smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccc2F)CC1 ZINC000225473610 291386195 /nfs/dbraw/zinc/38/61/95/291386195.db2.gz NHQCZUWPNLXUPG-UHFFFAOYSA-N 1 1 437.584 4.324 40 0 biogenic,in-vitro IIABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2cn(C)c3ccccc23)n1 ZINC000035424933 523967016 /nfs/dbraw/zinc/96/70/16/523967016.db2.gz AMKWUEHBQZRZDR-NRFANRHFSA-N 1 1 432.528 4.019 40 0 biogenic,in-vitro IIABMO O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408576896 555927674 /nfs/dbraw/zinc/92/76/74/555927674.db2.gz YPMDKFUOVISREJ-WYMLVPIESA-N 1 1 431.561 4.179 40 0 IIABMO COc1ccc(C(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408604034 555973381 /nfs/dbraw/zinc/97/33/81/555973381.db2.gz CVXDNGRVVNCXHW-IBGZPJMESA-N 1 1 429.358 4.121 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c(OC)c1 ZINC000009933429 556316800 /nfs/dbraw/zinc/31/68/00/556316800.db2.gz LCJQCOAFKBGZLJ-XMMPIXPASA-N 1 1 436.596 4.397 40 0 IIABMO CCOc1cc(CCC(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)on1 ZINC000012088136 556401250 /nfs/dbraw/zinc/40/12/50/556401250.db2.gz ADTMDNBDWHVVFI-QGZVFWFLSA-N 1 1 439.560 4.270 40 0 IIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2N(C)C3=O)c1 ZINC000514288834 556625061 /nfs/dbraw/zinc/62/50/61/556625061.db2.gz CAUWXPMTFRJSHV-NOZRDPDXSA-N 1 1 432.495 4.219 40 0 biogenic,in-vitro IIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2N(C)C3=O)c1 ZINC000514288834 556625063 /nfs/dbraw/zinc/62/50/63/556625063.db2.gz CAUWXPMTFRJSHV-NOZRDPDXSA-N 1 1 432.495 4.219 40 0 biogenic,in-vitro IIABMO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038854684 556625385 /nfs/dbraw/zinc/62/53/85/556625385.db2.gz QREUDKFTJOTBSO-IBGZPJMESA-N 1 1 425.960 4.427 40 0 IIABMO O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855878 556625636 /nfs/dbraw/zinc/62/56/36/556625636.db2.gz IHXGUWWHOLLCID-LJQANCHMSA-N 1 1 435.499 4.199 40 0 IIABMO O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855879 556625807 /nfs/dbraw/zinc/62/58/07/556625807.db2.gz IHXGUWWHOLLCID-IBGZPJMESA-N 1 1 435.499 4.199 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000044840684 556668336 /nfs/dbraw/zinc/66/83/36/556668336.db2.gz DHUFWRUFESBZBG-UHFFFAOYSA-N 1 1 428.330 4.255 40 0 IIABMO O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014727 556691855 /nfs/dbraw/zinc/69/18/55/556691855.db2.gz VYKBLEKZNOKEIC-LJQANCHMSA-N 1 1 426.605 4.159 40 0 IIABMO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000019017800 556692723 /nfs/dbraw/zinc/69/27/23/556692723.db2.gz WAQGPIIHPDJFTR-QFIPXVFZSA-N 1 1 448.394 4.148 40 0 IIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1 ZINC000019022489 556694293 /nfs/dbraw/zinc/69/42/93/556694293.db2.gz MQMMEEPMHFMYHA-KNQAVFIVSA-N 1 1 445.485 4.400 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000019081887 556696692 /nfs/dbraw/zinc/69/66/92/556696692.db2.gz BWUHHFMUGQHLPG-AUSIDOKSSA-N 1 1 425.573 4.214 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213582 556702594 /nfs/dbraw/zinc/70/25/94/556702594.db2.gz CIEWXJZIELZWTK-AHKZPQOWSA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213582 556702597 /nfs/dbraw/zinc/70/25/97/556702597.db2.gz CIEWXJZIELZWTK-AHKZPQOWSA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213583 556702632 /nfs/dbraw/zinc/70/26/32/556702632.db2.gz CIEWXJZIELZWTK-BDYUSTAISA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213583 556702633 /nfs/dbraw/zinc/70/26/33/556702633.db2.gz CIEWXJZIELZWTK-BDYUSTAISA-N 1 1 434.580 4.344 40 0 IIABMO O=C1O[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)CN1Cc1ccc(F)cc1 ZINC000257213612 556702668 /nfs/dbraw/zinc/70/26/68/556702668.db2.gz CIIKLVYGTASGHS-SANMLTNESA-N 1 1 447.510 4.397 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244619 556710776 /nfs/dbraw/zinc/71/07/76/556710776.db2.gz IMCMMOVBELFYBH-JTHBVZDNSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244619 556710779 /nfs/dbraw/zinc/71/07/79/556710779.db2.gz IMCMMOVBELFYBH-JTHBVZDNSA-N 1 1 448.485 4.484 40 0 IIABMO Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019220408 556715124 /nfs/dbraw/zinc/71/51/24/556715124.db2.gz ZXSKBAOOEAWDQF-NRFANRHFSA-N 1 1 448.567 4.267 40 0 IIABMO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019400289 556753294 /nfs/dbraw/zinc/75/32/94/556753294.db2.gz IENKDIJMTSADLM-LSQMVHIFSA-N 1 1 433.502 4.490 40 0 IIABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[nH]c2=O)C1 ZINC000019448359 556758075 /nfs/dbraw/zinc/75/80/75/556758075.db2.gz ZOAMMLWETAHBNF-LJQANCHMSA-N 1 1 440.613 4.256 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495983 556768816 /nfs/dbraw/zinc/76/88/16/556768816.db2.gz PKXMERRELUUPNN-RKOYOZNISA-N 1 1 426.605 4.363 40 0 IIABMO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@@H+](Cc3ccccc3-n3cccn3)C[C@H]21 ZINC000019520110 556775835 /nfs/dbraw/zinc/77/58/35/556775835.db2.gz BRSSIVOGBYFBLL-WIOPSUGQSA-N 1 1 444.579 4.398 40 0 IIABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)c2sccn12 ZINC000019523101 556780575 /nfs/dbraw/zinc/78/05/75/556780575.db2.gz JZZGEWOSOLKOMC-QGZVFWFLSA-N 1 1 434.569 4.455 40 0 IIABMO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000001373145 556785662 /nfs/dbraw/zinc/78/56/62/556785662.db2.gz RJRFDRTWQBNEQF-UHFFFAOYSA-N 1 1 446.555 4.053 40 0 IIABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000001373145 556785665 /nfs/dbraw/zinc/78/56/65/556785665.db2.gz RJRFDRTWQBNEQF-UHFFFAOYSA-N 1 1 446.555 4.053 40 0 IIABMO CCOc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cc1 ZINC000019533281 556793266 /nfs/dbraw/zinc/79/32/66/556793266.db2.gz YGYNLQQKHDYYME-DEOSSOPVSA-N 1 1 429.564 4.280 40 0 IIABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccc(OC(F)F)c(OC)c4)[C@H]3C2)cc1 ZINC000019553159 556796987 /nfs/dbraw/zinc/79/69/87/556796987.db2.gz FDDXBKQMNVSXLS-QUCCMNQESA-N 1 1 446.494 4.042 40 0 IIABMO Cc1noc2nc([C@H]3CCCN(C(=O)CCCn4cc[nH+]c4C)C3)cc(C(F)(F)F)c12 ZINC000019563858 556804535 /nfs/dbraw/zinc/80/45/35/556804535.db2.gz QTVABLQCQLYIMZ-HNNXBMFYSA-N 1 1 435.450 4.241 40 0 IIABMO COc1ccccc1CNC(=O)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019570813 556811137 /nfs/dbraw/zinc/81/11/37/556811137.db2.gz DQCZCHHERKMGDK-UHFFFAOYSA-N 1 1 441.478 4.271 40 0 IIABMO CC[C@@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@H+]1CC ZINC000004217035 556820889 /nfs/dbraw/zinc/82/08/89/556820889.db2.gz AELTZOPKAFPBLU-UTKZUKDTSA-N 1 1 428.646 4.104 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000019694841 556851110 /nfs/dbraw/zinc/85/11/10/556851110.db2.gz FVWWONODGVOKSY-FQEVSTJZSA-N 1 1 433.556 4.349 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000019694841 556851115 /nfs/dbraw/zinc/85/11/15/556851115.db2.gz FVWWONODGVOKSY-FQEVSTJZSA-N 1 1 433.556 4.349 40 0 IIABMO O=C(c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)N1CCc2ccccc2C1 ZINC000408868477 556874122 /nfs/dbraw/zinc/87/41/22/556874122.db2.gz MRCOCIULDNCMHY-UHFFFAOYSA-N 1 1 425.576 4.203 40 0 IIABMO C[NH+]1CCC(Nc2[nH]nc3nc([C@@H]4CCCN(C(=O)CC5CCCCC5)C4)ccc32)CC1 ZINC000019742916 556887214 /nfs/dbraw/zinc/88/72/14/556887214.db2.gz CLTSZRVXUUHTHN-LJQANCHMSA-N 1 1 438.620 4.140 40 0 IIABMO O=C(Nc1nccs1)c1cncnc1CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000019757207 556901418 /nfs/dbraw/zinc/90/14/18/556901418.db2.gz VUMWIUOHIITQCL-UHFFFAOYSA-N 1 1 445.951 4.433 40 0 IIABMO CN(C)C(=O)c1cc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759689 556903373 /nfs/dbraw/zinc/90/33/73/556903373.db2.gz OWCIFCIOFIDGEJ-RUZDIDTESA-N 1 1 426.520 4.058 40 0 IIABMO CN(C)C(=O)c1cc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759689 556903376 /nfs/dbraw/zinc/90/33/76/556903376.db2.gz OWCIFCIOFIDGEJ-RUZDIDTESA-N 1 1 426.520 4.058 40 0 IIABMO O=C(NCCO)c1cc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc2ccccc21 ZINC000019761881 556905662 /nfs/dbraw/zinc/90/56/62/556905662.db2.gz IJJPUBDYKFRTIC-OAHLLOKOSA-N 1 1 444.362 4.253 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000072330600 556906476 /nfs/dbraw/zinc/90/64/76/556906476.db2.gz FTXLTNVPTQTJCI-XGRCMKMKSA-N 1 1 431.939 4.123 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000072330600 556906481 /nfs/dbraw/zinc/90/64/81/556906481.db2.gz FTXLTNVPTQTJCI-XGRCMKMKSA-N 1 1 431.939 4.123 40 0 IIABMO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000072335306 556907965 /nfs/dbraw/zinc/90/79/65/556907965.db2.gz RAZNZCDJPFHABZ-BJLQDIEVSA-N 1 1 432.568 4.186 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072337786 556910720 /nfs/dbraw/zinc/91/07/20/556910720.db2.gz SUIIRPWYWVEHST-UZLBHIALSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072337786 556910724 /nfs/dbraw/zinc/91/07/24/556910724.db2.gz SUIIRPWYWVEHST-UZLBHIALSA-N 1 1 428.508 4.200 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1 ZINC000072354236 556929633 /nfs/dbraw/zinc/92/96/33/556929633.db2.gz DORATSJMDJICSV-HSZRJFAPSA-N 1 1 434.559 4.478 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371467 556939195 /nfs/dbraw/zinc/93/91/95/556939195.db2.gz XWLZHMBMEWFDJQ-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371467 556939200 /nfs/dbraw/zinc/93/92/00/556939200.db2.gz XWLZHMBMEWFDJQ-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371467 556939203 /nfs/dbraw/zinc/93/92/03/556939203.db2.gz XWLZHMBMEWFDJQ-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371746 556940770 /nfs/dbraw/zinc/94/07/70/556940770.db2.gz MWLAKFLDGQUJBF-QGZVFWFLSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371746 556940773 /nfs/dbraw/zinc/94/07/73/556940773.db2.gz MWLAKFLDGQUJBF-QGZVFWFLSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371746 556940775 /nfs/dbraw/zinc/94/07/75/556940775.db2.gz MWLAKFLDGQUJBF-QGZVFWFLSA-N 1 1 425.964 4.135 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000019932041 556949019 /nfs/dbraw/zinc/94/90/19/556949019.db2.gz JFLFGHNBLAQFRC-UHFFFAOYSA-N 1 1 434.721 4.292 40 0 IIABMO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000409415156 557110300 /nfs/dbraw/zinc/11/03/00/557110300.db2.gz VSSYIVJWTHVJSH-FKCCAMBISA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000263586562 557147026 /nfs/dbraw/zinc/14/70/26/557147026.db2.gz VSSYIVJWTHVJSH-RDMBEQIISA-N 1 1 432.568 4.121 40 0 IIABMO CC(C)CN1[C@H]2CC[N@H+](Cc3cccc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145768 557175397 /nfs/dbraw/zinc/17/53/97/557175397.db2.gz OUHMDFFFDFXWFF-SFTDATJTSA-N 1 1 449.016 4.412 40 0 IIABMO CC(C)CN1[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145768 557175402 /nfs/dbraw/zinc/17/54/02/557175402.db2.gz OUHMDFFFDFXWFF-SFTDATJTSA-N 1 1 449.016 4.412 40 0 IIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2Cl)CC1 ZINC000008832666 557177850 /nfs/dbraw/zinc/17/78/50/557177850.db2.gz MSURLIAHIPPMOK-UHFFFAOYSA-N 1 1 445.844 4.299 40 0 IIABMO Cc1ncsc1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268813 557209812 /nfs/dbraw/zinc/20/98/12/557209812.db2.gz KLRNRGXAGLFQEN-VXKWHMMOSA-N 1 1 444.984 4.351 40 0 IIABMO CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017097656 557227026 /nfs/dbraw/zinc/22/70/26/557227026.db2.gz KVIVITOPUJENTR-UHFFFAOYSA-N 1 1 431.584 4.375 40 0 IIABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219239596 557232436 /nfs/dbraw/zinc/23/24/36/557232436.db2.gz CGOIFLLEEJIAPY-JPYJTQIMSA-N 1 1 428.598 4.203 40 0 IIABMO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c12 ZINC000057584835 557249874 /nfs/dbraw/zinc/24/98/74/557249874.db2.gz QXSMFAGUYZCFRZ-DEOSSOPVSA-N 1 1 442.567 4.225 40 0 IIABMO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)c(=O)[nH]c12 ZINC000057584835 557249876 /nfs/dbraw/zinc/24/98/76/557249876.db2.gz QXSMFAGUYZCFRZ-DEOSSOPVSA-N 1 1 442.567 4.225 40 0 IIABMO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225269774 557707529 /nfs/dbraw/zinc/70/75/29/557707529.db2.gz VSAARENOZODHHA-INIZCTEOSA-N 1 1 435.351 4.162 40 0 IIABMO Cc1cnn(CCOc2ccc(C[N@H+]3CCC[C@](O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585274634 568618674 /nfs/dbraw/zinc/61/86/74/568618674.db2.gz XVZFANVFFFPHCV-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201499 568665835 /nfs/dbraw/zinc/66/58/35/568665835.db2.gz AHXQQVAKUYXRLP-URXFXBBRSA-N 1 1 435.616 4.394 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@H](Cc3cccc4ncccc34)C2)c1 ZINC000257241608 568684410 /nfs/dbraw/zinc/68/44/10/568684410.db2.gz HYRMOUFFLNOIIG-JOCHJYFZSA-N 1 1 440.547 4.119 40 0 IIABMO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257251738 568689273 /nfs/dbraw/zinc/68/92/73/568689273.db2.gz JRYPLQBRMMXIRZ-HXUWFJFHSA-N 1 1 439.506 4.382 40 0 IIABMO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257251738 568689274 /nfs/dbraw/zinc/68/92/74/568689274.db2.gz JRYPLQBRMMXIRZ-HXUWFJFHSA-N 1 1 439.506 4.382 40 0 IIABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4ccc5[nH]c(C)nc5c4)CCO3)c2)s1 ZINC000257259606 568692887 /nfs/dbraw/zinc/69/28/87/568692887.db2.gz KZCAXTKSERMLFK-NRFANRHFSA-N 1 1 448.552 4.297 40 0 IIABMO COc1cccc2cc(CNc3cc(-c4cn[nH]c4[C@@H]4CCN(C(C)=O)C4)ccn3)oc21 ZINC000257264137 568695046 /nfs/dbraw/zinc/69/50/46/568695046.db2.gz LTBWCROSZGSIRH-GOSISDBHSA-N 1 1 431.496 4.174 40 0 IIABMO CCOc1ccc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)cc1CO ZINC000257267382 568696446 /nfs/dbraw/zinc/69/64/46/568696446.db2.gz MHBFWTSGUNEMOL-SFHVURJKSA-N 1 1 438.593 4.484 40 0 IIABMO Cc1ccccc1C[N@@H+]1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 ZINC000257322576 568721041 /nfs/dbraw/zinc/72/10/41/568721041.db2.gz WGNXPHFESJDUKH-JOCHJYFZSA-N 1 1 433.600 4.101 40 0 IIABMO COc1cccc(C)c1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 ZINC000257328230 568723606 /nfs/dbraw/zinc/72/36/06/568723606.db2.gz XESUOXLFPDENJZ-UHFFFAOYSA-N 1 1 449.530 4.494 40 0 IIABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257329662 568724142 /nfs/dbraw/zinc/72/41/42/568724142.db2.gz XKXLWTXNFBRYJO-JOCHJYFZSA-N 1 1 447.562 4.076 40 0 IIABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257329662 568724145 /nfs/dbraw/zinc/72/41/45/568724145.db2.gz XKXLWTXNFBRYJO-JOCHJYFZSA-N 1 1 447.562 4.076 40 0 IIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1OC ZINC000306129394 568765691 /nfs/dbraw/zinc/76/56/91/568765691.db2.gz IBVUJMWXVRLBQE-HXUWFJFHSA-N 1 1 429.524 4.188 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306130525 568766168 /nfs/dbraw/zinc/76/61/68/568766168.db2.gz JIXJFMVXUNTGMK-AHWVRZQESA-N 1 1 447.966 4.132 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCCN(Cc1cccnc1)C2=O ZINC000306132462 568767436 /nfs/dbraw/zinc/76/74/36/568767436.db2.gz LJYWAOAIRWOFTI-WIOPSUGQSA-N 1 1 449.624 4.329 40 0 IIABMO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329046090 568810238 /nfs/dbraw/zinc/81/02/38/568810238.db2.gz TZXLZSUUQPCWKR-IBGZPJMESA-N 1 1 433.394 4.354 40 0 IIABMO C[NH+](C)CCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329052675 568810582 /nfs/dbraw/zinc/81/05/82/568810582.db2.gz VECPRWBMSYDFQX-UHFFFAOYSA-N 1 1 432.355 4.107 40 0 IIABMO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000253410929 568920050 /nfs/dbraw/zinc/92/00/50/568920050.db2.gz NYFNOLMYHKOVBN-BBVKZKKFSA-N 1 1 432.568 4.121 40 0 IIABMO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198808 568921685 /nfs/dbraw/zinc/92/16/85/568921685.db2.gz IXXDWTWTRRMKFM-XBLPNDSKSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198808 568921686 /nfs/dbraw/zinc/92/16/86/568921686.db2.gz IXXDWTWTRRMKFM-XBLPNDSKSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198808 568921688 /nfs/dbraw/zinc/92/16/88/568921688.db2.gz IXXDWTWTRRMKFM-XBLPNDSKSA-N 1 1 428.580 4.211 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000248152709 569207335 /nfs/dbraw/zinc/20/73/35/569207335.db2.gz UVHMCUBZXAOWPH-GWJPWWOOSA-N 1 1 443.538 4.144 40 0 IIABMO C[C@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000253607079 569209181 /nfs/dbraw/zinc/20/91/81/569209181.db2.gz RAZNZCDJPFHABZ-WSTZPKSXSA-N 1 1 432.568 4.186 40 0 IIABMO O=C(NCCCN1CCc2ccccc21)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009062752 569219563 /nfs/dbraw/zinc/21/95/63/569219563.db2.gz QYIYJJXNZDRCPF-UHFFFAOYSA-N 1 1 429.967 4.260 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235412 569224872 /nfs/dbraw/zinc/22/48/72/569224872.db2.gz IKQAXIIUWAIAGU-HFZDXXHNSA-N 1 1 438.568 4.034 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000019577342 569227161 /nfs/dbraw/zinc/22/71/61/569227161.db2.gz XKQSCTLRMDHXOT-ATIYNZHBSA-N 1 1 444.579 4.485 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1F ZINC000019696256 569229699 /nfs/dbraw/zinc/22/96/99/569229699.db2.gz CEMWNLVPSPRWAT-XMMPIXPASA-N 1 1 441.572 4.481 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C1)CO2 ZINC000019704674 569233683 /nfs/dbraw/zinc/23/36/83/569233683.db2.gz RGHSTAWBIOUUPD-SFHVURJKSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3cc(COc4ccccc4F)n[nH]3)C1)CO2 ZINC000019704674 569233685 /nfs/dbraw/zinc/23/36/85/569233685.db2.gz RGHSTAWBIOUUPD-SFHVURJKSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](c3cc(COc4ccccc4F)n[nH]3)C1)CO2 ZINC000019704674 569233687 /nfs/dbraw/zinc/23/36/87/569233687.db2.gz RGHSTAWBIOUUPD-SFHVURJKSA-N 1 1 435.499 4.402 40 0 IIABMO CCc1ncc(C[N@@H+]2CCC[C@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cn1 ZINC000019705369 569234101 /nfs/dbraw/zinc/23/41/01/569234101.db2.gz QXEDFLUIZFAKHH-XMMPIXPASA-N 1 1 438.597 4.257 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cn1 ZINC000019705369 569234102 /nfs/dbraw/zinc/23/41/02/569234102.db2.gz QXEDFLUIZFAKHH-XMMPIXPASA-N 1 1 438.597 4.257 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019739000 569236286 /nfs/dbraw/zinc/23/62/86/569236286.db2.gz UTVGSIOIVJOBPH-HXUWFJFHSA-N 1 1 442.563 4.359 40 0 IIABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857024 569249325 /nfs/dbraw/zinc/24/93/25/569249325.db2.gz CGOIFLLEEJIAPY-FDDCHVKYSA-N 1 1 428.598 4.203 40 0 IIABMO CCOC(=O)c1c(NC(=O)C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2cc(OC)ccc2n1C ZINC000009109790 569293836 /nfs/dbraw/zinc/29/38/36/569293836.db2.gz RZZYYEPAEZYLPZ-LMKMVOKYSA-N 1 1 441.572 4.203 40 0 IIABMO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000009510594 569297088 /nfs/dbraw/zinc/29/70/88/569297088.db2.gz UZPHINACJLIIRP-LBKNJMOBSA-N 1 1 443.330 4.137 40 0 IIABMO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000009510594 569297089 /nfs/dbraw/zinc/29/70/89/569297089.db2.gz UZPHINACJLIIRP-LBKNJMOBSA-N 1 1 443.330 4.137 40 0 IIABMO COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCC[N@H+]2CCc2ccccc2)cc1 ZINC000019752114 569328442 /nfs/dbraw/zinc/32/84/42/569328442.db2.gz PPSPJPBUNBMSFP-XMMPIXPASA-N 1 1 430.552 4.103 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@H]3CC[N@@H+](Cc4ccccc4C)C3)nc2C)c1 ZINC000019757938 569328718 /nfs/dbraw/zinc/32/87/18/569328718.db2.gz WDPRPGVCIFNJPJ-QFIPXVFZSA-N 1 1 430.552 4.022 40 0 IIABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CCCc2ccccc2)C1)c1ccc(F)cc1 ZINC000004236234 291385798 /nfs/dbraw/zinc/38/57/98/291385798.db2.gz XJUNBSLBWAGXKY-RBBKRZOGSA-N 1 1 445.538 4.292 40 0 biogenic,in-vitro IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000012711734 521633726 /nfs/dbraw/zinc/63/37/26/521633726.db2.gz LXKKQTBIVFZNGZ-HSZRJFAPSA-N 1 1 432.568 4.033 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012711753 521653069 /nfs/dbraw/zinc/65/30/69/521653069.db2.gz BYZLHDXGZGEVNA-QFIPXVFZSA-N 1 1 448.567 4.364 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235416 525537049 /nfs/dbraw/zinc/53/70/49/525537049.db2.gz IKQAXIIUWAIAGU-LVXARBLLSA-N 1 1 438.568 4.034 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000012157791 526874202 /nfs/dbraw/zinc/87/42/02/526874202.db2.gz SUIIRPWYWVEHST-OXQOHEQNSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000012157791 526874208 /nfs/dbraw/zinc/87/42/08/526874208.db2.gz SUIIRPWYWVEHST-OXQOHEQNSA-N 1 1 428.508 4.200 40 0 IIABMO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503203 527448204 /nfs/dbraw/zinc/44/82/04/527448204.db2.gz VPPAIKUIYGKQFD-FUHWJXTLSA-N 1 1 432.545 4.435 40 0 biogenic,in-vitro IIABMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042187 555508892 /nfs/dbraw/zinc/50/88/92/555508892.db2.gz VPBLXOLTDCARML-BUKPSGGLSA-N 1 1 439.943 4.236 40 0 IIABMO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000038831258 556621605 /nfs/dbraw/zinc/62/16/05/556621605.db2.gz ZHIYVHFTADLBTQ-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856925 556672690 /nfs/dbraw/zinc/67/26/90/556672690.db2.gz NITZGWKLTPEWQY-KNQAVFIVSA-N 1 1 449.016 4.223 40 0 IIABMO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044906870 556680139 /nfs/dbraw/zinc/68/01/39/556680139.db2.gz VMBBNBOEBRRFCT-UHFFFAOYSA-N 1 1 445.401 4.419 40 0 IIABMO O=C1O[C@]2(CC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccc(F)cc1 ZINC000257207297 556702021 /nfs/dbraw/zinc/70/20/21/556702021.db2.gz BHDGLMNLWZFSLP-SANMLTNESA-N 1 1 447.510 4.397 40 0 IIABMO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCC[N@H+]3CCCC[C@H]3C)CCCO2)c1 ZINC000257218451 556703372 /nfs/dbraw/zinc/70/33/72/556703372.db2.gz DDFGDFAMEXDXDS-JIPXPUAJSA-N 1 1 436.596 4.445 40 0 IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133420 556705046 /nfs/dbraw/zinc/70/50/46/556705046.db2.gz ACLNHLSHFOFFLO-HXUWFJFHSA-N 1 1 446.599 4.174 40 0 IIABMO Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208486 556708294 /nfs/dbraw/zinc/70/82/94/556708294.db2.gz PPKUEFAROCEDNC-QHCPKHFHSA-N 1 1 448.611 4.433 40 0 IIABMO COc1ccc([C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1 ZINC000257225419 556708328 /nfs/dbraw/zinc/70/83/28/556708328.db2.gz FGCWHJOXAQQQIE-RUZDIDTESA-N 1 1 431.536 4.075 40 0 IIABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1 ZINC000257225419 556708329 /nfs/dbraw/zinc/70/83/29/556708329.db2.gz FGCWHJOXAQQQIE-RUZDIDTESA-N 1 1 431.536 4.075 40 0 IIABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257280930 556714958 /nfs/dbraw/zinc/71/49/58/556714958.db2.gz OMZHIFRCXCSWCF-MHZLTWQESA-N 1 1 429.564 4.283 40 0 IIABMO O=C1O[C@@]2(CC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000257310940 556718543 /nfs/dbraw/zinc/71/85/43/556718543.db2.gz UHGRFBQODVIEEH-AREMUKBSSA-N 1 1 429.520 4.258 40 0 IIABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]c2=O)C1 ZINC000019448389 556757872 /nfs/dbraw/zinc/75/78/72/556757872.db2.gz JZUUDJGJNSRILY-QFIPXVFZSA-N 1 1 434.584 4.124 40 0 IIABMO CC1CC[NH+](CC(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)CC1 ZINC000019496888 556769012 /nfs/dbraw/zinc/76/90/12/556769012.db2.gz AXEULKUTGSYPKD-UHFFFAOYSA-N 1 1 438.597 4.170 40 0 IIABMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000019499500 556771536 /nfs/dbraw/zinc/77/15/36/556771536.db2.gz OBWPIEQNTSOJDY-UAGQMJEPSA-N 1 1 443.558 4.311 40 0 IIABMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000019499500 556771538 /nfs/dbraw/zinc/77/15/38/556771538.db2.gz OBWPIEQNTSOJDY-UAGQMJEPSA-N 1 1 443.558 4.311 40 0 IIABMO CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000019523329 556780843 /nfs/dbraw/zinc/78/08/43/556780843.db2.gz LWHWNXGCFIUGCL-VWLOTQADSA-N 1 1 434.609 4.338 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527723 556787347 /nfs/dbraw/zinc/78/73/47/556787347.db2.gz FIJBYNDKJBHENP-DEOSSOPVSA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527723 556787350 /nfs/dbraw/zinc/78/73/50/556787350.db2.gz FIJBYNDKJBHENP-DEOSSOPVSA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2ccccc2OC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527762 556787527 /nfs/dbraw/zinc/78/75/27/556787527.db2.gz VEZHDCUNBRBFSU-XMMPIXPASA-N 1 1 429.564 4.280 40 0 IIABMO O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001380499 556796654 /nfs/dbraw/zinc/79/66/54/556796654.db2.gz NPHWEHHCZUWRIM-UHFFFAOYSA-N 1 1 437.853 4.379 40 0 IIABMO Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)cc2c1C ZINC000019576805 556815170 /nfs/dbraw/zinc/81/51/70/556815170.db2.gz YHTBWGKKGTVZDA-JOCHJYFZSA-N 1 1 433.556 4.024 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019584431 556821963 /nfs/dbraw/zinc/82/19/63/556821963.db2.gz NMHYYQFUVHYOJC-FQEVSTJZSA-N 1 1 433.556 4.001 40 0 IIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591317 556826512 /nfs/dbraw/zinc/82/65/12/556826512.db2.gz QHVLJZOLQGTWFR-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000008586313 556841763 /nfs/dbraw/zinc/84/17/63/556841763.db2.gz SDACTFXNGMCQLR-QFIPXVFZSA-N 1 1 438.616 4.474 40 0 IIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3ccc(C)cc3OC)c2)cn1 ZINC000019691000 556846915 /nfs/dbraw/zinc/84/69/15/556846915.db2.gz YLNAWKBAUAAMHP-XMMPIXPASA-N 1 1 430.552 4.466 40 0 IIABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(C3CCCCC3)c3ccccc13)C(=O)CC2 ZINC000019703788 556862512 /nfs/dbraw/zinc/86/25/12/556862512.db2.gz MVIFERRSOXUDHA-UHFFFAOYSA-N 1 1 431.584 4.486 40 0 IIABMO CN(Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)C)n1)CC(c1ccccc1)c1ccccc1 ZINC000019710047 556871976 /nfs/dbraw/zinc/87/19/76/556871976.db2.gz LVZIGMQAFQWRCB-HSZRJFAPSA-N 1 1 429.612 4.274 40 0 IIABMO CN(CCc1ccccn1)c1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000072341932 556914404 /nfs/dbraw/zinc/91/44/04/556914404.db2.gz CEWDUDLAQNXDFK-UHFFFAOYSA-N 1 1 436.563 4.171 40 0 IIABMO CN(CCc1ccccn1)c1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000072341932 556914407 /nfs/dbraw/zinc/91/44/07/556914407.db2.gz CEWDUDLAQNXDFK-UHFFFAOYSA-N 1 1 436.563 4.171 40 0 IIABMO COc1ccc2c(c1)c([C@H](O)C[N@H+]1CCC[C@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000072343228 556914914 /nfs/dbraw/zinc/91/49/14/556914914.db2.gz NYJGQVOZZSASPR-ILBGXUMGSA-N 1 1 426.532 4.042 40 0 IIABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(-c4ccccc4)cc2)C3)C[C@H](C)O1 ZINC000072347282 556918344 /nfs/dbraw/zinc/91/83/44/556918344.db2.gz VQAXYGNMBLDPEQ-OALUTQOASA-N 1 1 430.552 4.021 40 0 IIABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(-c4ccccc4)cc2)C3)C[C@H](C)O1 ZINC000072347282 556918346 /nfs/dbraw/zinc/91/83/46/556918346.db2.gz VQAXYGNMBLDPEQ-OALUTQOASA-N 1 1 430.552 4.021 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000072352294 556923654 /nfs/dbraw/zinc/92/36/54/556923654.db2.gz MFXGURZAGWPOGB-SFHVURJKSA-N 1 1 438.597 4.180 40 0 IIABMO COc1ccc(CCN2C(=O)Cc3c2nc([C@@H]2CCC[N@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072355730 556930468 /nfs/dbraw/zinc/93/04/68/556930468.db2.gz SMVHIYSWBFIZDX-OAQYLSRUSA-N 1 1 448.611 4.438 40 0 IIABMO CC(=O)NCc1cnc([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356160 556930803 /nfs/dbraw/zinc/93/08/03/556930803.db2.gz PQAZWVPVBWETDZ-HXUWFJFHSA-N 1 1 425.426 4.092 40 0 IIABMO CC(=O)NCc1cnc([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356160 556930805 /nfs/dbraw/zinc/93/08/05/556930805.db2.gz PQAZWVPVBWETDZ-HXUWFJFHSA-N 1 1 425.426 4.092 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1CC(=O)N1CCCCC1 ZINC000072370507 556934984 /nfs/dbraw/zinc/93/49/84/556934984.db2.gz MLYVKDAYADEIID-SFHVURJKSA-N 1 1 427.614 4.013 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1c1cc(C)[nH+]c(C)n1 ZINC000072370550 556935259 /nfs/dbraw/zinc/93/52/59/556935259.db2.gz KBMBNVDDZGGKPR-SFHVURJKSA-N 1 1 438.597 4.286 40 0 IIABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370732 556936369 /nfs/dbraw/zinc/93/63/69/556936369.db2.gz XWAYTHFEVIEPFV-GOSISDBHSA-N 1 1 437.613 4.104 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371468 556938863 /nfs/dbraw/zinc/93/88/63/556938863.db2.gz XWLZHMBMEWFDJQ-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371468 556938867 /nfs/dbraw/zinc/93/88/67/556938867.db2.gz XWLZHMBMEWFDJQ-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371468 556938870 /nfs/dbraw/zinc/93/88/70/556938870.db2.gz XWLZHMBMEWFDJQ-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO COc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372683 556943748 /nfs/dbraw/zinc/94/37/48/556943748.db2.gz SDENRWDTEDHZLQ-JOCHJYFZSA-N 1 1 447.539 4.453 40 0 IIABMO Cc1nc2ccccc2n1Cc1cc(NCC2(c3cccc(C)c3)CCOCC2)nc(N)[nH+]1 ZINC000072373288 556946108 /nfs/dbraw/zinc/94/61/08/556946108.db2.gz OCQVHOQCFOUBCJ-UHFFFAOYSA-N 1 1 442.567 4.234 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)c1 ZINC000072374348 556947987 /nfs/dbraw/zinc/94/79/87/556947987.db2.gz MZUIVDPDUUAHNJ-UHFFFAOYSA-N 1 1 445.567 4.067 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)c1 ZINC000072374348 556947989 /nfs/dbraw/zinc/94/79/89/556947989.db2.gz MZUIVDPDUUAHNJ-UHFFFAOYSA-N 1 1 445.567 4.067 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375511 556951608 /nfs/dbraw/zinc/95/16/08/556951608.db2.gz RCUBZIWPLNDWCU-JOCHJYFZSA-N 1 1 430.556 4.189 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375511 556951610 /nfs/dbraw/zinc/95/16/10/556951610.db2.gz RCUBZIWPLNDWCU-JOCHJYFZSA-N 1 1 430.556 4.189 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269383 556992552 /nfs/dbraw/zinc/99/25/52/556992552.db2.gz MPSPTACRODZUPH-GGAORHGYSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269383 556992554 /nfs/dbraw/zinc/99/25/54/556992554.db2.gz MPSPTACRODZUPH-GGAORHGYSA-N 1 1 448.485 4.484 40 0 IIABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 ZINC000585102099 557035576 /nfs/dbraw/zinc/03/55/76/557035576.db2.gz RKMWZHXELSAGDK-AREMUKBSSA-N 1 1 432.568 4.391 40 0 IIABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 ZINC000585102099 557035581 /nfs/dbraw/zinc/03/55/81/557035581.db2.gz RKMWZHXELSAGDK-AREMUKBSSA-N 1 1 432.568 4.391 40 0 IIABMO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]21)c1cccs1 ZINC000585110044 557042536 /nfs/dbraw/zinc/04/25/36/557042536.db2.gz ATQIMSHMHQZXCZ-LEWJYISDSA-N 1 1 431.561 4.172 40 0 IIABMO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@H]45)[C@H]32)cc1 ZINC000409415158 557110325 /nfs/dbraw/zinc/11/03/25/557110325.db2.gz VSSYIVJWTHVJSH-VYVQKFEUSA-N 1 1 432.568 4.121 40 0 IIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+](C)C1CCCCC1 ZINC000006149289 557146385 /nfs/dbraw/zinc/14/63/85/557146385.db2.gz ZJGNJORENDPVFE-OAQYLSRUSA-N 1 1 438.576 4.022 40 0 IIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+](C)C1CCCCC1 ZINC000006149289 557146390 /nfs/dbraw/zinc/14/63/90/557146390.db2.gz ZJGNJORENDPVFE-OAQYLSRUSA-N 1 1 438.576 4.022 40 0 IIABMO CC(C)[NH+]1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1 ZINC000096037832 557165433 /nfs/dbraw/zinc/16/54/33/557165433.db2.gz XTXCPLYBIIAXAK-UHFFFAOYSA-N 1 1 434.471 4.455 40 0 IIABMO C[N@H+]1CCCN(C(=O)c2cc(-c3csc(COc4ccccc4)n3)n3ccccc23)CC1 ZINC000096154891 557179013 /nfs/dbraw/zinc/17/90/13/557179013.db2.gz DSWISPRLMNUFLV-UHFFFAOYSA-N 1 1 446.576 4.420 40 0 IIABMO COc1cc(OC)cc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000218890408 557220214 /nfs/dbraw/zinc/22/02/14/557220214.db2.gz NPYYHHDNWNKUBB-UHFFFAOYSA-N 1 1 446.547 4.016 40 0 IIABMO Fc1cccc(COc2ccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)cc2)c1 ZINC000022931488 557274954 /nfs/dbraw/zinc/27/49/54/557274954.db2.gz QRVPRFUPKPVDPQ-UHFFFAOYSA-N 1 1 435.543 4.134 40 0 IIABMO Fc1cccc(COc2ccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)cc2)c1 ZINC000022931488 557274955 /nfs/dbraw/zinc/27/49/55/557274955.db2.gz QRVPRFUPKPVDPQ-UHFFFAOYSA-N 1 1 435.543 4.134 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000222759305 557383512 /nfs/dbraw/zinc/38/35/12/557383512.db2.gz VMSYGKHGSHOQCA-KQWNVCNZSA-N 1 1 440.503 4.169 40 0 IIABMO O=C(CCc1ccc(F)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355237 557387366 /nfs/dbraw/zinc/38/73/66/557387366.db2.gz DQAVHNPGCGPDGC-XMMPIXPASA-N 1 1 431.555 4.357 40 0 IIABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2c(F)c(F)c(OC)c(F)c2F)CC1 ZINC000014273708 557433284 /nfs/dbraw/zinc/43/32/84/557433284.db2.gz WQSKFQNYHFXGFJ-UHFFFAOYSA-N 1 1 445.844 4.299 40 0 IIABMO CCCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004577397 557541984 /nfs/dbraw/zinc/54/19/84/557541984.db2.gz VOIDCPDDVXAFDG-FQEVSTJZSA-N 1 1 435.634 4.071 40 0 IIABMO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224545022 557619800 /nfs/dbraw/zinc/61/98/00/557619800.db2.gz YWRVYQDLEMHUKP-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000224547824 557620746 /nfs/dbraw/zinc/62/07/46/557620746.db2.gz XDXJJPYOHKCTLK-UHFFFAOYSA-N 1 1 445.401 4.419 40 0 IIABMO Cc1ccn(CCOc2ccc(C[N@H+]3CCC[C@@](O)(COc4ccc(C)cc4)CC3)cc2)n1 ZINC000585272955 568618058 /nfs/dbraw/zinc/61/80/58/568618058.db2.gz LQNIOAAKYYYPDL-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO Cc1cccc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)c1 ZINC000257202972 568666678 /nfs/dbraw/zinc/66/66/78/568666678.db2.gz AOCMLZKBMIHDEE-JOCHJYFZSA-N 1 1 447.627 4.491 40 0 IIABMO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000257207757 568668508 /nfs/dbraw/zinc/66/85/08/568668508.db2.gz BJCHEVLTMBCNCP-QFIPXVFZSA-N 1 1 425.479 4.339 40 0 IIABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000257207757 568668512 /nfs/dbraw/zinc/66/85/12/568668512.db2.gz BJCHEVLTMBCNCP-QFIPXVFZSA-N 1 1 425.479 4.339 40 0 IIABMO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257225516 568676727 /nfs/dbraw/zinc/67/67/27/568676727.db2.gz FGNZEIORJWOGMR-OAHLLOKOSA-N 1 1 430.430 4.492 40 0 IIABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257225516 568676730 /nfs/dbraw/zinc/67/67/30/568676730.db2.gz FGNZEIORJWOGMR-OAHLLOKOSA-N 1 1 430.430 4.492 40 0 IIABMO Cn1cc(CN2CCO[C@H](c3cc(CCOc4ccccc4)[nH]n3)C2)c2cc(F)ccc21 ZINC000257225576 568676788 /nfs/dbraw/zinc/67/67/88/568676788.db2.gz FGUQYXJHDTWZIZ-VWLOTQADSA-N 1 1 434.515 4.236 40 0 IIABMO COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)C1 ZINC000257234224 568681019 /nfs/dbraw/zinc/68/10/19/568681019.db2.gz GSRINAMFNBKVBA-HXUWFJFHSA-N 1 1 438.553 4.429 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2cccc3ncccc23)C1 ZINC000257234433 568681110 /nfs/dbraw/zinc/68/11/10/568681110.db2.gz GTNDFFITXXKVQU-OAQYLSRUSA-N 1 1 440.547 4.119 40 0 IIABMO C[N@@H+](CCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257234979 568681355 /nfs/dbraw/zinc/68/13/55/568681355.db2.gz GVVZYWRQNLLMNI-DEOSSOPVSA-N 1 1 449.986 4.301 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257260222 568693240 /nfs/dbraw/zinc/69/32/40/568693240.db2.gz LBVYNMAYTKSSIH-MRXNPFEDSA-N 1 1 445.489 4.458 40 0 IIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000257260222 568693241 /nfs/dbraw/zinc/69/32/41/568693241.db2.gz LBVYNMAYTKSSIH-MRXNPFEDSA-N 1 1 445.489 4.458 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000257260222 568693242 /nfs/dbraw/zinc/69/32/42/568693242.db2.gz LBVYNMAYTKSSIH-MRXNPFEDSA-N 1 1 445.489 4.458 40 0 IIABMO C[N@@H+](CC1CCCCCCC1)C1CCC2(CC1)CN(C(=O)CO)Cc1ccccc1O2 ZINC000257261759 568694187 /nfs/dbraw/zinc/69/41/87/568694187.db2.gz LIRXOGIGPGZEIL-UHFFFAOYSA-N 1 1 428.617 4.374 40 0 IIABMO Cc1nc([C@H]2CC[N@@H+](CCc3ccccc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000257267355 568696415 /nfs/dbraw/zinc/69/64/15/568696415.db2.gz MGXWSCHTFHJGTP-DEOSSOPVSA-N 1 1 440.591 4.339 40 0 IIABMO Cc1ccccc1C[N@H+]1CC[C@@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000257276960 568700912 /nfs/dbraw/zinc/70/09/12/568700912.db2.gz NVWYMRPNGYPJNC-HSZRJFAPSA-N 1 1 446.570 4.389 40 0 IIABMO C[N@@H+](CCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257295137 568708909 /nfs/dbraw/zinc/70/89/09/568708909.db2.gz QXDDELFGUZIAMR-XMMPIXPASA-N 1 1 449.986 4.301 40 0 IIABMO Cc1nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)c2)sc1C ZINC000257321142 568720412 /nfs/dbraw/zinc/72/04/12/568720412.db2.gz WAFNQSRSKGZPEK-OAQYLSRUSA-N 1 1 440.544 4.489 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257330565 568724694 /nfs/dbraw/zinc/72/46/94/568724694.db2.gz XOYGGPSZWBEYBW-LJQANCHMSA-N 1 1 433.531 4.188 40 0 IIABMO Cc1ncsc1C(=O)N1CCO[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257335525 568726746 /nfs/dbraw/zinc/72/67/46/568726746.db2.gz YKNZVAPPKKTYJR-KRWDZBQOSA-N 1 1 429.571 4.186 40 0 IIABMO Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)CCn3cc[nH+]c3C(C)C)n2)nc1 ZINC000257336343 568727117 /nfs/dbraw/zinc/72/71/17/568727117.db2.gz YOAJHJNCRSQXPK-NRFANRHFSA-N 1 1 446.555 4.111 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@H]23)cc1 ZINC000306124299 568763302 /nfs/dbraw/zinc/76/33/02/568763302.db2.gz BMEVGTMXBBBJPZ-XTEPFMGCSA-N 1 1 441.575 4.425 40 0 IIABMO O=C(Nc1ccccc1)c1nnc2n1CC[C@@H]1C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000306133659 568767891 /nfs/dbraw/zinc/76/78/91/568767891.db2.gz MSJWOUXTXWFIFV-APWZRJJASA-N 1 1 441.457 4.169 40 0 IIABMO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccc(F)c1)CC21CCN(c2ncccn2)CC1 ZINC000306134822 568768838 /nfs/dbraw/zinc/76/88/38/568768838.db2.gz NZBQQAMCVYMGSC-UHFFFAOYSA-N 1 1 434.563 4.256 40 0 IIABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccc(F)c1)CC21CCN(c2ncccn2)CC1 ZINC000306134822 568768840 /nfs/dbraw/zinc/76/88/40/568768840.db2.gz NZBQQAMCVYMGSC-UHFFFAOYSA-N 1 1 434.563 4.256 40 0 IIABMO CC(C)[C@@H](CO)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329053200 568810610 /nfs/dbraw/zinc/81/06/10/568810610.db2.gz VENJHEBPGSHICI-LJQANCHMSA-N 1 1 436.478 4.244 40 0 IIABMO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)cc2ccccc21 ZINC000257198529 568921751 /nfs/dbraw/zinc/92/17/51/568921751.db2.gz BKDVITVGXLIYEZ-JTKRFKOTSA-N 1 1 433.596 4.323 40 0 IIABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000514288988 568936830 /nfs/dbraw/zinc/93/68/30/568936830.db2.gz DSROGDIERVULIZ-VWNXMTODSA-N 1 1 438.449 4.488 40 0 biogenic,in-vitro IIABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000514288988 568936832 /nfs/dbraw/zinc/93/68/32/568936832.db2.gz DSROGDIERVULIZ-VWNXMTODSA-N 1 1 438.449 4.488 40 0 biogenic,in-vitro IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000247917550 569206487 /nfs/dbraw/zinc/20/64/87/569206487.db2.gz BOJYNDITWNBKRV-KDYSTLNUSA-N 1 1 428.580 4.318 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000248141247 569207359 /nfs/dbraw/zinc/20/73/59/569207359.db2.gz QFKOPQAROXMRJR-ZVDOUQERSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3sccc3C)C2)[N@H+](C)C1 ZINC000248141247 569207361 /nfs/dbraw/zinc/20/73/61/569207361.db2.gz QFKOPQAROXMRJR-ZVDOUQERSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000248141247 569207362 /nfs/dbraw/zinc/20/73/62/569207362.db2.gz QFKOPQAROXMRJR-ZVDOUQERSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235404 569224818 /nfs/dbraw/zinc/22/48/18/569224818.db2.gz IKQAXIIUWAIAGU-QFQXNSOFSA-N 1 1 438.568 4.034 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000019567058 569227089 /nfs/dbraw/zinc/22/70/89/569227089.db2.gz JWXNIWDAPSUJCI-PGRDOPGGSA-N 1 1 443.613 4.420 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000019551751 569227101 /nfs/dbraw/zinc/22/71/01/569227101.db2.gz CAXKFEMWOMWQSU-NTKDMRAZSA-N 1 1 434.515 4.008 40 0 IIABMO CC1=C(CC[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)C(C)(C)CCC1 ZINC000019693047 569228606 /nfs/dbraw/zinc/22/86/06/569228606.db2.gz MSWUISHJEPEPMQ-JOCHJYFZSA-N 1 1 436.604 4.290 40 0 IIABMO CC1=C(CC[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)C(C)(C)CCC1 ZINC000019693047 569228607 /nfs/dbraw/zinc/22/86/07/569228607.db2.gz MSWUISHJEPEPMQ-JOCHJYFZSA-N 1 1 436.604 4.290 40 0 IIABMO NC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000019702612 569232170 /nfs/dbraw/zinc/23/21/70/569232170.db2.gz CVVCMOWZFHTMNR-GOSISDBHSA-N 1 1 444.560 4.359 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704897 569233672 /nfs/dbraw/zinc/23/36/72/569233672.db2.gz PQQRYASNSKCZRR-DEOSSOPVSA-N 1 1 441.572 4.481 40 0 IIABMO CNc1cc(C[N@H+](C)Cc2ccc(OC3CCCC3)cc2)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759968 569237494 /nfs/dbraw/zinc/23/74/94/569237494.db2.gz KKCOYHDNFVXZQW-HSZRJFAPSA-N 1 1 437.588 4.155 40 0 IIABMO CNc1cc(C[N@@H+](C)Cc2ccc(OC3CCCC3)cc2)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759968 569237495 /nfs/dbraw/zinc/23/74/95/569237495.db2.gz KKCOYHDNFVXZQW-HSZRJFAPSA-N 1 1 437.588 4.155 40 0 IIABMO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855509 569249287 /nfs/dbraw/zinc/24/92/87/569249287.db2.gz AQNZQDWAZCGMJZ-AVRDEDQJSA-N 1 1 426.532 4.465 40 0 IIABMO O=C(C[NH+]1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 ZINC000019744872 569328412 /nfs/dbraw/zinc/32/84/12/569328412.db2.gz DALRAMMINLUVSD-XMMPIXPASA-N 1 1 437.559 4.305 40 0 IIABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)ncc2C(=O)NCc2ccccc2)cc1 ZINC000019766963 569329196 /nfs/dbraw/zinc/32/91/96/569329196.db2.gz OPXORTBETDKUDI-DEOSSOPVSA-N 1 1 430.552 4.451 40 0 IIABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)ncc2C(=O)NCc2ccccc2)cc1 ZINC000019766963 569329198 /nfs/dbraw/zinc/32/91/98/569329198.db2.gz OPXORTBETDKUDI-DEOSSOPVSA-N 1 1 430.552 4.451 40 0 IIABMO O=C1[C@@H]2C[C@@H](C[N@@H+]2CC2CC2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111958 291386239 /nfs/dbraw/zinc/38/62/39/291386239.db2.gz AZUUKILZPOGMAE-ICSRJNTNSA-N 1 1 432.442 4.364 40 0 biogenic,in-vitro IIABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CCCc2ccccc2)C1)c1cccs1 ZINC000004236235 291385796 /nfs/dbraw/zinc/38/57/96/291385796.db2.gz FNFMLAKIWLQIJL-VQTJNVASSA-N 1 1 433.577 4.214 40 0 biogenic,in-vitro IIABMO CC(=O)NCC1CCC(c2c3ccccc3sc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000072348375 519654074 /nfs/dbraw/zinc/65/40/74/519654074.db2.gz IYHVZVNMAXWBFO-UHFFFAOYSA-N 1 1 427.614 4.089 40 0 IIABMO CC(=O)NCC1CCC(c2c3ccccc3sc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000072348375 519654075 /nfs/dbraw/zinc/65/40/75/519654075.db2.gz IYHVZVNMAXWBFO-UHFFFAOYSA-N 1 1 427.614 4.089 40 0 IIABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](C/C(C)=C/c2ccccc2)C3)c(OCC)n1 ZINC000012181074 521611054 /nfs/dbraw/zinc/61/10/54/521611054.db2.gz AYTANAWLCYLAPA-HLTCHCCRSA-N 1 1 437.584 4.297 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635531 521653392 /nfs/dbraw/zinc/65/33/92/521653392.db2.gz JGBICDYUELOJES-QHCPKHFHSA-N 1 1 448.636 4.198 40 0 IIABMO COc1ccc([C@@H]2C[N@@H+](C/C=C\c3ccccc3OC)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000012163481 525256810 /nfs/dbraw/zinc/25/68/10/525256810.db2.gz QFAFNSMZCSIWFQ-YPLDTAFMSA-N 1 1 431.536 4.404 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000012157798 526873777 /nfs/dbraw/zinc/87/37/77/526873777.db2.gz SUIIRPWYWVEHST-OXJNMPFZSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000012157798 526873784 /nfs/dbraw/zinc/87/37/84/526873784.db2.gz SUIIRPWYWVEHST-OXJNMPFZSA-N 1 1 428.508 4.200 40 0 IIABMO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000001358892 555691861 /nfs/dbraw/zinc/69/18/61/555691861.db2.gz ILXPSQXNSHGZOS-UHFFFAOYSA-N 1 1 440.931 4.211 40 0 IIABMO COc1ccc(-c2cn(-c3ccc(I)cc3)c3nc[nH+]c(N)c23)cc1 ZINC000001609270 555705696 /nfs/dbraw/zinc/70/56/96/555705696.db2.gz ARNNFABBNWTICX-UHFFFAOYSA-N 1 1 442.260 4.283 40 0 IIABMO COc1ccc([C@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@H+]32)cc1O ZINC000003847183 555948434 /nfs/dbraw/zinc/94/84/34/555948434.db2.gz TYTIBYQBVJUCGJ-BAGYTPMASA-N 1 1 425.525 4.340 40 0 IIABMO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)c12 ZINC000036616412 556516585 /nfs/dbraw/zinc/51/65/85/556516585.db2.gz NBPXWVRYMHTIQM-UHFFFAOYSA-N 1 1 445.592 4.272 40 0 IIABMO COc1ccc(OC)c(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000034257707 556571860 /nfs/dbraw/zinc/57/18/60/556571860.db2.gz JILIKVVEDRWWEM-BJJLKGPWSA-N 1 1 427.614 4.296 40 0 IIABMO COc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000514289679 556623879 /nfs/dbraw/zinc/62/38/79/556623879.db2.gz NLIJQWOCZQTFIQ-OHSXHVKISA-N 1 1 448.538 4.331 40 0 biogenic,in-vitro IIABMO COc1cccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000514289679 556623881 /nfs/dbraw/zinc/62/38/81/556623881.db2.gz NLIJQWOCZQTFIQ-OHSXHVKISA-N 1 1 448.538 4.331 40 0 biogenic,in-vitro IIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2Cl)CC1 ZINC000016681547 556624171 /nfs/dbraw/zinc/62/41/71/556624171.db2.gz ILMPWHXBXZPDQR-DHZHZOJOSA-N 1 1 428.989 4.008 40 0 IIABMO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044907069 556680097 /nfs/dbraw/zinc/68/00/97/556680097.db2.gz XPRYHEVDXKPHMF-UHFFFAOYSA-N 1 1 445.401 4.419 40 0 IIABMO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000019017801 556692817 /nfs/dbraw/zinc/69/28/17/556692817.db2.gz WAQGPIIHPDJFTR-JOCHJYFZSA-N 1 1 448.394 4.148 40 0 IIABMO CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082353 556697426 /nfs/dbraw/zinc/69/74/26/556697426.db2.gz NLTGBYBPOLBEQY-JLSDUUJJSA-N 1 1 441.542 4.065 40 0 IIABMO CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082353 556697428 /nfs/dbraw/zinc/69/74/28/556697428.db2.gz NLTGBYBPOLBEQY-JLSDUUJJSA-N 1 1 441.542 4.065 40 0 IIABMO OC1(COc2ccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)CCCCC1 ZINC000257206487 556701913 /nfs/dbraw/zinc/70/19/13/556701913.db2.gz BDROZWSUZJGKSU-SANMLTNESA-N 1 1 425.569 4.167 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC2(C[C@H](Oc3ccccc3F)CO2)CC1 ZINC000257268972 556713479 /nfs/dbraw/zinc/71/34/79/556713479.db2.gz MOAKCPUBEQBEQN-NRFANRHFSA-N 1 1 449.526 4.222 40 0 IIABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000257280929 556714822 /nfs/dbraw/zinc/71/48/22/556714822.db2.gz OMZHIFRCXCSWCF-HHHXNRCGSA-N 1 1 429.564 4.283 40 0 IIABMO COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@H]3CCC[N@@H+](C)C3)CCOCC2)c1 ZINC000257283238 556715200 /nfs/dbraw/zinc/71/52/00/556715200.db2.gz OXKNRCGXEMQTHQ-QFIPXVFZSA-N 1 1 440.559 4.051 40 0 IIABMO Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019237085 556721957 /nfs/dbraw/zinc/72/19/57/556721957.db2.gz PTJOSJDZVBFFQI-DEOSSOPVSA-N 1 1 448.611 4.478 40 0 IIABMO O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019293558 556733256 /nfs/dbraw/zinc/73/32/56/556733256.db2.gz SAYQDOLDFAOJKE-JOCHJYFZSA-N 1 1 438.547 4.380 40 0 IIABMO O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343573 556741404 /nfs/dbraw/zinc/74/14/04/556741404.db2.gz IHSHDMQBWRFRTN-OAQYLSRUSA-N 1 1 440.613 4.024 40 0 IIABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)[nH]c2=O)C1 ZINC000019448375 556757982 /nfs/dbraw/zinc/75/79/82/556757982.db2.gz QLGGDAOKNFAGQM-HXUWFJFHSA-N 1 1 440.613 4.256 40 0 IIABMO CC(C)c1cc(C(=O)N2C[C@H](c3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCCC[C@H]32)on1 ZINC000019452976 556763607 /nfs/dbraw/zinc/76/36/07/556763607.db2.gz OWFJZCAKJIHYJE-CQOQZXRMSA-N 1 1 437.584 4.429 40 0 IIABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(-c4ccccc4)cc2)C3)C[C@H](C)O1 ZINC000019497596 556770344 /nfs/dbraw/zinc/77/03/44/556770344.db2.gz VQAXYGNMBLDPEQ-KDURUIRLSA-N 1 1 430.552 4.021 40 0 IIABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(-c4ccccc4)cc2)C3)C[C@H](C)O1 ZINC000019497596 556770346 /nfs/dbraw/zinc/77/03/46/556770346.db2.gz VQAXYGNMBLDPEQ-KDURUIRLSA-N 1 1 430.552 4.021 40 0 IIABMO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@@H+](Cc3c(C)nc4sccn34)C[C@H]21 ZINC000019520107 556775910 /nfs/dbraw/zinc/77/59/10/556775910.db2.gz QLXSNGALTPBDFJ-GHTZIAJQSA-N 1 1 438.597 4.230 40 0 IIABMO CCc1ncc(C[N@@H+]2CCC[C@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)cn1 ZINC000019523406 556780788 /nfs/dbraw/zinc/78/07/88/556780788.db2.gz OCTJHSMAOOQGQC-KRWDZBQOSA-N 1 1 430.474 4.346 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)cn1 ZINC000019523406 556780790 /nfs/dbraw/zinc/78/07/90/556780790.db2.gz OCTJHSMAOOQGQC-KRWDZBQOSA-N 1 1 430.474 4.346 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001378310 556795277 /nfs/dbraw/zinc/79/52/77/556795277.db2.gz UMKYGHJTVFXOLK-FQEVSTJZSA-N 1 1 436.531 4.494 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 ZINC000019580400 556818451 /nfs/dbraw/zinc/81/84/51/556818451.db2.gz ACGCITHTBDEAGW-MHZLTWQESA-N 1 1 429.564 4.280 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccc(OC)cc2F)C1 ZINC000019591279 556826479 /nfs/dbraw/zinc/82/64/79/556826479.db2.gz BLNLJHKVBBGNEM-MHZLTWQESA-N 1 1 447.554 4.467 40 0 IIABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@@H+]2Cc2c(C)cc(OC)c(C)c2C)n1 ZINC000019709758 556871164 /nfs/dbraw/zinc/87/11/64/556871164.db2.gz UPIPBJJCATXBSM-JOCHJYFZSA-N 1 1 439.604 4.158 40 0 IIABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@H+]2Cc2c(C)cc(OC)c(C)c2C)n1 ZINC000019709758 556871166 /nfs/dbraw/zinc/87/11/66/556871166.db2.gz UPIPBJJCATXBSM-JOCHJYFZSA-N 1 1 439.604 4.158 40 0 IIABMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccnc2N(C)C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711147 556875085 /nfs/dbraw/zinc/87/50/85/556875085.db2.gz ZWSHWCZJYJHVHQ-DEOSSOPVSA-N 1 1 447.558 4.257 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccnc2N(C)C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711147 556875088 /nfs/dbraw/zinc/87/50/88/556875088.db2.gz ZWSHWCZJYJHVHQ-DEOSSOPVSA-N 1 1 447.558 4.257 40 0 IIABMO Cc1nc(C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)nc2c1CCC(=O)N2C ZINC000019739494 556878171 /nfs/dbraw/zinc/87/81/71/556878171.db2.gz QWRDJKBRLNDLFF-UHFFFAOYSA-N 1 1 432.572 4.004 40 0 IIABMO CC(=O)N1CCC[C@@H]1c1nc2c(c(NCC3(c4ccccc4)CCCC3)n1)CC[N@@H+](C)C2 ZINC000019752906 556896476 /nfs/dbraw/zinc/89/64/76/556896476.db2.gz HCMLCGJOYGLLAO-HSZRJFAPSA-N 1 1 433.600 4.072 40 0 IIABMO CC(=O)N1CCC[C@@H]1c1nc2c(c(NCC3(c4ccccc4)CCCC3)n1)CC[N@H+](C)C2 ZINC000019752906 556896479 /nfs/dbraw/zinc/89/64/79/556896479.db2.gz HCMLCGJOYGLLAO-HSZRJFAPSA-N 1 1 433.600 4.072 40 0 IIABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758078 556901938 /nfs/dbraw/zinc/90/19/38/556901938.db2.gz IHNHYNKNDCIGDE-GOSISDBHSA-N 1 1 444.514 4.122 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000072330394 556905498 /nfs/dbraw/zinc/90/54/98/556905498.db2.gz PNFINCDYPJJPDZ-CPJSRVTESA-N 1 1 437.584 4.359 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000072330545 556906159 /nfs/dbraw/zinc/90/61/59/556906159.db2.gz BLUMNIDFEGVAGV-RLWLMLJZSA-N 1 1 445.563 4.482 40 0 IIABMO CNc1ncccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330516 556906301 /nfs/dbraw/zinc/90/63/01/556906301.db2.gz ZEPZIXAPDGWRED-CVDCTZTESA-N 1 1 433.531 4.041 40 0 IIABMO C=C1[NH+]=C(SCc2ccccc2)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991356 556911595 /nfs/dbraw/zinc/91/15/95/556911595.db2.gz QGWWNIXOKNGQBN-OAQYLSRUSA-N 1 1 426.538 4.475 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341427 556913673 /nfs/dbraw/zinc/91/36/73/556913673.db2.gz JWXNIWDAPSUJCI-GCJKJVERSA-N 1 1 443.613 4.420 40 0 IIABMO CC(C)[N@H+]1CC[C@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@H](C)C1 ZINC000072346996 556918025 /nfs/dbraw/zinc/91/80/25/556918025.db2.gz CNVRDTJIEDZNDR-IRLDBZIGSA-N 1 1 446.595 4.334 40 0 IIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000072351284 556921016 /nfs/dbraw/zinc/92/10/16/556921016.db2.gz UDYHQPIBEFZRHE-GHTZIAJQSA-N 1 1 445.558 4.153 40 0 IIABMO CNc1ncccc1C[N@H+]1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000072351973 556923052 /nfs/dbraw/zinc/92/30/52/556923052.db2.gz LSBXLNMLVNLWSX-KRWDZBQOSA-N 1 1 436.947 4.117 40 0 IIABMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NCCOC)C2)c1C ZINC000072352300 556923595 /nfs/dbraw/zinc/92/35/95/556923595.db2.gz WNLJDCVCUZOGAX-SFHVURJKSA-N 1 1 440.613 4.100 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352374 556923809 /nfs/dbraw/zinc/92/38/09/556923809.db2.gz KRYUMVJJGORDEX-OAHLLOKOSA-N 1 1 425.529 4.170 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352374 556923813 /nfs/dbraw/zinc/92/38/13/556923813.db2.gz KRYUMVJJGORDEX-OAHLLOKOSA-N 1 1 425.529 4.170 40 0 IIABMO Cc1ncc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000072352333 556923896 /nfs/dbraw/zinc/92/38/96/556923896.db2.gz BJGLNXCBMIDYAH-MRXNPFEDSA-N 1 1 427.595 4.128 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1c1cc(C)[nH+]c(C)n1 ZINC000072370549 556935289 /nfs/dbraw/zinc/93/52/89/556935289.db2.gz KBMBNVDDZGGKPR-GOSISDBHSA-N 1 1 438.597 4.286 40 0 IIABMO Cc1[nH+]ccn1CCC(=O)N1CCC([C@@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000072371982 556941658 /nfs/dbraw/zinc/94/16/58/556941658.db2.gz JVLAWNPMZAWBMT-AREMUKBSSA-N 1 1 436.600 4.039 40 0 IIABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2S(=O)(=O)CCCc2ccccc2)[nH+]1 ZINC000072372726 556944100 /nfs/dbraw/zinc/94/41/00/556944100.db2.gz AWJANBJYWXCCBH-QFIPXVFZSA-N 1 1 437.569 4.023 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(Nc4ncccn4)cc(C)n3)C1)OCCO2 ZINC000072375039 556950523 /nfs/dbraw/zinc/95/05/23/556950523.db2.gz MLCYNJKNOIMBTA-GOSISDBHSA-N 1 1 447.539 4.083 40 0 IIABMO CCOc1cc(C[N@H+]2C[C@@H](c3cn(C)c4ccc(OC)cc34)[C@H](N(C)C)C2)ccc1OC ZINC000072395540 556967383 /nfs/dbraw/zinc/96/73/83/556967383.db2.gz DDZXUCOPGZTEQQ-LADGPHEKSA-N 1 1 437.584 4.124 40 0 IIABMO CCOc1cc(C[N@@H+]2C[C@@H](c3cn(C)c4ccc(OC)cc34)[C@H](N(C)C)C2)ccc1OC ZINC000072395540 556967385 /nfs/dbraw/zinc/96/73/85/556967385.db2.gz DDZXUCOPGZTEQQ-LADGPHEKSA-N 1 1 437.584 4.124 40 0 IIABMO O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]21 ZINC000585109736 557041801 /nfs/dbraw/zinc/04/18/01/557041801.db2.gz MZHHQABZXXRARE-WRALFONMSA-N 1 1 426.507 4.168 40 0 IIABMO Cc1cccc(C[N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC(C)C)[C@H]3CC2)c1 ZINC000096145761 557175439 /nfs/dbraw/zinc/17/54/39/557175439.db2.gz AHLRTFWKIXQITQ-VXKWHMMOSA-N 1 1 428.598 4.067 40 0 IIABMO O=S1(=O)c2ccccc2O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]2N1CC1CC1 ZINC000096263962 557191564 /nfs/dbraw/zinc/19/15/64/557191564.db2.gz IKYPXPSFPRLCFG-SFTDATJTSA-N 1 1 447.000 4.166 40 0 IIABMO O=S1(=O)c2ccccc2O[C@H]2CC[N@H+](Cc3cccc(Cl)c3)CC[C@@H]2N1CC1CC1 ZINC000096263962 557191565 /nfs/dbraw/zinc/19/15/65/557191565.db2.gz IKYPXPSFPRLCFG-SFTDATJTSA-N 1 1 447.000 4.166 40 0 IIABMO Cc1noc(C)c1COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cc(C)cc(C)c3C)C2)cc1 ZINC000585268690 557207407 /nfs/dbraw/zinc/20/74/07/557207407.db2.gz FBZSBLVFXCRPCC-AHWVRZQESA-N 1 1 436.552 4.420 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585272676 557217290 /nfs/dbraw/zinc/21/72/90/557217290.db2.gz VJJYCZIJMXMNMN-MHZLTWQESA-N 1 1 449.595 4.457 40 0 IIABMO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000219423377 557244340 /nfs/dbraw/zinc/24/43/40/557244340.db2.gz KOOXWMVVUADHJP-UHFFFAOYSA-N 1 1 434.924 4.119 40 0 IIABMO Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928615 557271845 /nfs/dbraw/zinc/27/18/45/557271845.db2.gz YJEBJXKRTJCTKS-HSZRJFAPSA-N 1 1 436.991 4.349 40 0 IIABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222717101 557378774 /nfs/dbraw/zinc/37/87/74/557378774.db2.gz BVSRHMIUCXDKBB-OAHLLOKOSA-N 1 1 432.923 4.340 40 0 IIABMO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)c1 ZINC000072376856 557389065 /nfs/dbraw/zinc/38/90/65/557389065.db2.gz WMLPHZLSSNYFRR-OAQYLSRUSA-N 1 1 435.503 4.039 40 0 IIABMO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)c1 ZINC000072376856 557389068 /nfs/dbraw/zinc/38/90/68/557389068.db2.gz WMLPHZLSSNYFRR-OAQYLSRUSA-N 1 1 435.503 4.039 40 0 IIABMO COc1ccc(Cl)cc1S(=O)(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000223008331 557414681 /nfs/dbraw/zinc/41/46/81/557414681.db2.gz KGWKKTYRHPEKNS-UHFFFAOYSA-N 1 1 440.352 4.331 40 0 IIABMO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000224538872 557618423 /nfs/dbraw/zinc/61/84/23/557618423.db2.gz KAHITYJNJXUSAK-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCN(c2ccccc2F)CC1 ZINC000225578219 557746024 /nfs/dbraw/zinc/74/60/24/557746024.db2.gz ZPLSDMZSSYKTBE-UHFFFAOYSA-N 1 1 433.930 4.179 40 0 IIABMO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OC ZINC000225586445 557747650 /nfs/dbraw/zinc/74/76/50/557747650.db2.gz LMDDPENOBQMYHR-UHFFFAOYSA-N 1 1 448.966 4.457 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000225739910 557771107 /nfs/dbraw/zinc/77/11/07/557771107.db2.gz IGFLHGUBZAGMKY-KQWNVCNZSA-N 1 1 440.503 4.169 40 0 IIABMO CCOC(=O)c1cc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000225743781 557771754 /nfs/dbraw/zinc/77/17/54/557771754.db2.gz QIFBBQOJOXVWGX-UHFFFAOYSA-N 1 1 431.989 4.252 40 0 IIABMO O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225805018 557779287 /nfs/dbraw/zinc/77/92/87/557779287.db2.gz DQUSCXJJPUDQET-UHFFFAOYSA-N 1 1 444.457 4.032 40 0 IIABMO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000225904596 557789911 /nfs/dbraw/zinc/78/99/11/557789911.db2.gz BXEZSHVYHYUDHZ-NRFANRHFSA-N 1 1 439.987 4.356 40 0 IIABMO Cc1ccc(/C=C2/C(=O)N3c4ccccc4[C@]45CC[N@@H+]6CC7=CCO[C@@H]2[C@@H]([C@@H]34)[C@@H]7C[C@@H]65)cc1 ZINC000226047103 557802547 /nfs/dbraw/zinc/80/25/47/557802547.db2.gz GFIRKZRNWVSINQ-UZTYWDLOSA-N 1 1 436.555 4.094 40 0 IIABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H]3[C@@H](Cc4ccccc4Cl)CC[C@@H]3C2)cc1 ZINC000257203826 568667074 /nfs/dbraw/zinc/66/70/74/568667074.db2.gz ARUQPSGIGNLLHY-SFGWALBWSA-N 1 1 425.960 4.438 40 0 IIABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257225679 568676861 /nfs/dbraw/zinc/67/68/61/568676861.db2.gz FHHNYKADWKIOFZ-NRFANRHFSA-N 1 1 442.567 4.018 40 0 IIABMO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257230227 568679099 /nfs/dbraw/zinc/67/90/99/568679099.db2.gz GBJKAHLWXCNVCJ-QGZVFWFLSA-N 1 1 435.399 4.457 40 0 IIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257230227 568679101 /nfs/dbraw/zinc/67/91/01/568679101.db2.gz GBJKAHLWXCNVCJ-QGZVFWFLSA-N 1 1 435.399 4.457 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](Cc3cccn4ccnc34)CC2)c1 ZINC000257239744 568683781 /nfs/dbraw/zinc/68/37/81/568683781.db2.gz HQPZXHHOLPHATD-NRFANRHFSA-N 1 1 427.552 4.373 40 0 IIABMO Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)COc4ccccc4)CCO3)c2)sc1C ZINC000257287478 568705609 /nfs/dbraw/zinc/70/56/09/568705609.db2.gz PQDZFZAQPHNLCS-NRFANRHFSA-N 1 1 438.553 4.186 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccn3ccnc23)CC1 ZINC000257340339 568728762 /nfs/dbraw/zinc/72/87/62/568728762.db2.gz ZFPCLPAEUJKNMU-NRFANRHFSA-N 1 1 427.552 4.373 40 0 IIABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257340901 568728967 /nfs/dbraw/zinc/72/89/67/568728967.db2.gz ZHZZTKVSGFUSKG-LJQANCHMSA-N 1 1 434.588 4.150 40 0 IIABMO O=C(Nc1ccccc1)c1nnc2n1CC[C@H]1C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000306133660 568767989 /nfs/dbraw/zinc/76/79/89/568767989.db2.gz MSJWOUXTXWFIFV-LPHOPBHVSA-N 1 1 441.457 4.169 40 0 IIABMO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccc(F)cc1)CC21CCN(c2ncccn2)CC1 ZINC000306138093 568770443 /nfs/dbraw/zinc/77/04/43/568770443.db2.gz ROWAAJFMMTUZHX-UHFFFAOYSA-N 1 1 446.574 4.085 40 0 IIABMO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccc(F)cc1)CC21CCN(c2ncccn2)CC1 ZINC000306138093 568770445 /nfs/dbraw/zinc/77/04/45/568770445.db2.gz ROWAAJFMMTUZHX-UHFFFAOYSA-N 1 1 446.574 4.085 40 0 IIABMO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329039593 568810155 /nfs/dbraw/zinc/81/01/55/568810155.db2.gz RXPDHBYKJICOEX-IBGZPJMESA-N 1 1 438.494 4.490 40 0 IIABMO C[C@@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000248159032 569207436 /nfs/dbraw/zinc/20/74/36/569207436.db2.gz WSYMNBBJHPQMAU-SVFBPWRDSA-N 1 1 432.568 4.117 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000019555096 569226933 /nfs/dbraw/zinc/22/69/33/569226933.db2.gz BLUMNIDFEGVAGV-QFQXNSOFSA-N 1 1 445.563 4.482 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019570226 569226968 /nfs/dbraw/zinc/22/69/68/569226968.db2.gz KPSGNWCGUSETNL-YIXXDRMTSA-N 1 1 429.564 4.402 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000019567748 569227098 /nfs/dbraw/zinc/22/70/98/569227098.db2.gz FJRRBMMJYXDOIQ-GHTZIAJQSA-N 1 1 443.613 4.420 40 0 IIABMO Cc1ccc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1C ZINC000019702614 569232167 /nfs/dbraw/zinc/23/21/67/569232167.db2.gz FEDIDYVDMYQVEP-HXUWFJFHSA-N 1 1 435.593 4.375 40 0 IIABMO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NCc4ccccc4)n3)C2)CC1 ZINC000019705134 569233967 /nfs/dbraw/zinc/23/39/67/569233967.db2.gz WSNURJZVKBOBRX-OAQYLSRUSA-N 1 1 446.599 4.006 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1[C@H](Cc3ccccc3)C[C@@H]3NC(=O)CCCC[C@H]31)CO2 ZINC000019713885 569235732 /nfs/dbraw/zinc/23/57/32/569235732.db2.gz UAOROPNWOBGPFJ-PZUNEJSGSA-N 1 1 432.564 4.215 40 0 IIABMO COc1ccccc1NC(=O)c1cnc([C@H]2CC[N@@H+](Cc3ccc(C)cc3OC)C2)nc1C ZINC000019766095 569239160 /nfs/dbraw/zinc/23/91/60/569239160.db2.gz SNBYJGDFKORUTQ-FQEVSTJZSA-N 1 1 446.551 4.352 40 0 IIABMO O=C1CCCN1c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cc1 ZINC000019713784 569327827 /nfs/dbraw/zinc/32/78/27/569327827.db2.gz FHAZXGZPHGLUML-RPBOFIJWSA-N 1 1 449.570 4.498 40 0 IIABMO CC(C)NC(=O)c1cc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759633 569328676 /nfs/dbraw/zinc/32/86/76/569328676.db2.gz RBAKEYYGJGCRFG-AREMUKBSSA-N 1 1 440.547 4.495 40 0 IIABMO CC(C)NC(=O)c1cc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759633 569328677 /nfs/dbraw/zinc/32/86/77/569328677.db2.gz RBAKEYYGJGCRFG-AREMUKBSSA-N 1 1 440.547 4.495 40 0 IIABMO COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 ZINC000008635899 291383404 /nfs/dbraw/zinc/38/34/04/291383404.db2.gz JEAXPXKRWFVKBI-WPYKKVEZSA-N 1 1 445.567 4.095 40 0 biogenic,in-vitro IIABMO CC1=C[C@@H](C[N@@H+](C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 ZINC000035442679 520881207 /nfs/dbraw/zinc/88/12/07/520881207.db2.gz FLGFRJIKVGUPLG-FUDKSRODSA-N 1 1 426.605 4.124 40 0 biogenic,in-vitro IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012705855 521652969 /nfs/dbraw/zinc/65/29/69/521652969.db2.gz WNLDVXDNYWQOFM-QHCPKHFHSA-N 1 1 438.616 4.474 40 0 IIABMO COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000012712262 522729181 /nfs/dbraw/zinc/72/91/81/522729181.db2.gz ZEHOWGPSAOZJOW-UHFFFAOYSA-N 1 1 431.920 4.034 40 0 IIABMO COc1ccc([C@@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)c(OC)c1OC ZINC000005765723 556065139 /nfs/dbraw/zinc/06/51/39/556065139.db2.gz PZQFCJYFEVRMMG-UNGHYCQRSA-N 1 1 441.524 4.414 40 0 IIABMO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1c2ccccc2Sc2ccccc21 ZINC000015083026 556501661 /nfs/dbraw/zinc/50/16/61/556501661.db2.gz WHCWORKWGXXSEH-MSOLQXFVSA-N 1 1 429.545 4.097 40 0 IIABMO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1c2ccccc2Sc2ccccc21 ZINC000015083026 556501663 /nfs/dbraw/zinc/50/16/63/556501663.db2.gz WHCWORKWGXXSEH-MSOLQXFVSA-N 1 1 429.545 4.097 40 0 IIABMO COC(=O)c1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000034829118 556583150 /nfs/dbraw/zinc/58/31/50/556583150.db2.gz QTTNILQMGIGUOB-YVNJGZBMSA-N 1 1 425.598 4.065 40 0 IIABMO Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc(C)cc(N2CC[NH+](C)CC2)n1 ZINC000016283683 556597028 /nfs/dbraw/zinc/59/70/28/556597028.db2.gz JVDPLSMDSLQLRD-UHFFFAOYSA-N 1 1 443.960 4.086 40 0 IIABMO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038853759 556625484 /nfs/dbraw/zinc/62/54/84/556625484.db2.gz SVCVXWLLBBGDIZ-UHFFFAOYSA-N 1 1 431.330 4.071 40 0 IIABMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038857186 556625718 /nfs/dbraw/zinc/62/57/18/556625718.db2.gz JYNPBSKIFDBRPP-HXUWFJFHSA-N 1 1 429.967 4.348 40 0 IIABMO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855507 556671689 /nfs/dbraw/zinc/67/16/89/556671689.db2.gz AQNZQDWAZCGMJZ-GCJKJVERSA-N 1 1 426.532 4.465 40 0 IIABMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044912640 556681384 /nfs/dbraw/zinc/68/13/84/556681384.db2.gz DEHADGHJBGPOBV-UHFFFAOYSA-N 1 1 431.374 4.376 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000019081778 556696425 /nfs/dbraw/zinc/69/64/25/556696425.db2.gz HREILENEUGTJQZ-NBGIEHNGSA-N 1 1 449.595 4.482 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 ZINC000257323344 556704485 /nfs/dbraw/zinc/70/44/85/556704485.db2.gz WJTURLHADOUUQM-XMMPIXPASA-N 1 1 436.596 4.302 40 0 IIABMO Cc1ccn(CCCOc2ccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)n1 ZINC000257229305 556709002 /nfs/dbraw/zinc/70/90/02/556709002.db2.gz FXOSWYZSNRBUBA-AREMUKBSSA-N 1 1 435.568 4.067 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC2(C[C@@H](Oc3ccccc3F)CO2)CC1 ZINC000257268973 556713528 /nfs/dbraw/zinc/71/35/28/556713528.db2.gz MOAKCPUBEQBEQN-OAQYLSRUSA-N 1 1 449.526 4.222 40 0 IIABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236205 556720731 /nfs/dbraw/zinc/72/07/31/556720731.db2.gz TZFTVNCSJOVSCL-NLFFAJNJSA-N 1 1 430.552 4.177 40 0 IIABMO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019370219 556747460 /nfs/dbraw/zinc/74/74/60/556747460.db2.gz RACWTOWUZKAZOW-QHCPKHFHSA-N 1 1 434.584 4.169 40 0 IIABMO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019400286 556752897 /nfs/dbraw/zinc/75/28/97/556752897.db2.gz QQGMRGZBONHIIC-LSQMVHIFSA-N 1 1 433.502 4.490 40 0 IIABMO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019447336 556756620 /nfs/dbraw/zinc/75/66/20/556756620.db2.gz SRYJXBZCLKBVJP-MHZLTWQESA-N 1 1 428.580 4.351 40 0 IIABMO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019447334 556756719 /nfs/dbraw/zinc/75/67/19/556756719.db2.gz SRYJXBZCLKBVJP-HHHXNRCGSA-N 1 1 428.580 4.351 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502831 556773958 /nfs/dbraw/zinc/77/39/58/556773958.db2.gz XNHNQQNKVIPPOO-RUZDIDTESA-N 1 1 428.580 4.365 40 0 IIABMO CCOc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019533727 556793510 /nfs/dbraw/zinc/79/35/10/556793510.db2.gz AWUGXADCSKFDOY-INIZCTEOSA-N 1 1 434.462 4.453 40 0 IIABMO COc1ccc(OC)c2[nH]c(=O)c(CNc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc12 ZINC000019552915 556796755 /nfs/dbraw/zinc/79/67/55/556796755.db2.gz AMSVCZAHNYDSFI-UHFFFAOYSA-N 1 1 447.539 4.020 40 0 IIABMO O=C(N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccs1 ZINC000002137508 556799103 /nfs/dbraw/zinc/79/91/03/556799103.db2.gz RVESFUQJOGLCIX-IOASZLSFSA-N 1 1 425.809 4.455 40 0 IIABMO COc1cccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c1OC1CCCC1 ZINC000019568170 556808214 /nfs/dbraw/zinc/80/82/14/556808214.db2.gz RTPKOERAPSICRB-WNCULLNHSA-N 1 1 449.595 4.440 40 0 IIABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019585263 556822421 /nfs/dbraw/zinc/82/24/21/556822421.db2.gz YWXPYBRUCHAHJO-OAQYLSRUSA-N 1 1 433.556 4.349 40 0 IIABMO COc1cccc(OC)c1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000004620439 556823111 /nfs/dbraw/zinc/82/31/11/556823111.db2.gz KIFUJLYRJFEHPQ-UHFFFAOYSA-N 1 1 428.920 4.052 40 0 IIABMO COc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(Cc4cccc(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587686 556824166 /nfs/dbraw/zinc/82/41/66/556824166.db2.gz VBBJXKKVJZYQLL-HYBUGGRVSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587686 556824168 /nfs/dbraw/zinc/82/41/68/556824168.db2.gz VBBJXKKVJZYQLL-HYBUGGRVSA-N 1 1 425.548 4.005 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(OC)c4)cn3)C2)cn1 ZINC000019690233 556845677 /nfs/dbraw/zinc/84/56/77/556845677.db2.gz NDZUEMMVDGXDKU-HSZRJFAPSA-N 1 1 432.568 4.040 40 0 IIABMO Cc1cc(Cc2ccc(F)cc2)cc(C2CC[NH+](CC(=O)NCc3ccccn3)CC2)n1 ZINC000019691665 556847149 /nfs/dbraw/zinc/84/71/49/556847149.db2.gz GEOBWZBZAQTWAQ-UHFFFAOYSA-N 1 1 432.543 4.011 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695799 556852733 /nfs/dbraw/zinc/85/27/33/556852733.db2.gz NWUKRZBEGDHGKF-NRFANRHFSA-N 1 1 445.542 4.178 40 0 IIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)CC4CCCCC4)nc32)c1 ZINC000019698631 556857488 /nfs/dbraw/zinc/85/74/88/556857488.db2.gz RTBYJKCHADAWRV-UHFFFAOYSA-N 1 1 436.600 4.328 40 0 IIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)CC4CCCCC4)nc32)c1 ZINC000019698631 556857491 /nfs/dbraw/zinc/85/74/91/556857491.db2.gz RTBYJKCHADAWRV-UHFFFAOYSA-N 1 1 436.600 4.328 40 0 IIABMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1 ZINC000019705868 556863366 /nfs/dbraw/zinc/86/33/66/556863366.db2.gz ZYZSFMRFXICEDK-QGZVFWFLSA-N 1 1 449.530 4.335 40 0 IIABMO O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019752767 556896328 /nfs/dbraw/zinc/89/63/28/556896328.db2.gz ZHSBDNMKWRDOCD-QFIPXVFZSA-N 1 1 432.543 4.358 40 0 IIABMO Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)[nH+]1 ZINC000019758601 556902345 /nfs/dbraw/zinc/90/23/45/556902345.db2.gz YGDREOSQCCQJDB-QFIPXVFZSA-N 1 1 447.583 4.047 40 0 IIABMO CC(C)CNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cccnc3N(C)C)C2)nc2ccccc21 ZINC000019761837 556905595 /nfs/dbraw/zinc/90/55/95/556905595.db2.gz DAFFFHJXRKHREF-LJQANCHMSA-N 1 1 431.584 4.071 40 0 IIABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000072334614 556907263 /nfs/dbraw/zinc/90/72/63/556907263.db2.gz INZAHODLQOEWDL-OXUKXLDXSA-N 1 1 446.576 4.064 40 0 IIABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000072334614 556907266 /nfs/dbraw/zinc/90/72/66/556907266.db2.gz INZAHODLQOEWDL-OXUKXLDXSA-N 1 1 446.576 4.064 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072337790 556910781 /nfs/dbraw/zinc/91/07/81/556910781.db2.gz DJXUQURBNQRDRV-UZLBHIALSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072337790 556910784 /nfs/dbraw/zinc/91/07/84/556910784.db2.gz DJXUQURBNQRDRV-UZLBHIALSA-N 1 1 428.508 4.200 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000072341429 556913602 /nfs/dbraw/zinc/91/36/02/556913602.db2.gz FJRRBMMJYXDOIQ-NQIIRXRSSA-N 1 1 443.613 4.420 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000072346224 556917807 /nfs/dbraw/zinc/91/78/07/556917807.db2.gz WVYCPXFQOBEZIU-KRWDZBQOSA-N 1 1 442.489 4.477 40 0 IIABMO COc1cc(C(=O)Nc2ccc(CC[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)cc(OC)c1OC ZINC000072346995 556918043 /nfs/dbraw/zinc/91/80/43/556918043.db2.gz RLMMNYBLPACGEX-MJGOQNOKSA-N 1 1 426.557 4.485 40 0 IIABMO CC(C)[N@H+]1CC[C@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@@H](C)C1 ZINC000072346997 556918066 /nfs/dbraw/zinc/91/80/66/556918066.db2.gz CNVRDTJIEDZNDR-UNMCSNQZSA-N 1 1 446.595 4.334 40 0 IIABMO C[C@H](CCc1ccccc1)NC(=O)C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000072347916 556919237 /nfs/dbraw/zinc/91/92/37/556919237.db2.gz RFYSNFJXOUVPHZ-QGZVFWFLSA-N 1 1 441.959 4.022 40 0 IIABMO Cc1ncc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000072352332 556923862 /nfs/dbraw/zinc/92/38/62/556923862.db2.gz BJGLNXCBMIDYAH-INIZCTEOSA-N 1 1 427.595 4.128 40 0 IIABMO C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000072352570 556924457 /nfs/dbraw/zinc/92/44/57/556924457.db2.gz QUYKWECGYXBSHK-IBGZPJMESA-N 1 1 430.577 4.479 40 0 IIABMO O=C(C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371244 556937911 /nfs/dbraw/zinc/93/79/11/556937911.db2.gz VXAXVTSIHSLIGC-INIZCTEOSA-N 1 1 442.922 4.252 40 0 IIABMO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371244 556937914 /nfs/dbraw/zinc/93/79/14/556937914.db2.gz VXAXVTSIHSLIGC-INIZCTEOSA-N 1 1 442.922 4.252 40 0 IIABMO CCn1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(OC)cc4)n[nH]3)C2)nc2ccccc21 ZINC000072371455 556938617 /nfs/dbraw/zinc/93/86/17/556938617.db2.gz GFBHRCKDOQMRGZ-IBGZPJMESA-N 1 1 445.567 4.399 40 0 IIABMO CCn1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(OC)cc4)[nH]n3)C2)nc2ccccc21 ZINC000072371455 556938620 /nfs/dbraw/zinc/93/86/20/556938620.db2.gz GFBHRCKDOQMRGZ-IBGZPJMESA-N 1 1 445.567 4.399 40 0 IIABMO CCn1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(OC)cc4)[nH]n3)C2)nc2ccccc21 ZINC000072371455 556938624 /nfs/dbraw/zinc/93/86/24/556938624.db2.gz GFBHRCKDOQMRGZ-IBGZPJMESA-N 1 1 445.567 4.399 40 0 IIABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072374770 556948903 /nfs/dbraw/zinc/94/89/03/556948903.db2.gz ZEHHEAZNMCSFKJ-NRFANRHFSA-N 1 1 434.971 4.135 40 0 IIABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072374770 556948905 /nfs/dbraw/zinc/94/89/05/556948905.db2.gz ZEHHEAZNMCSFKJ-NRFANRHFSA-N 1 1 434.971 4.135 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3ccc(F)cn3)n2)c1 ZINC000072375859 556953183 /nfs/dbraw/zinc/95/31/83/556953183.db2.gz VUJRLPGSIFFAQO-JOCHJYFZSA-N 1 1 449.530 4.163 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3ccc(F)cn3)n2)c1 ZINC000072375859 556953186 /nfs/dbraw/zinc/95/31/86/556953186.db2.gz VUJRLPGSIFFAQO-JOCHJYFZSA-N 1 1 449.530 4.163 40 0 IIABMO COCc1ccc(OC)c(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000072389768 556959811 /nfs/dbraw/zinc/95/98/11/556959811.db2.gz IMGHBSPUVOLNHC-MRXNPFEDSA-N 1 1 434.462 4.201 40 0 IIABMO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)c1[nH]nc2c1CCCC2 ZINC000072393386 556964351 /nfs/dbraw/zinc/96/43/51/556964351.db2.gz QIHCJIPVOSTYGD-UHFFFAOYSA-N 1 1 426.992 4.258 40 0 IIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cnc(C)n2C)C1 ZINC000072394072 556965636 /nfs/dbraw/zinc/96/56/36/556965636.db2.gz DZHMNSVQUMSABO-VWLOTQADSA-N 1 1 436.556 4.080 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000072398664 556970178 /nfs/dbraw/zinc/97/01/78/556970178.db2.gz XKQSCTLRMDHXOT-NVQXNPDNSA-N 1 1 444.579 4.485 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000072398587 556970207 /nfs/dbraw/zinc/97/02/07/556970207.db2.gz ZJQDQLLDDBJSPI-AVRDEDQJSA-N 1 1 425.573 4.214 40 0 IIABMO O=C(Cc1cccc(F)c1)N1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc12 ZINC000585105719 557037482 /nfs/dbraw/zinc/03/74/82/557037482.db2.gz CJRMFMXKEZITBF-UHFFFAOYSA-N 1 1 429.539 4.339 40 0 IIABMO COc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CC[NH+](C(C)C)CC5)cc43)co2)c1 ZINC000096037844 557165462 /nfs/dbraw/zinc/16/54/62/557165462.db2.gz CHGWCBCHPRTALS-UHFFFAOYSA-N 1 1 446.507 4.325 40 0 IIABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3ccsc3)C2)N1Cc1ccc(F)cc1 ZINC000096143160 557169863 /nfs/dbraw/zinc/16/98/63/557169863.db2.gz IMSPCZYSQISDQE-QFIPXVFZSA-N 1 1 428.554 4.193 40 0 IIABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3ccsc3)C2)N1Cc1ccc(F)cc1 ZINC000096143160 557169865 /nfs/dbraw/zinc/16/98/65/557169865.db2.gz IMSPCZYSQISDQE-QFIPXVFZSA-N 1 1 428.554 4.193 40 0 IIABMO CCc1ccccc1NC(=O)C[N@@H+]1[C@H](c2cccc(OC)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000585262111 557200419 /nfs/dbraw/zinc/20/04/19/557200419.db2.gz GSJRKLPYGBXVTI-DPZBCOQUSA-N 1 1 449.595 4.461 40 0 IIABMO CCc1ccccc1NC(=O)C[N@H+]1[C@H](c2cccc(OC)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000585262111 557200421 /nfs/dbraw/zinc/20/04/21/557200421.db2.gz GSJRKLPYGBXVTI-DPZBCOQUSA-N 1 1 449.595 4.461 40 0 IIABMO Cc1nccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585271508 557213320 /nfs/dbraw/zinc/21/33/20/557213320.db2.gz AILSDGDDCFMRTN-AREMUKBSSA-N 1 1 435.568 4.067 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585270394 557214308 /nfs/dbraw/zinc/21/43/08/557214308.db2.gz CHRLZKUZDUBACY-AREMUKBSSA-N 1 1 435.568 4.067 40 0 IIABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000013565783 557343373 /nfs/dbraw/zinc/34/33/73/557343373.db2.gz SDAMDMXSFVBDCX-UHFFFAOYSA-N 1 1 440.613 4.478 40 0 IIABMO COc1ccc(CCC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072353549 557387137 /nfs/dbraw/zinc/38/71/37/557387137.db2.gz NBKJNVWBNRUFAV-VWLOTQADSA-N 1 1 443.591 4.226 40 0 IIABMO COc1ccc(CCC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000072353550 557387465 /nfs/dbraw/zinc/38/74/65/557387465.db2.gz NBKJNVWBNRUFAV-RUZDIDTESA-N 1 1 443.591 4.226 40 0 IIABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C ZINC000224548033 557620761 /nfs/dbraw/zinc/62/07/61/557620761.db2.gz OGPBWLWYTMHRTF-UHFFFAOYSA-N 1 1 445.401 4.473 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 ZINC000225385356 557717244 /nfs/dbraw/zinc/71/72/44/557717244.db2.gz MKGUMYZWVPMCRS-JLPGSUDCSA-N 1 1 440.503 4.169 40 0 IIABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225520673 557734924 /nfs/dbraw/zinc/73/49/24/557734924.db2.gz QUXYXPSLAMSIBK-UHFFFAOYSA-N 1 1 426.532 4.377 40 0 IIABMO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@]4(C)O3 ZINC000253504107 560037826 /nfs/dbraw/zinc/03/78/26/560037826.db2.gz CQJSMSATJDJBEL-LRRPSTFASA-N 1 1 439.596 4.028 40 0 biogenic,in-vitro IIABMO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)c1C ZINC000257201048 568665445 /nfs/dbraw/zinc/66/54/45/568665445.db2.gz AFYZUACHISNESY-SANMLTNESA-N 1 1 445.563 4.355 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)c1C ZINC000257201048 568665448 /nfs/dbraw/zinc/66/54/48/568665448.db2.gz AFYZUACHISNESY-SANMLTNESA-N 1 1 445.563 4.355 40 0 IIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257208735 568669199 /nfs/dbraw/zinc/66/91/99/568669199.db2.gz BNKRCPGUTBMLMZ-OAQYLSRUSA-N 1 1 449.990 4.497 40 0 IIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257208735 568669201 /nfs/dbraw/zinc/66/92/01/568669201.db2.gz BNKRCPGUTBMLMZ-OAQYLSRUSA-N 1 1 449.990 4.497 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)nc2)n1 ZINC000257233045 568680388 /nfs/dbraw/zinc/68/03/88/568680388.db2.gz GNMJZITUGZNBFD-XMMPIXPASA-N 1 1 428.540 4.297 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)nc2)n1 ZINC000257233045 568680390 /nfs/dbraw/zinc/68/03/90/568680390.db2.gz GNMJZITUGZNBFD-XMMPIXPASA-N 1 1 428.540 4.297 40 0 IIABMO C[N@@H+](CCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257234980 568681628 /nfs/dbraw/zinc/68/16/28/568681628.db2.gz GVVZYWRQNLLMNI-XMMPIXPASA-N 1 1 449.986 4.301 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257243309 568685224 /nfs/dbraw/zinc/68/52/24/568685224.db2.gz IGHXUMIMRSTAPJ-HXUWFJFHSA-N 1 1 433.531 4.188 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCN(C)[C@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248668 568687909 /nfs/dbraw/zinc/68/79/09/568687909.db2.gz JESBUFSHRPMLJB-VWLOTQADSA-N 1 1 432.568 4.156 40 0 IIABMO Cc1nnc([N-]c2cccc([C@H]3CN(Cc4cn(C)c5ccc(F)cc45)CCO3)n2)s1 ZINC000257251335 568688982 /nfs/dbraw/zinc/68/89/82/568688982.db2.gz JQIQUDWWMLYYRO-HXUWFJFHSA-N 1 1 438.532 4.189 40 0 IIABMO Cn1nc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(Cl)c1 ZINC000257266897 568696179 /nfs/dbraw/zinc/69/61/79/568696179.db2.gz MFBMGTJOGRQTMW-DEOSSOPVSA-N 1 1 425.960 4.311 40 0 IIABMO Cn1nc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(Cl)c1 ZINC000257266897 568696181 /nfs/dbraw/zinc/69/61/81/568696181.db2.gz MFBMGTJOGRQTMW-DEOSSOPVSA-N 1 1 425.960 4.311 40 0 IIABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)OC(C)(C)C ZINC000257274932 568699907 /nfs/dbraw/zinc/69/99/07/568699907.db2.gz NNGMWMSWTQQLNV-YJMBLLCNSA-N 1 1 446.975 4.246 40 0 IIABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000257276961 568700679 /nfs/dbraw/zinc/70/06/79/568700679.db2.gz NVWYMRPNGYPJNC-QHCPKHFHSA-N 1 1 446.570 4.389 40 0 IIABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257298686 568710731 /nfs/dbraw/zinc/71/07/31/568710731.db2.gz RMWRWFHHYFOAPX-KRWDZBQOSA-N 1 1 440.617 4.212 40 0 IIABMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257298686 568710732 /nfs/dbraw/zinc/71/07/32/568710732.db2.gz RMWRWFHHYFOAPX-KRWDZBQOSA-N 1 1 440.617 4.212 40 0 IIABMO Cc1cccc(NC(=O)C[NH+]2CCC(c3cc(Nc4ccc(F)cn4)nc(C)n3)CC2)c1C ZINC000257299267 568710768 /nfs/dbraw/zinc/71/07/68/568710768.db2.gz RPJDCNDJUUUZDT-UHFFFAOYSA-N 1 1 448.546 4.498 40 0 IIABMO COc1cccc(C)c1NC(=O)C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257311911 568716326 /nfs/dbraw/zinc/71/63/26/568716326.db2.gz ULNSLQIERLTIBB-UHFFFAOYSA-N 1 1 431.540 4.355 40 0 IIABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)c2)n1 ZINC000257321422 568720818 /nfs/dbraw/zinc/72/08/18/568720818.db2.gz WBPXNFYDBUJGIX-FQEVSTJZSA-N 1 1 448.552 4.068 40 0 IIABMO Cc1ccc(-c2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCC[N@H+](C)CC3)o2)cc1 ZINC000261526995 568735327 /nfs/dbraw/zinc/73/53/27/568735327.db2.gz UHBCIVBFVQQTFS-LYBHJNIJSA-N 1 1 443.547 4.190 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130847 568766346 /nfs/dbraw/zinc/76/63/46/568766346.db2.gz JRBQZPIJVRJBOH-ZEQKJWHPSA-N 1 1 447.558 4.016 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137247 568769886 /nfs/dbraw/zinc/76/98/86/568769886.db2.gz QQMHUOLHBNWISE-RPLLCQBOSA-N 1 1 443.595 4.186 40 0 IIABMO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@]2(C1)Nc1ccccc1-n1cccc12 ZINC000057719671 568909066 /nfs/dbraw/zinc/90/90/66/568909066.db2.gz JQJPSFJSKBHQQH-MHZLTWQESA-N 1 1 440.547 4.270 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)[nH]n2)cc1 ZINC000257199216 568921926 /nfs/dbraw/zinc/92/19/26/568921926.db2.gz WQOVXVNCVDVXHF-QDPPLXMDSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)n[nH]2)cc1 ZINC000257199216 568921927 /nfs/dbraw/zinc/92/19/27/568921927.db2.gz WQOVXVNCVDVXHF-QDPPLXMDSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)n[nH]2)cc1 ZINC000257199216 568921928 /nfs/dbraw/zinc/92/19/28/568921928.db2.gz WQOVXVNCVDVXHF-QDPPLXMDSA-N 1 1 432.568 4.121 40 0 IIABMO C[C@H]1CC[C@@H]2[N@H+](C[C@@H]3[C@@H]4C[C@H]5[C@@H](CC(=O)[C@H]6CC(=O)CC[C@]56C)[C@@H]4CC[C@@H]3[C@]2(C)O)C1 ZINC000252694033 569210951 /nfs/dbraw/zinc/21/09/51/569210951.db2.gz HIDAYMRWVVNXAO-LISOPRLISA-N 1 1 427.629 4.095 40 0 biogenic IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000019551753 569226924 /nfs/dbraw/zinc/22/69/24/569226924.db2.gz CAXKFEMWOMWQSU-YADARESESA-N 1 1 434.515 4.008 40 0 IIABMO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c2ccc(F)cc21 ZINC000019693549 569228946 /nfs/dbraw/zinc/22/89/46/569228946.db2.gz MFRJGVSAZYGAAP-DEOSSOPVSA-N 1 1 431.515 4.413 40 0 IIABMO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c2ccc(F)cc21 ZINC000019693549 569228947 /nfs/dbraw/zinc/22/89/47/569228947.db2.gz MFRJGVSAZYGAAP-DEOSSOPVSA-N 1 1 431.515 4.413 40 0 IIABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCC[N@H+]3Cc3cccnc3)on2)cc1 ZINC000019696503 569229814 /nfs/dbraw/zinc/22/98/14/569229814.db2.gz YCVNSOJTPSUIGT-AREMUKBSSA-N 1 1 432.568 4.395 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000019702575 569232258 /nfs/dbraw/zinc/23/22/58/569232258.db2.gz BQJZVJUGCSHFTP-KRWDZBQOSA-N 1 1 448.592 4.154 40 0 IIABMO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CCOc2ccccc2F)C1 ZINC000019739221 569236591 /nfs/dbraw/zinc/23/65/91/569236591.db2.gz QFZYONAYMCHQRD-RUZDIDTESA-N 1 1 443.563 4.263 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C1)CCC2 ZINC000019763141 569237896 /nfs/dbraw/zinc/23/78/96/569237896.db2.gz SAMZNSVFAOZLED-JOCHJYFZSA-N 1 1 448.611 4.288 40 0 IIABMO COc1cccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)c1 ZINC000020241867 569241286 /nfs/dbraw/zinc/24/12/86/569241286.db2.gz GJUHNMORXNJNMQ-UHFFFAOYSA-N 1 1 431.536 4.278 40 0 IIABMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855651 569249265 /nfs/dbraw/zinc/24/92/65/569249265.db2.gz WHBQLHPYLZUFDU-AVRDEDQJSA-N 1 1 426.532 4.465 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CC[C@H]3[C@H]1CCCCC(=O)N3Cc1ccccc1)OCCO2 ZINC000019713834 569327812 /nfs/dbraw/zinc/32/78/12/569327812.db2.gz LOKJBSHVSKFHHL-YADHBBJMSA-N 1 1 436.552 4.012 40 0 IIABMO CC(C)(C)OC(=O)COCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022053663 518795027 /nfs/dbraw/zinc/79/50/27/518795027.db2.gz CRBIKYGPQWQMAG-DEOSSOPVSA-N 1 1 445.003 4.405 40 0 in-vitro IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000012707770 521653618 /nfs/dbraw/zinc/65/36/18/521653618.db2.gz NCEJIGNVRHEXSQ-NRFANRHFSA-N 1 1 434.540 4.055 40 0 IIABMO COc1cc(C[N@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc(OC)c1OC ZINC000012122569 522406325 /nfs/dbraw/zinc/40/63/25/522406325.db2.gz WUDKBBSPYWFFSN-UHFFFAOYSA-N 1 1 427.541 4.028 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H](c3onc4c3C[C@@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000036718934 524030299 /nfs/dbraw/zinc/03/02/99/524030299.db2.gz DZIGMEBTHRYYKN-FPOVZHCZSA-N 1 1 439.600 4.020 40 0 IIABMO C[C@H](C[N@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734684 524341099 /nfs/dbraw/zinc/34/10/99/524341099.db2.gz CWEQXDYGNOMOSU-IRLDBZIGSA-N 1 1 430.600 4.460 40 0 IIABMO C[C@@H](C[N@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000036734681 524616584 /nfs/dbraw/zinc/61/65/84/524616584.db2.gz CWEQXDYGNOMOSU-UNMCSNQZSA-N 1 1 430.600 4.460 40 0 IIABMO COc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020483256 526237570 /nfs/dbraw/zinc/23/75/70/526237570.db2.gz ODSBVINBPVKTPP-NRFANRHFSA-N 1 1 430.548 4.396 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000020489567 527370108 /nfs/dbraw/zinc/37/01/08/527370108.db2.gz KOZYYMWPXXDZFB-UHFFFAOYSA-N 1 1 428.330 4.255 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1ccc(Br)cc1 ZINC000022511905 527384861 /nfs/dbraw/zinc/38/48/61/527384861.db2.gz HLAFFDOCICLQEF-UHFFFAOYSA-N 1 1 430.371 4.493 40 0 IIABMO COc1cc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3ccccn3)CC2)ccc1OC(C)C ZINC000012089647 556402128 /nfs/dbraw/zinc/40/21/28/556402128.db2.gz BAHNLTZILRSMHV-HHHXNRCGSA-N 1 1 447.579 4.281 40 0 IIABMO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000039761686 556436751 /nfs/dbraw/zinc/43/67/51/556436751.db2.gz OKSSHSYWYCMNGD-UHFFFAOYSA-N 1 1 445.966 4.049 40 0 IIABMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015307478 556518288 /nfs/dbraw/zinc/51/82/88/556518288.db2.gz WHBYBBACYOMMMZ-LJQANCHMSA-N 1 1 443.334 4.381 40 0 IIABMO COc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)c1 ZINC000514289980 556623862 /nfs/dbraw/zinc/62/38/62/556623862.db2.gz SCANXSASCGPOLE-SONWIMMPSA-N 1 1 436.577 4.253 40 0 biogenic,in-vitro IIABMO COc1cccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)c1 ZINC000514289980 556623864 /nfs/dbraw/zinc/62/38/64/556623864.db2.gz SCANXSASCGPOLE-SONWIMMPSA-N 1 1 436.577 4.253 40 0 biogenic,in-vitro IIABMO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000016681574 556624150 /nfs/dbraw/zinc/62/41/50/556624150.db2.gz WWCCITVMEJGGGY-UHFFFAOYSA-N 1 1 447.004 4.007 40 0 IIABMO C[C@@]1(O)CC[N@H+](Cc2cccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288920 556624960 /nfs/dbraw/zinc/62/49/60/556624960.db2.gz DGCMZQQBKSHTLY-JAXLGGSGSA-N 1 1 430.570 4.445 40 0 biogenic,in-vitro IIABMO C[C@@]1(O)CC[N@@H+](Cc2cccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288920 556624962 /nfs/dbraw/zinc/62/49/62/556624962.db2.gz DGCMZQQBKSHTLY-JAXLGGSGSA-N 1 1 430.570 4.445 40 0 biogenic,in-vitro IIABMO COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855508 556671619 /nfs/dbraw/zinc/67/16/19/556671619.db2.gz AQNZQDWAZCGMJZ-XMSQKQJNSA-N 1 1 426.532 4.465 40 0 IIABMO CC[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000048520922 556700245 /nfs/dbraw/zinc/70/02/45/556700245.db2.gz ICBSBTSRZHYVGZ-KXXXHFJOSA-N 1 1 441.524 4.414 40 0 IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133424 556705030 /nfs/dbraw/zinc/70/50/30/556705030.db2.gz ACLNHLSHFOFFLO-FQEVSTJZSA-N 1 1 446.599 4.174 40 0 IIABMO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019135455 556706095 /nfs/dbraw/zinc/70/60/95/556706095.db2.gz VWVQCGNSMJRCQH-QHCPKHFHSA-N 1 1 434.584 4.137 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257341727 556707025 /nfs/dbraw/zinc/70/70/25/556707025.db2.gz ZLSNGIIBSCRHQI-AREMUKBSSA-N 1 1 444.535 4.262 40 0 IIABMO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257247944 556711306 /nfs/dbraw/zinc/71/13/06/556711306.db2.gz JBFXCRONTXOMHU-QHCPKHFHSA-N 1 1 447.558 4.498 40 0 IIABMO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257247944 556711308 /nfs/dbraw/zinc/71/13/08/556711308.db2.gz JBFXCRONTXOMHU-QHCPKHFHSA-N 1 1 447.558 4.498 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 ZINC000257251365 556711712 /nfs/dbraw/zinc/71/17/12/556711712.db2.gz JQLKXSGUOPCWRT-HSZRJFAPSA-N 1 1 436.596 4.302 40 0 IIABMO Cc1cc(C)n(CCCOc2cccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)c2)n1 ZINC000257274907 556714125 /nfs/dbraw/zinc/71/41/25/556714125.db2.gz NNDZAZIZGFRPHF-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO Cc1cccc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)n1 ZINC000019236196 556720871 /nfs/dbraw/zinc/72/08/71/556720871.db2.gz PUEWOZPLLHODST-HHHXNRCGSA-N 1 1 428.580 4.365 40 0 IIABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019287659 556728615 /nfs/dbraw/zinc/72/86/15/556728615.db2.gz CBYYWRMOCQTRDA-ZBFHGGJFSA-N 1 1 448.493 4.029 40 0 IIABMO O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019368815 556746920 /nfs/dbraw/zinc/74/69/20/556746920.db2.gz AQJFTKVRKMABSI-OAQYLSRUSA-N 1 1 434.565 4.169 40 0 IIABMO O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019368815 556746922 /nfs/dbraw/zinc/74/69/22/556746922.db2.gz AQJFTKVRKMABSI-OAQYLSRUSA-N 1 1 434.565 4.169 40 0 IIABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000019448955 556759096 /nfs/dbraw/zinc/75/90/96/556759096.db2.gz UNHQNBJLJUQOEC-RUZDIDTESA-N 1 1 449.624 4.137 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H](c3onc4c3C[C@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000019497162 556769349 /nfs/dbraw/zinc/76/93/49/556769349.db2.gz DZIGMEBTHRYYKN-CTNGQTDRSA-N 1 1 439.600 4.020 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502938 556774141 /nfs/dbraw/zinc/77/41/41/556774141.db2.gz KLANHJJNTBESTA-VWLOTQADSA-N 1 1 428.580 4.365 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503269 556774761 /nfs/dbraw/zinc/77/47/61/556774761.db2.gz AZWRFZIDTMEYTA-XMMPIXPASA-N 1 1 428.580 4.365 40 0 IIABMO CCc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)C[N@H+]3Cc2ccccc2)no1 ZINC000019522665 556779999 /nfs/dbraw/zinc/77/99/99/556779999.db2.gz HLKYRMWVSSXKMX-DGWZTRNLSA-N 1 1 445.563 4.376 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527407 556785818 /nfs/dbraw/zinc/78/58/18/556785818.db2.gz UHEKVSMWKDRXAI-VWLOTQADSA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527407 556785821 /nfs/dbraw/zinc/78/58/21/556785821.db2.gz UHEKVSMWKDRXAI-VWLOTQADSA-N 1 1 443.595 4.185 40 0 IIABMO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000001358797 556785959 /nfs/dbraw/zinc/78/59/59/556785959.db2.gz SRCJXHJAWYVLRX-UHFFFAOYSA-N 1 1 428.920 4.052 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527770 556787478 /nfs/dbraw/zinc/78/74/78/556787478.db2.gz QMZALLYKMLCAEM-XMMPIXPASA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527770 556787482 /nfs/dbraw/zinc/78/74/82/556787482.db2.gz QMZALLYKMLCAEM-XMMPIXPASA-N 1 1 443.595 4.185 40 0 IIABMO COc1cccc(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c1OC1CCCC1 ZINC000019568167 556808183 /nfs/dbraw/zinc/80/81/83/556808183.db2.gz VWFJDFGIDFDFET-WXVAWEFUSA-N 1 1 449.595 4.440 40 0 IIABMO CCn1ccnc1C[N@H+]1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019578065 556815777 /nfs/dbraw/zinc/81/57/77/556815777.db2.gz IXFCMCXOVZQYIQ-MHZLTWQESA-N 1 1 445.611 4.315 40 0 IIABMO COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592998 556829110 /nfs/dbraw/zinc/82/91/10/556829110.db2.gz DOBTWHIAGIMREV-RPLLCQBOSA-N 1 1 429.564 4.465 40 0 IIABMO COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592995 556829177 /nfs/dbraw/zinc/82/91/77/556829177.db2.gz DOBTWHIAGIMREV-SQHAQQRYSA-N 1 1 429.564 4.465 40 0 IIABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593229 556829364 /nfs/dbraw/zinc/82/93/64/556829364.db2.gz IHUNIWWLXUFKNK-JTSKRJEESA-N 1 1 436.383 4.494 40 0 IIABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593229 556829366 /nfs/dbraw/zinc/82/93/66/556829366.db2.gz IHUNIWWLXUFKNK-JTSKRJEESA-N 1 1 436.383 4.494 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582817 556842282 /nfs/dbraw/zinc/84/22/82/556842282.db2.gz ROJUKTZSZZWFME-NRFANRHFSA-N 1 1 448.567 4.364 40 0 IIABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@H+]2Cc2cn(CCCO)c3ccccc23)n1 ZINC000019690815 556846518 /nfs/dbraw/zinc/84/65/18/556846518.db2.gz CJSKBRZYVNJBOU-VWLOTQADSA-N 1 1 442.567 4.103 40 0 IIABMO CCn1ncc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c1C ZINC000019694353 556850348 /nfs/dbraw/zinc/85/03/48/556850348.db2.gz KHSXUARHYSHNGF-HSZRJFAPSA-N 1 1 434.588 4.470 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000019694837 556851120 /nfs/dbraw/zinc/85/11/20/556851120.db2.gz MCBBFHUPHQMRPH-FQEVSTJZSA-N 1 1 433.556 4.349 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000019694837 556851125 /nfs/dbraw/zinc/85/11/25/556851125.db2.gz MCBBFHUPHQMRPH-FQEVSTJZSA-N 1 1 433.556 4.349 40 0 IIABMO O=C(c1sc2ccccc2c1[C@@H]1C[N@H+](CC2CCCCC2)CCO1)N1CCOCC1 ZINC000019697854 556855713 /nfs/dbraw/zinc/85/57/13/556855713.db2.gz SZPPVUULEIAHJJ-FQEVSTJZSA-N 1 1 428.598 4.327 40 0 IIABMO O=C(c1sc2ccccc2c1[C@@H]1C[N@@H+](CC2CCCCC2)CCO1)N1CCOCC1 ZINC000019697854 556855716 /nfs/dbraw/zinc/85/57/16/556855716.db2.gz SZPPVUULEIAHJJ-FQEVSTJZSA-N 1 1 428.598 4.327 40 0 IIABMO COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](C5CCCC5)C4)nc32)c1 ZINC000019741446 556883696 /nfs/dbraw/zinc/88/36/96/556883696.db2.gz GRROJTYLIPJRPO-HXUWFJFHSA-N 1 1 434.584 4.395 40 0 IIABMO C[NH+]1CCC(Nc2[nH]nc3nc([C@H]4CCCN(C(=O)CC5CCCCC5)C4)ccc32)CC1 ZINC000019742918 556887138 /nfs/dbraw/zinc/88/71/38/556887138.db2.gz CLTSZRVXUUHTHN-IBGZPJMESA-N 1 1 438.620 4.140 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370655 556935877 /nfs/dbraw/zinc/93/58/77/556935877.db2.gz YGYWJDNGOVXJJC-SFHVURJKSA-N 1 1 438.597 4.084 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370655 556935879 /nfs/dbraw/zinc/93/58/79/556935879.db2.gz YGYWJDNGOVXJJC-SFHVURJKSA-N 1 1 438.597 4.084 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C1)CO2 ZINC000072371497 556939139 /nfs/dbraw/zinc/93/91/39/556939139.db2.gz BXCFZGCZCZXQMS-IBGZPJMESA-N 1 1 449.526 4.444 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C1)CO2 ZINC000072371497 556939143 /nfs/dbraw/zinc/93/91/43/556939143.db2.gz BXCFZGCZCZXQMS-IBGZPJMESA-N 1 1 449.526 4.444 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C1)CO2 ZINC000072371497 556939147 /nfs/dbraw/zinc/93/91/47/556939147.db2.gz BXCFZGCZCZXQMS-IBGZPJMESA-N 1 1 449.526 4.444 40 0 IIABMO Cc1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000072371463 556939283 /nfs/dbraw/zinc/93/92/83/556939283.db2.gz FRUJQFNJRFTBAA-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C ZINC000072371463 556939286 /nfs/dbraw/zinc/93/92/86/556939286.db2.gz FRUJQFNJRFTBAA-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C ZINC000072371463 556939289 /nfs/dbraw/zinc/93/92/89/556939289.db2.gz FRUJQFNJRFTBAA-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000072372519 556943160 /nfs/dbraw/zinc/94/31/60/556943160.db2.gz XNCFODBQBHGQMB-OAQYLSRUSA-N 1 1 441.532 4.205 40 0 IIABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000072373144 556945434 /nfs/dbraw/zinc/94/54/34/556945434.db2.gz NDQNERDUFDHKSZ-SKVJQKLOSA-N 1 1 447.623 4.089 40 0 IIABMO COc1ccc(NC(=O)C[NH+]2CCC(c3ccc(Nc4nc(C)cc(C)n4)cn3)CC2)cc1 ZINC000072374176 556947442 /nfs/dbraw/zinc/94/74/42/556947442.db2.gz KBGCMFVFGIMXPX-UHFFFAOYSA-N 1 1 446.555 4.059 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1CO ZINC000072375050 556950305 /nfs/dbraw/zinc/95/03/05/556950305.db2.gz WNMAPWFQOCEXBU-HXUWFJFHSA-N 1 1 433.556 4.194 40 0 IIABMO OCCCn1cc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)c2ccccc21 ZINC000072376425 556954654 /nfs/dbraw/zinc/95/46/54/556954654.db2.gz HKDZDHKYZMFACD-HSZRJFAPSA-N 1 1 428.540 4.289 40 0 IIABMO CCOC(=O)Cn1c(Cl)c(C[N@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)sc1=O ZINC000072389698 556959691 /nfs/dbraw/zinc/95/96/91/556959691.db2.gz YHFHJHLYYJIOKS-QGZVFWFLSA-N 1 1 434.989 4.286 40 0 IIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585107520 557038590 /nfs/dbraw/zinc/03/85/90/557038590.db2.gz YTGVWKPQEBGNLT-MHZLTWQESA-N 1 1 446.570 4.474 40 0 IIABMO O=C(CCc1ccc2c(c1)OCCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024613542 557156089 /nfs/dbraw/zinc/15/60/89/557156089.db2.gz PYZTXGSJFWDOQR-UHFFFAOYSA-N 1 1 442.559 4.324 40 0 IIABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]12 ZINC000096145309 557174694 /nfs/dbraw/zinc/17/46/94/557174694.db2.gz WBOJOJCZFFRUCT-ZJSXRUAMSA-N 1 1 425.960 4.295 40 0 IIABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261695 557195822 /nfs/dbraw/zinc/19/58/22/557195822.db2.gz NGXILZHXEMZJKS-WIOPSUGQSA-N 1 1 432.499 4.046 40 0 IIABMO O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000096319721 557199514 /nfs/dbraw/zinc/19/95/14/557199514.db2.gz RPGBCZRZMBQLPM-OAQYLSRUSA-N 1 1 440.613 4.231 40 0 IIABMO CC(C)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000218870864 557219204 /nfs/dbraw/zinc/21/92/04/557219204.db2.gz FYIJVHCKYFLGFK-UHFFFAOYSA-N 1 1 431.374 4.296 40 0 IIABMO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222601609 557359677 /nfs/dbraw/zinc/35/96/77/557359677.db2.gz LVBRYGDRIFYLAV-GOSISDBHSA-N 1 1 442.922 4.400 40 0 IIABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000222743446 557381811 /nfs/dbraw/zinc/38/18/11/557381811.db2.gz ODZJZDDKWYFRLV-HNNXBMFYSA-N 1 1 432.923 4.340 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000019587535 557501243 /nfs/dbraw/zinc/50/12/43/557501243.db2.gz PRHIXVSQKXXKFU-TXTKFYIRSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000019587547 557501291 /nfs/dbraw/zinc/50/12/91/557501291.db2.gz VXNUDOAHEVKNRV-SFGWALBWSA-N 1 1 443.538 4.144 40 0 IIABMO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000224538802 557618417 /nfs/dbraw/zinc/61/84/17/557618417.db2.gz UUIWWJCSQWZPDG-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224541710 557618764 /nfs/dbraw/zinc/61/87/64/557618764.db2.gz MOVQISJOHBAFMU-UHFFFAOYSA-N 1 1 439.408 4.375 40 0 IIABMO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224547222 557620510 /nfs/dbraw/zinc/62/05/10/557620510.db2.gz GTOZRMGFDNOZFU-UHFFFAOYSA-N 1 1 431.374 4.165 40 0 IIABMO C[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000224954598 557670798 /nfs/dbraw/zinc/67/07/98/557670798.db2.gz ZGWLITYISOMZMT-UHFFFAOYSA-N 1 1 426.314 4.159 40 0 IIABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225516371 557733745 /nfs/dbraw/zinc/73/37/45/557733745.db2.gz RORWMUKFDOEIRM-UHFFFAOYSA-N 1 1 426.532 4.377 40 0 IIABMO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579120 557746176 /nfs/dbraw/zinc/74/61/76/557746176.db2.gz YJZPEGAANUHIDU-UHFFFAOYSA-N 1 1 431.939 4.468 40 0 IIABMO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589657 557748452 /nfs/dbraw/zinc/74/84/52/557748452.db2.gz UWWNXOUZZYDTSQ-UHFFFAOYSA-N 1 1 428.895 4.058 40 0 IIABMO O=C(c1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1)N1CCCCC1 ZINC000225744172 557772026 /nfs/dbraw/zinc/77/20/26/557772026.db2.gz YWNKYDWYVWWDQR-UHFFFAOYSA-N 1 1 436.625 4.048 40 0 IIABMO COc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000225903770 557790046 /nfs/dbraw/zinc/79/00/46/557790046.db2.gz GDKHAYXRDCCTHU-IBGZPJMESA-N 1 1 446.975 4.236 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270585 568617237 /nfs/dbraw/zinc/61/72/37/568617237.db2.gz MTDMNJXWCWMNSR-MHZLTWQESA-N 1 1 449.595 4.412 40 0 IIABMO COc1cccc(-c2cccc(C[N@H+]3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)c2)c1 ZINC000257205915 568667878 /nfs/dbraw/zinc/66/78/78/568667878.db2.gz BBBDSRWRMYSOGN-HHHXNRCGSA-N 1 1 429.564 4.379 40 0 IIABMO COc1ccccc1-c1cccc(C[N@H+]2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257228151 568678214 /nfs/dbraw/zinc/67/82/14/568678214.db2.gz FSOCIMKXMRZDKX-OAQYLSRUSA-N 1 1 428.536 4.096 40 0 IIABMO Cc1nc([C@H]2CC[N@@H+](CCc3ccccc3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257231879 568679725 /nfs/dbraw/zinc/67/97/25/568679725.db2.gz GINRNJRBKNYHLY-QFIPXVFZSA-N 1 1 444.554 4.436 40 0 IIABMO COc1cccc(CNC(=O)Cc2c(C)nc([C@H]3CC[N@@H+](C[C@@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233307 568680846 /nfs/dbraw/zinc/68/08/46/568680846.db2.gz GOROOYLGGDRCNH-GGAORHGYSA-N 1 1 448.611 4.107 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257260221 568693254 /nfs/dbraw/zinc/69/32/54/568693254.db2.gz LBVYNMAYTKSSIH-INIZCTEOSA-N 1 1 445.489 4.458 40 0 IIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000257260221 568693255 /nfs/dbraw/zinc/69/32/55/568693255.db2.gz LBVYNMAYTKSSIH-INIZCTEOSA-N 1 1 445.489 4.458 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000257260221 568693259 /nfs/dbraw/zinc/69/32/59/568693259.db2.gz LBVYNMAYTKSSIH-INIZCTEOSA-N 1 1 445.489 4.458 40 0 IIABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)cc1CO ZINC000257267381 568696515 /nfs/dbraw/zinc/69/65/15/568696515.db2.gz MHBFWTSGUNEMOL-GOSISDBHSA-N 1 1 438.593 4.484 40 0 IIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293005 568708206 /nfs/dbraw/zinc/70/82/06/568708206.db2.gz QNTZVGKVUYRKCU-URXFXBBRSA-N 1 1 435.616 4.298 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306125527 568763943 /nfs/dbraw/zinc/76/39/43/568763943.db2.gz CTGAFVREQUGTKI-WIOPSUGQSA-N 1 1 449.624 4.329 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3sccc3C)C2)[N@H+](C)C1 ZINC000019238626 569226476 /nfs/dbraw/zinc/22/64/76/569226476.db2.gz QFKOPQAROXMRJR-SFHLNBCPSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000019238626 569226477 /nfs/dbraw/zinc/22/64/77/569226477.db2.gz QFKOPQAROXMRJR-SFHLNBCPSA-N 1 1 427.614 4.236 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000019702129 569231762 /nfs/dbraw/zinc/23/17/62/569231762.db2.gz WQEHPWCRDYPHRW-GOSISDBHSA-N 1 1 446.576 4.210 40 0 IIABMO CCCn1c(C[N@H+]2[C@@H](c3ccc(OC)cc3)C[C@@H]3NC(=O)CCC[C@H]32)nc2ccccc21 ZINC000019713810 569235776 /nfs/dbraw/zinc/23/57/76/569235776.db2.gz HGEHIXRVKHNNCR-QPTUXGOLSA-N 1 1 432.568 4.439 40 0 IIABMO CCCn1c(C[N@@H+]2[C@@H](c3ccc(OC)cc3)C[C@@H]3NC(=O)CCC[C@H]32)nc2ccccc21 ZINC000019713810 569235777 /nfs/dbraw/zinc/23/57/77/569235777.db2.gz HGEHIXRVKHNNCR-QPTUXGOLSA-N 1 1 432.568 4.439 40 0 IIABMO CNc1cc(C[N@H+](C)Cc2ccc(OC3CCCC3)cc2)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019759964 569237579 /nfs/dbraw/zinc/23/75/79/569237579.db2.gz KKCOYHDNFVXZQW-QHCPKHFHSA-N 1 1 437.588 4.155 40 0 IIABMO CNc1cc(C[N@@H+](C)Cc2ccc(OC3CCCC3)cc2)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019759964 569237580 /nfs/dbraw/zinc/23/75/80/569237580.db2.gz KKCOYHDNFVXZQW-QHCPKHFHSA-N 1 1 437.588 4.155 40 0 IIABMO COc1ccc(C[N@H+]2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)c(OC)c1 ZINC000019713871 569327743 /nfs/dbraw/zinc/32/77/43/569327743.db2.gz MKURFLDEJZABHJ-WTIAFYNJSA-N 1 1 426.532 4.087 40 0 IIABMO COCCOc1cccc(C[N@H+]2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)c1 ZINC000019713899 569327751 /nfs/dbraw/zinc/32/77/51/569327751.db2.gz XRBBSIWXBGLJKS-IEZKXTBUSA-N 1 1 440.559 4.095 40 0 IIABMO COc1ccc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000020223646 569357012 /nfs/dbraw/zinc/35/70/12/569357012.db2.gz CXAILRUIEFPAJF-UHFFFAOYSA-N 1 1 430.548 4.180 40 0 IIABMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030939262 556515901 /nfs/dbraw/zinc/51/59/01/556515901.db2.gz OPLZCLLIYJDASL-LJQANCHMSA-N 1 1 443.613 4.201 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081819 556696368 /nfs/dbraw/zinc/69/63/68/556696368.db2.gz VJDMTAOEFWWAEZ-FDDCHVKYSA-N 1 1 425.573 4.214 40 0 IIABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082357 556697346 /nfs/dbraw/zinc/69/73/46/556697346.db2.gz NLTGBYBPOLBEQY-FHLIZLRMSA-N 1 1 441.542 4.065 40 0 IIABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082357 556697347 /nfs/dbraw/zinc/69/73/47/556697347.db2.gz NLTGBYBPOLBEQY-FHLIZLRMSA-N 1 1 441.542 4.065 40 0 IIABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000257214464 556703022 /nfs/dbraw/zinc/70/30/22/556703022.db2.gz CMCNUZPGJTZYLC-NRFANRHFSA-N 1 1 440.540 4.141 40 0 IIABMO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2CCCCC2)C3)cc1 ZINC000019135279 556705770 /nfs/dbraw/zinc/70/57/70/556705770.db2.gz PDOUARSCKROCAJ-HSZRJFAPSA-N 1 1 434.584 4.406 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@@H](Cc3ccc4cnccc4c3)C2)c1 ZINC000257237588 556709959 /nfs/dbraw/zinc/70/99/59/556709959.db2.gz HHDIEPKPCMEOBF-QHCPKHFHSA-N 1 1 440.547 4.119 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242357 556710628 /nfs/dbraw/zinc/71/06/28/556710628.db2.gz ICBVTRQQQDWWMW-JTHBVZDNSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242357 556710629 /nfs/dbraw/zinc/71/06/29/556710629.db2.gz ICBVTRQQQDWWMW-JTHBVZDNSA-N 1 1 448.485 4.484 40 0 IIABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257246100 556711036 /nfs/dbraw/zinc/71/10/36/556711036.db2.gz ISMRDVWGOLDBSU-HHHXNRCGSA-N 1 1 447.554 4.422 40 0 IIABMO Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)c1 ZINC000019234425 556718523 /nfs/dbraw/zinc/71/85/23/556718523.db2.gz SZLZEYSEEMKUDA-QFIPXVFZSA-N 1 1 448.592 4.066 40 0 IIABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235965 556720445 /nfs/dbraw/zinc/72/04/45/556720445.db2.gz DEOLHNUHWQAPSQ-FQEVSTJZSA-N 1 1 446.599 4.174 40 0 IIABMO Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236387 556721157 /nfs/dbraw/zinc/72/11/57/556721157.db2.gz UDALEUACACBGQB-BKMJKUGQSA-N 1 1 443.551 4.001 40 0 IIABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(OCc3ccc(F)cc3)c1)C2 ZINC000019291400 556731461 /nfs/dbraw/zinc/73/14/61/556731461.db2.gz CPTXMUBWVOBOOK-KMXBQNHCSA-N 1 1 435.543 4.258 40 0 IIABMO O=C(N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400900 556753467 /nfs/dbraw/zinc/75/34/67/556753467.db2.gz VQJVJDVXNVGRDF-JTHBVZDNSA-N 1 1 435.568 4.255 40 0 IIABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019448945 556758982 /nfs/dbraw/zinc/75/89/82/556758982.db2.gz CPMWWRPCKVZWEL-MHZLTWQESA-N 1 1 428.580 4.493 40 0 IIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500922 556772728 /nfs/dbraw/zinc/77/27/28/556772728.db2.gz BLAIEIVAYDMUCD-GPMSIDNRSA-N 1 1 435.494 4.317 40 0 IIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500922 556772733 /nfs/dbraw/zinc/77/27/33/556772733.db2.gz BLAIEIVAYDMUCD-GPMSIDNRSA-N 1 1 435.494 4.317 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503068 556774342 /nfs/dbraw/zinc/77/43/42/556774342.db2.gz BSAXZCPOMZBUSH-RUZDIDTESA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503068 556774344 /nfs/dbraw/zinc/77/43/44/556774344.db2.gz BSAXZCPOMZBUSH-RUZDIDTESA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503344 556775002 /nfs/dbraw/zinc/77/50/02/556775002.db2.gz DLXOOVCHRAONAN-DEOSSOPVSA-N 1 1 428.580 4.365 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001353337 556781420 /nfs/dbraw/zinc/78/14/20/556781420.db2.gz OWEGFGSWWQMUBW-JOCHJYFZSA-N 1 1 436.531 4.494 40 0 IIABMO CCN1CC[N@@H+](Cc2cccc(OC)c2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527757 556787429 /nfs/dbraw/zinc/78/74/29/556787429.db2.gz MMHXYBAXDHILFD-DEOSSOPVSA-N 1 1 429.564 4.280 40 0 IIABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019533725 556793638 /nfs/dbraw/zinc/79/36/38/556793638.db2.gz AWUGXADCSKFDOY-MRXNPFEDSA-N 1 1 434.462 4.453 40 0 IIABMO Cc1noc2nc([C@@H]3CCCN(C(=O)CCCn4cc[nH+]c4C)C3)cc(C(F)(F)F)c12 ZINC000019563856 556804626 /nfs/dbraw/zinc/80/46/26/556804626.db2.gz QTVABLQCQLYIMZ-OAHLLOKOSA-N 1 1 435.450 4.241 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c1OC ZINC000019567566 556807513 /nfs/dbraw/zinc/80/75/13/556807513.db2.gz IELRAGLQGLDTAN-MHZLTWQESA-N 1 1 430.548 4.291 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1OC ZINC000019568022 556808070 /nfs/dbraw/zinc/80/80/70/556808070.db2.gz SBBIBAIQAKMUHE-FKBYEOEOSA-N 1 1 440.609 4.382 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 ZINC000019570009 556810168 /nfs/dbraw/zinc/81/01/68/556810168.db2.gz HQLGHYVOMDKQTA-MHZLTWQESA-N 1 1 430.548 4.291 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000019584439 556821837 /nfs/dbraw/zinc/82/18/37/556821837.db2.gz CENZSVRTAAVGLL-IBGZPJMESA-N 1 1 433.556 4.001 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019591340 556826401 /nfs/dbraw/zinc/82/64/01/556826401.db2.gz TYYBXKZPJHLAOT-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO CNc1ncccc1C[N@H+]1CCC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)N(C)C)C1 ZINC000019592041 556828013 /nfs/dbraw/zinc/82/80/13/556828013.db2.gz OZAGVXJBVBSKQQ-MHZLTWQESA-N 1 1 443.595 4.098 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000072330467 556905880 /nfs/dbraw/zinc/90/58/80/556905880.db2.gz OWNMDAOWONQVCU-KCWPFWIISA-N 1 1 429.564 4.402 40 0 IIABMO Cc1nccc(-c2ccc(-c3noc(CN4CC[NH+]([C@H](C)c5ccccc5)CC4)n3)cc2)n1 ZINC000072340137 556912015 /nfs/dbraw/zinc/91/20/15/556912015.db2.gz IZXDUMXQCRLEEZ-LJQANCHMSA-N 1 1 440.551 4.381 40 0 IIABMO Cc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)cc1 ZINC000072369598 556933483 /nfs/dbraw/zinc/93/34/83/556933483.db2.gz KHEFDUBJQUGLIL-JOCHJYFZSA-N 1 1 447.627 4.491 40 0 IIABMO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000072370525 556935276 /nfs/dbraw/zinc/93/52/76/556935276.db2.gz JWNHNGIAVMAUMD-GOSISDBHSA-N 1 1 426.557 4.360 40 0 IIABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1CC(=O)N1CCC1 ZINC000072370698 556935888 /nfs/dbraw/zinc/93/58/88/556935888.db2.gz ILTKDQURJRSHKO-GOSISDBHSA-N 1 1 427.614 4.059 40 0 IIABMO Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000072372743 556944152 /nfs/dbraw/zinc/94/41/52/556944152.db2.gz KPQSJGQAUJOYNV-QGZVFWFLSA-N 1 1 426.546 4.393 40 0 IIABMO Cc1nc2ccccc2n1Cc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(N)[nH+]1 ZINC000072373314 556946373 /nfs/dbraw/zinc/94/63/73/556946373.db2.gz OCUYPIFGHRKMAR-UHFFFAOYSA-N 1 1 446.530 4.065 40 0 IIABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 ZINC000072374262 556947591 /nfs/dbraw/zinc/94/75/91/556947591.db2.gz DWXJKDITQUJJHO-GOSISDBHSA-N 1 1 432.572 4.330 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375512 556951672 /nfs/dbraw/zinc/95/16/72/556951672.db2.gz RCUBZIWPLNDWCU-QFIPXVFZSA-N 1 1 430.556 4.189 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375512 556951674 /nfs/dbraw/zinc/95/16/74/556951674.db2.gz RCUBZIWPLNDWCU-QFIPXVFZSA-N 1 1 430.556 4.189 40 0 IIABMO CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1cccnc1 ZINC000072380065 556957277 /nfs/dbraw/zinc/95/72/77/556957277.db2.gz YBCONFGIYLFRGP-FQEVSTJZSA-N 1 1 437.609 4.348 40 0 IIABMO Cc1cccc(C[N@@H+]2CCC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000072391237 556961758 /nfs/dbraw/zinc/96/17/58/556961758.db2.gz OVKDYXCMRXHZMO-MHZLTWQESA-N 1 1 428.580 4.365 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000072398665 556970761 /nfs/dbraw/zinc/97/07/61/556970761.db2.gz XKQSCTLRMDHXOT-GJZUVCINSA-N 1 1 444.579 4.485 40 0 IIABMO O=C(C[N@@H+]1CCc2ccccc2C1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000257302516 557000929 /nfs/dbraw/zinc/00/09/29/557000929.db2.gz SDEUJLHQLYEPBV-UAPYVXQJSA-N 1 1 436.581 4.246 40 0 IIABMO O=C(C[N@H+]1CCc2ccccc2C1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000257302516 557000935 /nfs/dbraw/zinc/00/09/35/557000935.db2.gz SDEUJLHQLYEPBV-UAPYVXQJSA-N 1 1 436.581 4.246 40 0 IIABMO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]21)c1cccc(F)c1 ZINC000585110095 557042500 /nfs/dbraw/zinc/04/25/00/557042500.db2.gz INELSHITHAPPNF-BJKOFHAPSA-N 1 1 443.522 4.249 40 0 IIABMO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1ccsc1 ZINC000585110121 557043162 /nfs/dbraw/zinc/04/31/62/557043162.db2.gz KYRSVJHUZLYXSL-YADHBBJMSA-N 1 1 431.561 4.172 40 0 IIABMO CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000008831724 557175419 /nfs/dbraw/zinc/17/54/19/557175419.db2.gz ZBTXWCKLZFMDSE-UHFFFAOYSA-N 1 1 447.004 4.006 40 0 IIABMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)C[C@]12CCCCC(=O)N2 ZINC000585261678 557195360 /nfs/dbraw/zinc/19/53/60/557195360.db2.gz DFHOVLGMHGOUDY-WNCULLNHSA-N 1 1 433.596 4.324 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 ZINC000585273338 557215441 /nfs/dbraw/zinc/21/54/41/557215441.db2.gz ZVZBFWGPFZXTEM-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100155032 557244086 /nfs/dbraw/zinc/24/40/86/557244086.db2.gz BKPJGWLYOVCCAU-IBGZPJMESA-N 1 1 443.334 4.381 40 0 IIABMO Cc1ccc2nc(N3CCOCC3)c(C[N@H+]3CCN(Cc4ccc(F)cc4)C[C@H]3C)cc2c1 ZINC000057739994 557257293 /nfs/dbraw/zinc/25/72/93/557257293.db2.gz YLMMGJYZJZLTMX-OAQYLSRUSA-N 1 1 448.586 4.225 40 0 IIABMO Cc1ccc2nc(N3CCOCC3)c(C[N@@H+]3CCN(Cc4ccc(F)cc4)C[C@H]3C)cc2c1 ZINC000057739994 557257296 /nfs/dbraw/zinc/25/72/96/557257296.db2.gz YLMMGJYZJZLTMX-OAQYLSRUSA-N 1 1 448.586 4.225 40 0 IIABMO Cc1ccc2nc(N3CCOCC3)c(CN3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]3C)cc2c1 ZINC000057739994 557257298 /nfs/dbraw/zinc/25/72/98/557257298.db2.gz YLMMGJYZJZLTMX-OAQYLSRUSA-N 1 1 448.586 4.225 40 0 IIABMO Cc1ccc2nc(N3CCOCC3)c(CN3CC[N@H+](Cc4ccc(F)cc4)C[C@H]3C)cc2c1 ZINC000057739994 557257299 /nfs/dbraw/zinc/25/72/99/557257299.db2.gz YLMMGJYZJZLTMX-OAQYLSRUSA-N 1 1 448.586 4.225 40 0 IIABMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1CN1CCOCC1 ZINC000013569159 557347406 /nfs/dbraw/zinc/34/74/06/557347406.db2.gz OEGYVNYABMOBKE-UHFFFAOYSA-N 1 1 435.543 4.264 40 0 IIABMO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1CN1CCOCC1 ZINC000013569159 557347409 /nfs/dbraw/zinc/34/74/09/557347409.db2.gz OEGYVNYABMOBKE-UHFFFAOYSA-N 1 1 435.543 4.264 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344800 557376990 /nfs/dbraw/zinc/37/69/90/557376990.db2.gz PZRBWIMCHHQYLV-JOCHJYFZSA-N 1 1 432.568 4.460 40 0 IIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015674254 560230960 /nfs/dbraw/zinc/23/09/60/560230960.db2.gz WLWWHWABNCVVKW-BEFAXECRSA-N 1 1 444.413 4.424 40 0 biogenic,in-vitro IIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015674254 560230961 /nfs/dbraw/zinc/23/09/61/560230961.db2.gz WLWWHWABNCVVKW-BEFAXECRSA-N 1 1 444.413 4.424 40 0 biogenic,in-vitro IIABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(-c4ccccn4)cc3)n2)cc1 ZINC000015674724 560231245 /nfs/dbraw/zinc/23/12/45/560231245.db2.gz BSSRTNAZTLQMGM-OFNKIYASSA-N 1 1 428.492 4.115 40 0 biogenic,in-vitro IIABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(-c4ccccn4)cc3)n2)cc1 ZINC000015674724 560231246 /nfs/dbraw/zinc/23/12/46/560231246.db2.gz BSSRTNAZTLQMGM-OFNKIYASSA-N 1 1 428.492 4.115 40 0 biogenic,in-vitro IIABMO COCCOc1cc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585270521 568616637 /nfs/dbraw/zinc/61/66/37/568616637.db2.gz LOWYWAWYXIQXJM-AREMUKBSSA-N 1 1 443.584 4.133 40 0 IIABMO CC[C@H](C)C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221034 568674985 /nfs/dbraw/zinc/67/49/85/568674985.db2.gz DNGIFFZEYGCUQE-CYFREDJKSA-N 1 1 437.024 4.404 40 0 IIABMO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)C[N@H+](Cc1ccc(OCCO)cc1)CCO2 ZINC000257223949 568676013 /nfs/dbraw/zinc/67/60/13/568676013.db2.gz DZPYXMPSLVXGQJ-GSDHBNRESA-N 1 1 425.569 4.063 40 0 IIABMO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)C[N@@H+](Cc1ccc(OCCO)cc1)CCO2 ZINC000257223949 568676015 /nfs/dbraw/zinc/67/60/15/568676015.db2.gz DZPYXMPSLVXGQJ-GSDHBNRESA-N 1 1 425.569 4.063 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257230159 568679058 /nfs/dbraw/zinc/67/90/58/568679058.db2.gz GBCDQOTYWHNHAY-IBGZPJMESA-N 1 1 433.531 4.188 40 0 IIABMO COCCC(=O)N[C@]1(C)C[C@H](c2ccc(-n3cc[nH+]c3C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257238671 568683087 /nfs/dbraw/zinc/68/30/87/568683087.db2.gz HLZKIMYEUXDYLG-ASNHTKRHSA-N 1 1 425.573 4.358 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@@H](Cc3cccc4cccnc43)C2)c1 ZINC000257266064 568695822 /nfs/dbraw/zinc/69/58/22/568695822.db2.gz MBKPNBLHWXEVKR-QFIPXVFZSA-N 1 1 440.547 4.119 40 0 IIABMO CC[C@@H](C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1)[NH+]1CCCC1 ZINC000257277524 568701183 /nfs/dbraw/zinc/70/11/83/568701183.db2.gz NYHCASIVUDHSIC-QFIPXVFZSA-N 1 1 425.552 4.248 40 0 IIABMO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c2ccccc21 ZINC000257292197 568707651 /nfs/dbraw/zinc/70/76/51/568707651.db2.gz QKLBCOSRJRGWJF-SANMLTNESA-N 1 1 448.542 4.246 40 0 IIABMO Cn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c2ccccc21 ZINC000257292197 568707654 /nfs/dbraw/zinc/70/76/54/568707654.db2.gz QKLBCOSRJRGWJF-SANMLTNESA-N 1 1 448.542 4.246 40 0 IIABMO CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)[nH+]3)C2)o1 ZINC000257300075 568711449 /nfs/dbraw/zinc/71/14/49/568711449.db2.gz RSUCLFMKRZVXCX-GOSISDBHSA-N 1 1 441.557 4.279 40 0 IIABMO CCOc1ccc(C[NH+]2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)cc1CO ZINC000257313114 568716800 /nfs/dbraw/zinc/71/68/00/568716800.db2.gz URCLXCSCRUNKKY-UHFFFAOYSA-N 1 1 433.556 4.194 40 0 IIABMO Cc1nc(Nc2cncc(C3CC[NH+](CC(=O)N(C)C4CCCCC4)CC3)n2)sc1C ZINC000257316266 568718293 /nfs/dbraw/zinc/71/82/93/568718293.db2.gz VEWKLCVYYLKTNP-UHFFFAOYSA-N 1 1 442.633 4.264 40 0 IIABMO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3cccs3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257337666 568727584 /nfs/dbraw/zinc/72/75/84/568727584.db2.gz YTVNRMYBDQFCMM-NRFANRHFSA-N 1 1 425.602 4.202 40 0 IIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3cccs3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257337666 568727585 /nfs/dbraw/zinc/72/75/85/568727585.db2.gz YTVNRMYBDQFCMM-NRFANRHFSA-N 1 1 425.602 4.202 40 0 IIABMO COc1ccc([C@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)CCN2C(C)=O)cc1 ZINC000257345071 568730908 /nfs/dbraw/zinc/73/09/08/568730908.db2.gz ZZUZQGCYFWGZBE-RUZDIDTESA-N 1 1 431.536 4.075 40 0 IIABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)CCN2C(C)=O)cc1 ZINC000257345071 568730909 /nfs/dbraw/zinc/73/09/09/568730909.db2.gz ZZUZQGCYFWGZBE-RUZDIDTESA-N 1 1 431.536 4.075 40 0 IIABMO COc1ccc(OC)c(C(=O)NCc2cnn(-c3ccccc3)c2[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000019707989 568741891 /nfs/dbraw/zinc/74/18/91/568741891.db2.gz UIPGTACJDVPZDA-LJQANCHMSA-N 1 1 448.567 4.017 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306125237 568763738 /nfs/dbraw/zinc/76/37/38/568763738.db2.gz CKAXTZYPVHLFTJ-WIOPSUGQSA-N 1 1 449.624 4.329 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126622 568764502 /nfs/dbraw/zinc/76/45/02/568764502.db2.gz FALVMFQRJFZAAN-OZXSUGGESA-N 1 1 447.558 4.016 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127774 568764984 /nfs/dbraw/zinc/76/49/84/568764984.db2.gz GHJFXWXSYPYRLI-YKSBVNFPSA-N 1 1 426.992 4.346 40 0 IIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3c2)c1OC ZINC000306133046 568767555 /nfs/dbraw/zinc/76/75/55/568767555.db2.gz MACMWYSPAJSYLV-FQEVSTJZSA-N 1 1 429.524 4.188 40 0 IIABMO O=C1N(Cc2cccnc2)CC[C@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306133073 568767571 /nfs/dbraw/zinc/76/75/71/568767571.db2.gz MAWXXDZJNFFLJW-UKILVPOCSA-N 1 1 432.955 4.148 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306141732 568772381 /nfs/dbraw/zinc/77/23/81/568772381.db2.gz WEXXIWRMGLSNOW-QPPBQGQZSA-N 1 1 426.992 4.346 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccc(OC)c5OC)cn4n3)C2)cn1 ZINC000306144060 568773670 /nfs/dbraw/zinc/77/36/70/568773670.db2.gz YUYJZIDOOYWGQG-FQEVSTJZSA-N 1 1 446.555 4.010 40 0 IIABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328990363 568808495 /nfs/dbraw/zinc/80/84/95/568808495.db2.gz IOHUDRFILKDFLI-GOSISDBHSA-N 1 1 433.394 4.354 40 0 IIABMO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)[N@@H+]2C=Cc4ccccc4[C@@H]32)c1 ZINC000103530147 568897253 /nfs/dbraw/zinc/89/72/53/568897253.db2.gz XXAKPPYKBYUAGJ-LUKWVAJMSA-N 1 1 428.532 4.434 40 0 IIABMO CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000248193986 569207550 /nfs/dbraw/zinc/20/75/50/569207550.db2.gz NLTGBYBPOLBEQY-WBAXXEDZSA-N 1 1 441.542 4.065 40 0 IIABMO CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000248193986 569207552 /nfs/dbraw/zinc/20/75/52/569207552.db2.gz NLTGBYBPOLBEQY-WBAXXEDZSA-N 1 1 441.542 4.065 40 0 IIABMO COc1cc(C(=O)Nc2ccc(CC[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)cc(OC)c1OC ZINC000253602765 569209082 /nfs/dbraw/zinc/20/90/82/569209082.db2.gz RLMMNYBLPACGEX-IEBWSBKVSA-N 1 1 426.557 4.485 40 0 IIABMO COc1ccc(NC(=O)[C@H]2C[C@@H](C3CCN(Cc4cccc(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587684 569227238 /nfs/dbraw/zinc/22/72/38/569227238.db2.gz VBBJXKKVJZYQLL-RDPSFJRHSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccc(NC(=O)[C@H]2C[C@@H](C3CCN(Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587684 569227239 /nfs/dbraw/zinc/22/72/39/569227239.db2.gz VBBJXKKVJZYQLL-RDPSFJRHSA-N 1 1 425.548 4.005 40 0 IIABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCC[N@H+]3Cc3ccccn3)on2)cc1 ZINC000019696507 569229778 /nfs/dbraw/zinc/22/97/78/569229778.db2.gz PFYICMJICFQLJV-AREMUKBSSA-N 1 1 432.568 4.395 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000019702213 569231797 /nfs/dbraw/zinc/23/17/97/569231797.db2.gz GNSKIVMUFUBSNR-SFHVURJKSA-N 1 1 446.576 4.210 40 0 IIABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702482 569232044 /nfs/dbraw/zinc/23/20/44/569232044.db2.gz AESNCQVLWYCPNK-INIZCTEOSA-N 1 1 449.555 4.326 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000019702573 569232180 /nfs/dbraw/zinc/23/21/80/569232180.db2.gz BQJZVJUGCSHFTP-QGZVFWFLSA-N 1 1 448.592 4.154 40 0 IIABMO CC1CC[NH+](CCC(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NCc4ccccc4)n3)C2)CC1 ZINC000019705120 569233940 /nfs/dbraw/zinc/23/39/40/569233940.db2.gz ONXRSAMWVTWVKE-OAQYLSRUSA-N 1 1 446.599 4.008 40 0 IIABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)c(Br)cc1OC ZINC000034890119 569248005 /nfs/dbraw/zinc/24/80/05/569248005.db2.gz XBUBXBCFZBNHTC-UHFFFAOYSA-N 1 1 449.414 4.350 40 0 IIABMO CCOc1cc(Br)c(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000108127332 569252435 /nfs/dbraw/zinc/25/24/35/569252435.db2.gz FAAPEAWVKMAFNQ-UHFFFAOYSA-N 1 1 449.414 4.350 40 0 IIABMO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000019687709 569326366 /nfs/dbraw/zinc/32/63/66/569326366.db2.gz QCTXDOPSIFMXST-HSZRJFAPSA-N 1 1 429.568 4.344 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4ccccc4C)C3)nc2C)c1 ZINC000019757935 569328729 /nfs/dbraw/zinc/32/87/29/569328729.db2.gz WDPRPGVCIFNJPJ-JOCHJYFZSA-N 1 1 430.552 4.022 40 0 IIABMO CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)OC2=O ZINC000020292531 569359465 /nfs/dbraw/zinc/35/94/65/569359465.db2.gz HHEWFUZKEUYRFP-RRPNLBNLSA-N 1 1 432.564 4.042 40 0 IIABMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(OC)c2)CC1 ZINC000036628537 521124396 /nfs/dbraw/zinc/12/43/96/521124396.db2.gz LTOMELOCOKOUAT-UHFFFAOYSA-N 1 1 441.535 4.155 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012711750 521633692 /nfs/dbraw/zinc/63/36/92/521633692.db2.gz BYZLHDXGZGEVNA-JOCHJYFZSA-N 1 1 448.567 4.364 40 0 IIABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccc(C(F)(F)F)c5)ccc43)C2)CC1 ZINC000020503181 523770290 /nfs/dbraw/zinc/77/02/90/523770290.db2.gz FGVMCEAYGDOJSY-FUHWJXTLSA-N 1 1 431.502 4.047 40 0 biogenic,in-vitro IIABMO O=C(C[N@H+]1CCC2(C1)CCCCC2)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182881 526732780 /nfs/dbraw/zinc/73/27/80/526732780.db2.gz DENZFSWQSZLHIF-VQTJNVASSA-N 1 1 428.577 4.043 40 0 IIABMO O=c1ccc(-c2ccc3ccccc3c2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503379 527485751 /nfs/dbraw/zinc/48/57/51/527485751.db2.gz SNMCMQVNPFHGBA-PGRDOPGGSA-N 1 1 426.516 4.373 40 0 biogenic,in-vitro IIABMO COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)c(OC)c1OC ZINC000005765726 556065105 /nfs/dbraw/zinc/06/51/05/556065105.db2.gz PZQFCJYFEVRMMG-JCVZSFDNSA-N 1 1 441.524 4.414 40 0 IIABMO COc1cc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)ccc1OC(C)C ZINC000012089648 556402093 /nfs/dbraw/zinc/40/20/93/556402093.db2.gz BAHNLTZILRSMHV-MHZLTWQESA-N 1 1 447.579 4.281 40 0 IIABMO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000015890197 556561565 /nfs/dbraw/zinc/56/15/65/556561565.db2.gz CLZGAJRSBRUMBT-FQEVSTJZSA-N 1 1 430.976 4.270 40 0 IIABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044908897 556680472 /nfs/dbraw/zinc/68/04/72/556680472.db2.gz UNXVMKNRAFTIGS-UHFFFAOYSA-N 1 1 431.374 4.165 40 0 IIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)C1 ZINC000260380196 556691468 /nfs/dbraw/zinc/69/14/68/556691468.db2.gz HSOCHOQVWBUVMJ-SIKLNZKXSA-N 1 1 435.568 4.080 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000019081889 556696811 /nfs/dbraw/zinc/69/68/11/556696811.db2.gz BWUHHFMUGQHLPG-WMZHIEFXSA-N 1 1 425.573 4.214 40 0 IIABMO CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082359 556697364 /nfs/dbraw/zinc/69/73/64/556697364.db2.gz NLTGBYBPOLBEQY-ZTFGCOKTSA-N 1 1 441.542 4.065 40 0 IIABMO CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082359 556697365 /nfs/dbraw/zinc/69/73/65/556697365.db2.gz NLTGBYBPOLBEQY-ZTFGCOKTSA-N 1 1 441.542 4.065 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213584 556702662 /nfs/dbraw/zinc/70/26/62/556702662.db2.gz CIEWXJZIELZWTK-VPUSJEBWSA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213584 556702663 /nfs/dbraw/zinc/70/26/63/556702663.db2.gz CIEWXJZIELZWTK-VPUSJEBWSA-N 1 1 434.580 4.344 40 0 IIABMO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2CCCCC2)C3)cc1 ZINC000019135282 556705708 /nfs/dbraw/zinc/70/57/08/556705708.db2.gz PDOUARSCKROCAJ-QHCPKHFHSA-N 1 1 434.584 4.406 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257336765 556706734 /nfs/dbraw/zinc/70/67/34/556706734.db2.gz YPYJKKJRHQKQLF-BVAGGSTKSA-N 1 1 449.526 4.222 40 0 IIABMO Cc1c(C)n(C[C@H](O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)c2ccccc12 ZINC000257220267 556707487 /nfs/dbraw/zinc/70/74/87/556707487.db2.gz DKFIHUSZDSFLKV-JOCHJYFZSA-N 1 1 432.568 4.064 40 0 IIABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(OC)c(OC)c2)cc1 ZINC000257228217 556708521 /nfs/dbraw/zinc/70/85/21/556708521.db2.gz FSWIXYAZTSGBKP-PKTZIBPZSA-N 1 1 438.568 4.258 40 0 IIABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000019216371 556711916 /nfs/dbraw/zinc/71/19/16/556711916.db2.gz BAPYSICWELXKOR-FCHUYYIVSA-N 1 1 441.535 4.062 40 0 IIABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000019216374 556712189 /nfs/dbraw/zinc/71/21/89/556712189.db2.gz BAPYSICWELXKOR-VXKWHMMOSA-N 1 1 441.535 4.062 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257260486 556712377 /nfs/dbraw/zinc/71/23/77/556712377.db2.gz LDBQLRGGLIAKRI-FQEVSTJZSA-N 1 1 428.536 4.096 40 0 IIABMO O=C1O[C@]2(CC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000257310941 556718536 /nfs/dbraw/zinc/71/85/36/556718536.db2.gz UHGRFBQODVIEEH-SANMLTNESA-N 1 1 429.520 4.258 40 0 IIABMO O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019292802 556732139 /nfs/dbraw/zinc/73/21/39/556732139.db2.gz AWKSFCUWYRBYJJ-OAQYLSRUSA-N 1 1 442.510 4.129 40 0 IIABMO O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019293918 556733075 /nfs/dbraw/zinc/73/30/75/556733075.db2.gz IYIWGPWLALJJOW-QGZVFWFLSA-N 1 1 429.442 4.402 40 0 IIABMO O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019293918 556733079 /nfs/dbraw/zinc/73/30/79/556733079.db2.gz IYIWGPWLALJJOW-QGZVFWFLSA-N 1 1 429.442 4.402 40 0 IIABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]c2=O)C1 ZINC000019448391 556758026 /nfs/dbraw/zinc/75/80/26/556758026.db2.gz JZUUDJGJNSRILY-JOCHJYFZSA-N 1 1 434.584 4.124 40 0 IIABMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002441688 556761156 /nfs/dbraw/zinc/76/11/56/556761156.db2.gz DTRPRDLTKSXMEC-OYLFLEFRSA-N 1 1 427.545 4.192 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523366 556780649 /nfs/dbraw/zinc/78/06/49/556780649.db2.gz XRXXCJCQKVNGMQ-HHHXNRCGSA-N 1 1 443.595 4.014 40 0 IIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019529188 556790490 /nfs/dbraw/zinc/79/04/90/556790490.db2.gz AZKMUCDFPQCGHE-HHHXNRCGSA-N 1 1 443.595 4.233 40 0 IIABMO COc1cccc(C[N@H+]2CC=CC[C@@]3(C(=O)NCc4ccc(F)cc4)CCC[C@@H]23)c1OC ZINC000019567563 556807628 /nfs/dbraw/zinc/80/76/28/556807628.db2.gz GXESZFCZVDZEOJ-ZEQKJWHPSA-N 1 1 438.543 4.460 40 0 IIABMO CC(C)Nc1[nH]nc2nc([C@H]3CCCN(C(=O)CCC[NH+]4CCCCCC4)C3)ccc21 ZINC000019742267 556886202 /nfs/dbraw/zinc/88/62/02/556886202.db2.gz PJTBEHIASXQDGL-IBGZPJMESA-N 1 1 426.609 4.140 40 0 IIABMO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+](CC(=O)N4CCCCC4)CC3)c12 ZINC000072336024 556909118 /nfs/dbraw/zinc/90/91/18/556909118.db2.gz LEGXTCJMAVTBGK-UHFFFAOYSA-N 1 1 439.604 4.019 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)c1 ZINC000072353237 556925996 /nfs/dbraw/zinc/92/59/96/556925996.db2.gz RWCBHOUINZRUQN-XMMPIXPASA-N 1 1 445.567 4.333 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)c1 ZINC000072353237 556925999 /nfs/dbraw/zinc/92/59/99/556925999.db2.gz RWCBHOUINZRUQN-XMMPIXPASA-N 1 1 445.567 4.333 40 0 IIABMO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@H+](Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000072353753 556928014 /nfs/dbraw/zinc/92/80/14/556928014.db2.gz VSYGHIGIEDRKRO-KRWDZBQOSA-N 1 1 430.531 4.440 40 0 IIABMO CC[NH+]1CCC(CC(=O)N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)CC1 ZINC000072371805 556940790 /nfs/dbraw/zinc/94/07/90/556940790.db2.gz HHKKWEVRTIMPBI-IBGZPJMESA-N 1 1 445.007 4.123 40 0 IIABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372260 556941864 /nfs/dbraw/zinc/94/18/64/556941864.db2.gz RIOXGTKHLKPXFC-RUZDIDTESA-N 1 1 449.639 4.368 40 0 IIABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372252 556941941 /nfs/dbraw/zinc/94/19/41/556941941.db2.gz UQYKJLLOVQANEQ-XMMPIXPASA-N 1 1 435.612 4.325 40 0 IIABMO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cc1 ZINC000072372520 556943124 /nfs/dbraw/zinc/94/31/24/556943124.db2.gz HBGKUZYPOYHFBT-FQEVSTJZSA-N 1 1 444.582 4.433 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(Nc4cnccn4)cc(C)n3)C1)OCCO2 ZINC000072375042 556950487 /nfs/dbraw/zinc/95/04/87/556950487.db2.gz GHRXTEDMFVGWIR-SFHVURJKSA-N 1 1 447.539 4.083 40 0 IIABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc3nc(C)cc(C)n3)n1)OCCO2 ZINC000072375789 556953023 /nfs/dbraw/zinc/95/30/23/556953023.db2.gz YBUVFNAEZVBIRZ-FQEVSTJZSA-N 1 1 447.539 4.349 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(Nc3nc(C)cc(C)n3)n1)OCCO2 ZINC000072375789 556953027 /nfs/dbraw/zinc/95/30/27/556953027.db2.gz YBUVFNAEZVBIRZ-FQEVSTJZSA-N 1 1 447.539 4.349 40 0 IIABMO CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ccncc1 ZINC000072380044 556957266 /nfs/dbraw/zinc/95/72/66/556957266.db2.gz YPTGQLNHZIVRTI-HXUWFJFHSA-N 1 1 437.609 4.348 40 0 IIABMO CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000072380081 556957641 /nfs/dbraw/zinc/95/76/41/556957641.db2.gz OSOQZKJPDYZEHP-FQEVSTJZSA-N 1 1 437.609 4.348 40 0 IIABMO CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000257233292 556984888 /nfs/dbraw/zinc/98/48/88/556984888.db2.gz GOQOOLMUGPAJEN-WGSAOQKQSA-N 1 1 438.597 4.246 40 0 IIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3C)cc2)CC1 ZINC000409184431 556990717 /nfs/dbraw/zinc/99/07/17/556990717.db2.gz LCNXBDKFIGSTKQ-UHFFFAOYSA-N 1 1 429.564 4.256 40 0 IIABMO c1[nH]nc2cccc(C[C@@H]3COCC[N@H+](Cc4cccc(OCc5ccccn5)c4)C3)c12 ZINC000585261950 557197910 /nfs/dbraw/zinc/19/79/10/557197910.db2.gz KKWQRKTZRAJPJH-NRFANRHFSA-N 1 1 428.536 4.228 40 0 IIABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219239530 557232504 /nfs/dbraw/zinc/23/25/04/557232504.db2.gz CGOIFLLEEJIAPY-WZONZLPQSA-N 1 1 428.598 4.203 40 0 IIABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c12 ZINC000057584837 557249983 /nfs/dbraw/zinc/24/99/83/557249983.db2.gz QXSMFAGUYZCFRZ-XMMPIXPASA-N 1 1 442.567 4.225 40 0 IIABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)c(=O)[nH]c12 ZINC000057584837 557249988 /nfs/dbraw/zinc/24/99/88/557249988.db2.gz QXSMFAGUYZCFRZ-XMMPIXPASA-N 1 1 442.567 4.225 40 0 IIABMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2F)CC1)N(c1ccccc1)c1ccccc1 ZINC000057681247 557254929 /nfs/dbraw/zinc/25/49/29/557254929.db2.gz XBAQBDMFWGLPMO-UHFFFAOYSA-N 1 1 431.511 4.385 40 0 IIABMO COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928548 557271542 /nfs/dbraw/zinc/27/15/42/557271542.db2.gz JRJNFJBYCFVRBF-RUZDIDTESA-N 1 1 446.599 4.094 40 0 IIABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000013065587 557279545 /nfs/dbraw/zinc/27/95/45/557279545.db2.gz PIFOPMFYEVEITJ-UHFFFAOYSA-N 1 1 446.555 4.108 40 0 IIABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000013065587 557279546 /nfs/dbraw/zinc/27/95/46/557279546.db2.gz PIFOPMFYEVEITJ-UHFFFAOYSA-N 1 1 446.555 4.108 40 0 IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344830 557377004 /nfs/dbraw/zinc/37/70/04/557377004.db2.gz RSSFOWICYQFPOD-OAQYLSRUSA-N 1 1 432.568 4.379 40 0 IIABMO COc1ccc(/C=C(/C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)cc1 ZINC000224541476 557618759 /nfs/dbraw/zinc/61/87/59/557618759.db2.gz CNCYFGCCUQMHJZ-ZXVVBBHZSA-N 1 1 442.559 4.384 40 0 IIABMO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225873279 557787718 /nfs/dbraw/zinc/78/77/18/557787718.db2.gz IIPSDQVRJWPCCT-UHFFFAOYSA-N 1 1 439.878 4.238 40 0 IIABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccccc1 ZINC000059557235 557827476 /nfs/dbraw/zinc/82/74/76/557827476.db2.gz SHAFDJVWUODGJO-UHFFFAOYSA-N 1 1 448.567 4.275 40 0 IIABMO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@H](C(C)(C)O)C1)[C@]4(C)O3 ZINC000253504116 560037814 /nfs/dbraw/zinc/03/78/14/560037814.db2.gz CQJSMSATJDJBEL-QWJWWHNYSA-N 1 1 439.596 4.028 40 0 biogenic,in-vitro IIABMO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262266 568616278 /nfs/dbraw/zinc/61/62/78/568616278.db2.gz IYLFWBWWBAZNRQ-CZYKHXBRSA-N 1 1 446.975 4.246 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585270052 568616796 /nfs/dbraw/zinc/61/67/96/568616796.db2.gz BHMSJIZUSCKDGG-SANMLTNESA-N 1 1 435.568 4.067 40 0 IIABMO Cc1ccn(CCOc2ccc(C[N@H+]3CCC[C@](O)(COc4ccc(C)cc4)CC3)cc2)n1 ZINC000585272952 568618189 /nfs/dbraw/zinc/61/81/89/568618189.db2.gz LQNIOAAKYYYPDL-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO COc1cc(C)ccc1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[N@@H+](C)[C@@H]2Cc1ccccc1 ZINC000257218290 568673457 /nfs/dbraw/zinc/67/34/57/568673457.db2.gz DCODMOXFCAEXJX-IITZRFRKSA-N 1 1 448.607 4.467 40 0 IIABMO CCn1cc(CN2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)c(C)n1 ZINC000257230667 568679054 /nfs/dbraw/zinc/67/90/54/568679054.db2.gz GDINNBRKSLSSRQ-RUZDIDTESA-N 1 1 437.588 4.253 40 0 IIABMO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257251737 568689437 /nfs/dbraw/zinc/68/94/37/568689437.db2.gz JRYPLQBRMMXIRZ-FQEVSTJZSA-N 1 1 439.506 4.382 40 0 IIABMO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257251737 568689439 /nfs/dbraw/zinc/68/94/39/568689439.db2.gz JRYPLQBRMMXIRZ-FQEVSTJZSA-N 1 1 439.506 4.382 40 0 IIABMO Cc1nc2cc([C@H]3CC[N@@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257254771 568690764 /nfs/dbraw/zinc/69/07/64/568690764.db2.gz KEOSTFFZJHYLTF-QFIPXVFZSA-N 1 1 445.611 4.327 40 0 IIABMO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2[N@@H+]3Cc1ccc(OCC(=O)[O-])cc1 ZINC000257276953 568700856 /nfs/dbraw/zinc/70/08/56/568700856.db2.gz NVWJATURCVAWOQ-GAYSTUHSSA-N 1 1 434.580 4.256 40 0 IIABMO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2[N@H+]3Cc1ccc(OCC(=O)[O-])cc1 ZINC000257276953 568700858 /nfs/dbraw/zinc/70/08/58/568700858.db2.gz NVWJATURCVAWOQ-GAYSTUHSSA-N 1 1 434.580 4.256 40 0 IIABMO Cc1cc(Nc2nccs2)cc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000257285395 568704527 /nfs/dbraw/zinc/70/45/27/568704527.db2.gz PGWPNFPVADNRNI-GOSISDBHSA-N 1 1 448.596 4.160 40 0 IIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]2c2ccccc2)CC1 ZINC000257315558 568717934 /nfs/dbraw/zinc/71/79/34/568717934.db2.gz VBXNGXPNAAQKQX-OAQYLSRUSA-N 1 1 430.951 4.334 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137249 568769871 /nfs/dbraw/zinc/76/98/71/568769871.db2.gz QQMHUOLHBNWISE-SQHAQQRYSA-N 1 1 443.595 4.186 40 0 IIABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328984919 568808657 /nfs/dbraw/zinc/80/86/57/568808657.db2.gz HQQIZVGPCVDBRC-GOSISDBHSA-N 1 1 438.494 4.490 40 0 IIABMO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)cc2ccccc21 ZINC000257198530 568921690 /nfs/dbraw/zinc/92/16/90/568921690.db2.gz BKDVITVGXLIYEZ-LNEBKTTKSA-N 1 1 433.596 4.323 40 0 IIABMO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc2ccccc21 ZINC000257198531 568921698 /nfs/dbraw/zinc/92/16/98/568921698.db2.gz BKDVITVGXLIYEZ-NZCWTCFWSA-N 1 1 433.596 4.323 40 0 IIABMO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199310 568921878 /nfs/dbraw/zinc/92/18/78/568921878.db2.gz ZBKDYXFBRCYKLP-SCDRESIJSA-N 1 1 429.568 4.255 40 0 IIABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000247998985 569206821 /nfs/dbraw/zinc/20/68/21/569206821.db2.gz NDQNERDUFDHKSZ-PNIUZAESSA-N 1 1 447.623 4.089 40 0 IIABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[nH]c(=O)c2C1 ZINC000253599413 569209118 /nfs/dbraw/zinc/20/91/18/569209118.db2.gz PMNWPCUMKYGKHY-YLJYHZDGSA-N 1 1 438.597 4.130 40 0 IIABMO COc1cc(C(=O)Nc2ccc(CC[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cc(OC)c1OC ZINC000012182099 569224885 /nfs/dbraw/zinc/22/48/85/569224885.db2.gz RLMMNYBLPACGEX-PKOBYXMFSA-N 1 1 426.557 4.485 40 0 IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000019133401 569226183 /nfs/dbraw/zinc/22/61/83/569226183.db2.gz UIALLSRHFRDELP-PGRDOPGGSA-N 1 1 436.581 4.238 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454982 569226684 /nfs/dbraw/zinc/22/66/84/569226684.db2.gz MMADUJRTUVNODE-CJFMBICVSA-N 1 1 425.573 4.099 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456103 569226697 /nfs/dbraw/zinc/22/66/97/569226697.db2.gz BOJYNDITWNBKRV-JIPXPUAJSA-N 1 1 428.580 4.318 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000019555084 569227015 /nfs/dbraw/zinc/22/70/15/569227015.db2.gz BUOPIQIXEGJGMJ-YIXXDRMTSA-N 1 1 429.564 4.402 40 0 IIABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@@H+](C)Cc2cn(C(C)C)c3ccccc23)cc(N(C)C)n1 ZINC000019709796 569234731 /nfs/dbraw/zinc/23/47/31/569234731.db2.gz BHDLEGWVDSYBFX-XMMPIXPASA-N 1 1 448.615 4.394 40 0 IIABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@H+](C)Cc2cn(C(C)C)c3ccccc23)cc(N(C)C)n1 ZINC000019709796 569234732 /nfs/dbraw/zinc/23/47/32/569234732.db2.gz BHDLEGWVDSYBFX-XMMPIXPASA-N 1 1 448.615 4.394 40 0 IIABMO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)C1 ZINC000019738978 569236353 /nfs/dbraw/zinc/23/63/53/569236353.db2.gz NFZJGJCPLNEOOO-HXUWFJFHSA-N 1 1 446.599 4.056 40 0 IIABMO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000036719524 524028818 /nfs/dbraw/zinc/02/88/18/524028818.db2.gz PFLPYMVRCNCHSB-UWJYYQICSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000036719524 524028821 /nfs/dbraw/zinc/02/88/21/524028821.db2.gz PFLPYMVRCNCHSB-UWJYYQICSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1OC ZINC000012329256 524029100 /nfs/dbraw/zinc/02/91/00/524029100.db2.gz WULDEAHNZMYPCP-QUCCMNQESA-N 1 1 448.485 4.459 40 0 IIABMO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)c(OC)c1 ZINC000012188325 524029532 /nfs/dbraw/zinc/02/95/32/524029532.db2.gz TXUNCVFYZXBRSK-UTKZUKDTSA-N 1 1 448.485 4.459 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)c(OC)c1 ZINC000012188325 524029533 /nfs/dbraw/zinc/02/95/33/524029533.db2.gz TXUNCVFYZXBRSK-UTKZUKDTSA-N 1 1 448.485 4.459 40 0 IIABMO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000038851876 556625001 /nfs/dbraw/zinc/62/50/01/556625001.db2.gz GJMSHNWZHUVYIZ-UHFFFAOYSA-N 1 1 445.357 4.395 40 0 IIABMO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019135451 556706116 /nfs/dbraw/zinc/70/61/16/556706116.db2.gz VWVQCGNSMJRCQH-HSZRJFAPSA-N 1 1 434.584 4.137 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257341728 556707135 /nfs/dbraw/zinc/70/71/35/556707135.db2.gz ZLSNGIIBSCRHQI-SANMLTNESA-N 1 1 444.535 4.262 40 0 IIABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000257242601 556710724 /nfs/dbraw/zinc/71/07/24/556710724.db2.gz IDGVSHNPVOTVHE-MHZLTWQESA-N 1 1 429.564 4.283 40 0 IIABMO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@@H+](CCCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219472 556713754 /nfs/dbraw/zinc/71/37/54/556713754.db2.gz GCDMZJNFMVQIJJ-SANMLTNESA-N 1 1 438.543 4.373 40 0 IIABMO Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)cc2c1 ZINC000019221145 556715425 /nfs/dbraw/zinc/71/54/25/556715425.db2.gz GIRGQYVMWNXUES-HSZRJFAPSA-N 1 1 445.567 4.091 40 0 IIABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(OCc3cccc(F)c3)cc1)C2 ZINC000019291387 556731379 /nfs/dbraw/zinc/73/13/79/556731379.db2.gz OOOMHEOJXSXHKI-KMXBQNHCSA-N 1 1 435.543 4.258 40 0 IIABMO O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019370758 556748233 /nfs/dbraw/zinc/74/82/33/556748233.db2.gz HOUXZYYBYRYRQU-DEOSSOPVSA-N 1 1 448.611 4.417 40 0 IIABMO CC(C)Oc1cccc(C[N@H+]2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019450814 556761528 /nfs/dbraw/zinc/76/15/28/556761528.db2.gz YFXKUWYUJWKSRR-HHHXNRCGSA-N 1 1 429.564 4.456 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456105 556765593 /nfs/dbraw/zinc/76/55/93/556765593.db2.gz BOJYNDITWNBKRV-ZBLYBZFDSA-N 1 1 428.580 4.318 40 0 IIABMO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000019523328 556780870 /nfs/dbraw/zinc/78/08/70/556780870.db2.gz LWHWNXGCFIUGCL-RUZDIDTESA-N 1 1 434.609 4.338 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C1)CCC2 ZINC000019550532 556795334 /nfs/dbraw/zinc/79/53/34/556795334.db2.gz ZGBFEULRVBEJIB-MUUNZHRXSA-N 1 1 441.575 4.166 40 0 IIABMO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]4CN(C(=O)c5cccc(F)c5)C[C@@H]43)cn2)cc1 ZINC000019558590 556800542 /nfs/dbraw/zinc/80/05/42/556800542.db2.gz ZRCHAANPAZZNLZ-QPPBQGQZSA-N 1 1 446.526 4.028 40 0 IIABMO COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]4CN(C(=O)c5cccc(F)c5)C[C@@H]43)cn2)cc1 ZINC000019558590 556800545 /nfs/dbraw/zinc/80/05/45/556800545.db2.gz ZRCHAANPAZZNLZ-QPPBQGQZSA-N 1 1 446.526 4.028 40 0 IIABMO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(=O)NC4CCCCC4)CC3)c(=O)c2c1C ZINC000019561270 556802499 /nfs/dbraw/zinc/80/24/99/556802499.db2.gz HHVHGWJRXKTURM-UHFFFAOYSA-N 1 1 442.629 4.038 40 0 IIABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584422 556821811 /nfs/dbraw/zinc/82/18/11/556821811.db2.gz XFVHVIMEGPBQQE-OAQYLSRUSA-N 1 1 447.583 4.139 40 0 IIABMO C[N@@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(Cc2ccncc2)CC1 ZINC000019587749 556823987 /nfs/dbraw/zinc/82/39/87/556823987.db2.gz LYCQLEGBIQIYBV-DENIHFKCSA-N 1 1 446.517 4.271 40 0 IIABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(Cc2ccncc2)CC1 ZINC000019587749 556823990 /nfs/dbraw/zinc/82/39/90/556823990.db2.gz LYCQLEGBIQIYBV-DENIHFKCSA-N 1 1 446.517 4.271 40 0 IIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019591341 556826458 /nfs/dbraw/zinc/82/64/58/556826458.db2.gz TYYBXKZPJHLAOT-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO CNc1ncccc1C[N@H+]1CCC[C@](Cc2ccccc2-c2ccncc2)(C(=O)N(C)C)C1 ZINC000019592042 556827946 /nfs/dbraw/zinc/82/79/46/556827946.db2.gz OZAGVXJBVBSKQQ-HHHXNRCGSA-N 1 1 443.595 4.098 40 0 IIABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019690023 556845242 /nfs/dbraw/zinc/84/52/42/556845242.db2.gz AXMMTIGFMGGZRY-FQEVSTJZSA-N 1 1 438.963 4.122 40 0 IIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)C[C@@H]4CC=CCC4)nc32)c1 ZINC000019698624 556857127 /nfs/dbraw/zinc/85/71/27/556857127.db2.gz IUQGBSVTOYPXFF-OAQYLSRUSA-N 1 1 434.584 4.104 40 0 IIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)C[C@@H]4CC=CCC4)nc32)c1 ZINC000019698624 556857131 /nfs/dbraw/zinc/85/71/31/556857131.db2.gz IUQGBSVTOYPXFF-OAQYLSRUSA-N 1 1 434.584 4.104 40 0 IIABMO COc1cccc(CN2CCCc3c(C)nc([C@H]4CCC[N@H+](C5CCOCC5)C4)nc32)c1 ZINC000019706629 556864889 /nfs/dbraw/zinc/86/48/89/556864889.db2.gz WKQRNRSYXDNGDI-NRFANRHFSA-N 1 1 436.600 4.105 40 0 IIABMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019761763 556905315 /nfs/dbraw/zinc/90/53/15/556905315.db2.gz GUCDRAUADFALMD-NRFANRHFSA-N 1 1 439.563 4.185 40 0 IIABMO O=C(NCCO)c1cc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc2ccccc21 ZINC000019761883 556905583 /nfs/dbraw/zinc/90/55/83/556905583.db2.gz IJJPUBDYKFRTIC-HNNXBMFYSA-N 1 1 444.362 4.253 40 0 IIABMO CNc1ncccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330517 556906203 /nfs/dbraw/zinc/90/62/03/556906203.db2.gz ZEPZIXAPDGWRED-XXBNENTESA-N 1 1 433.531 4.041 40 0 IIABMO Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CC[NH+](CC(=O)NC(C)(C)C)CC3)c12 ZINC000072336006 556909107 /nfs/dbraw/zinc/90/91/07/556909107.db2.gz VXEVCKUFEDITBG-UHFFFAOYSA-N 1 1 441.620 4.311 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 ZINC000072353271 556926289 /nfs/dbraw/zinc/92/62/89/556926289.db2.gz AYKLCDCYAKCJPW-IBGZPJMESA-N 1 1 446.555 4.059 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 ZINC000072353271 556926292 /nfs/dbraw/zinc/92/62/92/556926292.db2.gz AYKLCDCYAKCJPW-IBGZPJMESA-N 1 1 446.555 4.059 40 0 IIABMO CCN(CC)C(=O)C[N@H+]1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N(C)C ZINC000072370713 556936342 /nfs/dbraw/zinc/93/63/42/556936342.db2.gz CSHFQXJEBBDEDD-GOSISDBHSA-N 1 1 429.630 4.259 40 0 IIABMO CCN(CC)C(=O)C[N@H+]1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)N(C)C ZINC000072370714 556936409 /nfs/dbraw/zinc/93/64/09/556936409.db2.gz CSHFQXJEBBDEDD-SFHVURJKSA-N 1 1 429.630 4.259 40 0 IIABMO NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000072370758 556936471 /nfs/dbraw/zinc/93/64/71/556936471.db2.gz KGPSYBMQRNWXLM-LJQANCHMSA-N 1 1 449.624 4.378 40 0 IIABMO Cc1cc(N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)nc(C)[nH+]1 ZINC000072371424 556938587 /nfs/dbraw/zinc/93/85/87/556938587.db2.gz FHWMTYVRTSPPRF-MRXNPFEDSA-N 1 1 431.462 4.451 40 0 IIABMO Cc1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000072371464 556939030 /nfs/dbraw/zinc/93/90/30/556939030.db2.gz FRUJQFNJRFTBAA-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C ZINC000072371464 556939033 /nfs/dbraw/zinc/93/90/33/556939033.db2.gz FRUJQFNJRFTBAA-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C ZINC000072371464 556939035 /nfs/dbraw/zinc/93/90/35/556939035.db2.gz FRUJQFNJRFTBAA-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO CCn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371661 556940068 /nfs/dbraw/zinc/94/00/68/556940068.db2.gz KFTQCSVHKXLDCI-KRWDZBQOSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371661 556940072 /nfs/dbraw/zinc/94/00/72/556940072.db2.gz KFTQCSVHKXLDCI-KRWDZBQOSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371661 556940077 /nfs/dbraw/zinc/94/00/77/556940077.db2.gz KFTQCSVHKXLDCI-KRWDZBQOSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1ccnc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371756 556940751 /nfs/dbraw/zinc/94/07/51/556940751.db2.gz VYHIJSNTVALIBD-MRXNPFEDSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1ccnc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371756 556940754 /nfs/dbraw/zinc/94/07/54/556940754.db2.gz VYHIJSNTVALIBD-MRXNPFEDSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1ccnc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371756 556940755 /nfs/dbraw/zinc/94/07/55/556940755.db2.gz VYHIJSNTVALIBD-MRXNPFEDSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1ccnc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371756 556940758 /nfs/dbraw/zinc/94/07/58/556940758.db2.gz VYHIJSNTVALIBD-MRXNPFEDSA-N 1 1 433.478 4.256 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCCO4)c2)n1 ZINC000072372504 556942907 /nfs/dbraw/zinc/94/29/07/556942907.db2.gz NTSZLQPWFDDCAH-NRFANRHFSA-N 1 1 445.523 4.289 40 0 IIABMO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)cc1 ZINC000072372521 556943133 /nfs/dbraw/zinc/94/31/33/556943133.db2.gz HBGKUZYPOYHFBT-HXUWFJFHSA-N 1 1 444.582 4.433 40 0 IIABMO CCOC(=O)Cn1c(Cl)c(C[N@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)sc1=O ZINC000072389699 556959872 /nfs/dbraw/zinc/95/98/72/556959872.db2.gz YHFHJHLYYJIOKS-KRWDZBQOSA-N 1 1 434.989 4.286 40 0 IIABMO O=C(N[C@@H](c1nccs1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccn1 ZINC000072394620 556966245 /nfs/dbraw/zinc/96/62/45/556966245.db2.gz AIKFTESYJOPTTK-HXUWFJFHSA-N 1 1 428.508 4.200 40 0 IIABMO COc1ccc2c(c1)c([C@H]1C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]1NC(C)=O)cn2C ZINC000072395550 556967398 /nfs/dbraw/zinc/96/73/98/556967398.db2.gz QWXDKEVLPBMUOB-GCJKJVERSA-N 1 1 429.923 4.084 40 0 IIABMO COc1ccc2c(c1)c([C@H]1C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]1NC(C)=O)cn2C ZINC000072395550 556967400 /nfs/dbraw/zinc/96/74/00/556967400.db2.gz QWXDKEVLPBMUOB-GCJKJVERSA-N 1 1 429.923 4.084 40 0 IIABMO C[N@H+]1CCCN(C(=O)c2cc(-c3csc(Cc4ccccc4)n3)n3ccccc23)CC1 ZINC000096154870 557178960 /nfs/dbraw/zinc/17/89/60/557178960.db2.gz REKVILMLOFSVAI-UHFFFAOYSA-N 1 1 430.577 4.431 40 0 IIABMO c1[nH]nc2cccc(C[C@@H]3COCC[N@H+](Cc4ccccc4OCc4cccnc4)C3)c12 ZINC000585261963 557198016 /nfs/dbraw/zinc/19/80/16/557198016.db2.gz QSQMYDMVQZXZCX-NRFANRHFSA-N 1 1 428.536 4.228 40 0 IIABMO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000025540857 557213685 /nfs/dbraw/zinc/21/36/85/557213685.db2.gz LRLXUQCQYHLPOQ-BEYHJKFUSA-N 1 1 427.497 4.023 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585272674 557217277 /nfs/dbraw/zinc/21/72/77/557217277.db2.gz VJJYCZIJMXMNMN-HHHXNRCGSA-N 1 1 449.595 4.457 40 0 IIABMO CCOc1ccc([C@H](c2nnnn2C(C)(C)CC)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928786 557271956 /nfs/dbraw/zinc/27/19/56/557271956.db2.gz BAPKYGCKLHBBHO-XMMPIXPASA-N 1 1 448.615 4.124 40 0 IIABMO O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000221373111 557315234 /nfs/dbraw/zinc/31/52/34/557315234.db2.gz OUNNGEMOBLNPCH-UHFFFAOYSA-N 1 1 427.548 4.334 40 0 IIABMO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538578 557618245 /nfs/dbraw/zinc/61/82/45/557618245.db2.gz GIUXPAUMEBIKFH-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000224545314 557619817 /nfs/dbraw/zinc/61/98/17/557619817.db2.gz PZDIDMKQGSFLLT-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000225269657 557707127 /nfs/dbraw/zinc/70/71/27/557707127.db2.gz XQKYNUPWUNGGPP-GOSISDBHSA-N 1 1 435.351 4.162 40 0 IIABMO Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000096116290 557837936 /nfs/dbraw/zinc/83/79/36/557837936.db2.gz HJEJCUCBSCBGCE-CUNXSJBXSA-N 1 1 435.612 4.050 40 0 IIABMO Cc1ccccc1C[N@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262278 568616384 /nfs/dbraw/zinc/61/63/84/568616384.db2.gz UNRPJBMLBJSRLS-LUKWVAJMSA-N 1 1 444.547 4.040 40 0 IIABMO Cc1nccn1CCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270931 568617829 /nfs/dbraw/zinc/61/78/29/568617829.db2.gz DRUOEOMSRCZPHD-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO Cc1nccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274777 568618606 /nfs/dbraw/zinc/61/86/06/568618606.db2.gz ZLLRMFRKRUBJCV-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)c1C ZINC000257201047 568665329 /nfs/dbraw/zinc/66/53/29/568665329.db2.gz AFYZUACHISNESY-AREMUKBSSA-N 1 1 445.563 4.355 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)c1C ZINC000257201047 568665332 /nfs/dbraw/zinc/66/53/32/568665332.db2.gz AFYZUACHISNESY-AREMUKBSSA-N 1 1 445.563 4.355 40 0 IIABMO COc1ccc(CC[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cc1 ZINC000257202300 568666046 /nfs/dbraw/zinc/66/60/46/568666046.db2.gz ALESNWSNGRFGSI-DEOSSOPVSA-N 1 1 441.959 4.309 40 0 IIABMO COc1ccc(CC[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cc1 ZINC000257202300 568666049 /nfs/dbraw/zinc/66/60/49/568666049.db2.gz ALESNWSNGRFGSI-DEOSSOPVSA-N 1 1 441.959 4.309 40 0 IIABMO COc1cccc2cc(CNc3cc(-c4cn[nH]c4[C@H]4CCN(C(C)=O)C4)ccn3)oc21 ZINC000257264138 568695034 /nfs/dbraw/zinc/69/50/34/568695034.db2.gz LTBWCROSZGSIRH-SFHVURJKSA-N 1 1 431.496 4.174 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@H](Cc3cccc4cccnc43)C2)c1 ZINC000257266063 568695737 /nfs/dbraw/zinc/69/57/37/568695737.db2.gz MBKPNBLHWXEVKR-JOCHJYFZSA-N 1 1 440.547 4.119 40 0 IIABMO Cc1cc(Nc2nccs2)cc([C@H]2CCC[N@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000257285396 568704481 /nfs/dbraw/zinc/70/44/81/568704481.db2.gz PGWPNFPVADNRNI-SFHVURJKSA-N 1 1 448.596 4.160 40 0 IIABMO Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(Nc5ncccc5C)cc(C)[nH+]4)C3)c2c1 ZINC000257293916 568708356 /nfs/dbraw/zinc/70/83/56/568708356.db2.gz QRRVJMUHTGSQCC-QFIPXVFZSA-N 1 1 442.523 4.235 40 0 IIABMO C[N@@H+](CCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257295136 568708979 /nfs/dbraw/zinc/70/89/79/568708979.db2.gz QXDDELFGUZIAMR-DEOSSOPVSA-N 1 1 449.986 4.301 40 0 IIABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCCNc2ncnc3ccccc32)n1 ZINC000257315061 568717728 /nfs/dbraw/zinc/71/77/28/568717728.db2.gz UZSXYEJFBPQCNE-QFIPXVFZSA-N 1 1 441.539 4.075 40 0 IIABMO COc1ccc2c(C[N@@H+]3CCO[C@@H](c4cccc(Nc5ccc(F)cn5)n4)C3)cn(C)c2c1 ZINC000257325705 568722597 /nfs/dbraw/zinc/72/25/97/568722597.db2.gz WUCCTBBECBPLOV-HSZRJFAPSA-N 1 1 447.514 4.433 40 0 IIABMO COc1ccc2c(C[N@H+]3CCO[C@@H](c4cccc(Nc5ccc(F)cn5)n4)C3)cn(C)c2c1 ZINC000257325705 568722599 /nfs/dbraw/zinc/72/25/99/568722599.db2.gz WUCCTBBECBPLOV-HSZRJFAPSA-N 1 1 447.514 4.433 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCCN(Cc1ccccn1)C2=O ZINC000306127762 568764917 /nfs/dbraw/zinc/76/49/17/568764917.db2.gz GGVGRLPUXMVVTD-WIOPSUGQSA-N 1 1 449.624 4.329 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306130527 568766199 /nfs/dbraw/zinc/76/61/99/568766199.db2.gz JIXJFMVXUNTGMK-AZGAKELHSA-N 1 1 447.966 4.132 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130846 568766312 /nfs/dbraw/zinc/76/63/12/568766312.db2.gz JRBQZPIJVRJBOH-OZXSUGGESA-N 1 1 447.558 4.016 40 0 IIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5cccnc5OC)C4)nn3c2)c1 ZINC000306143602 568773499 /nfs/dbraw/zinc/77/34/99/568773499.db2.gz YGSVMJBMBSLJNU-FQEVSTJZSA-N 1 1 429.524 4.188 40 0 IIABMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000248194489 569207508 /nfs/dbraw/zinc/20/75/08/569207508.db2.gz OBWPIEQNTSOJDY-USXIJHARSA-N 1 1 443.558 4.311 40 0 IIABMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000248194489 569207509 /nfs/dbraw/zinc/20/75/09/569207509.db2.gz OBWPIEQNTSOJDY-USXIJHARSA-N 1 1 443.558 4.311 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000019551499 569227086 /nfs/dbraw/zinc/22/70/86/569227086.db2.gz PNFINCDYPJJPDZ-NBGIEHNGSA-N 1 1 437.584 4.359 40 0 IIABMO COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587644 569227170 /nfs/dbraw/zinc/22/71/70/569227170.db2.gz JRHLZFNEQBHRMP-DVECYGJZSA-N 1 1 443.538 4.144 40 0 IIABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCC[N@H+]3Cc3ccncc3)on2)cc1 ZINC000019696505 569229787 /nfs/dbraw/zinc/22/97/87/569229787.db2.gz KPVPCPASNRDWIQ-AREMUKBSSA-N 1 1 432.568 4.395 40 0 IIABMO C[C@H]1CC[C@@H]2[N@H+](C[C@@H]3[C@@H]4C[C@H]5[C@H](CC(=O)[C@H]6CC(=O)CC[C@]56C)[C@@H]4CC[C@@H]3[C@]2(C)O)C1 ZINC000070665691 569315208 /nfs/dbraw/zinc/31/52/08/569315208.db2.gz HIDAYMRWVVNXAO-NXGJOZORSA-N 1 1 427.629 4.095 40 0 biogenic IIABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)c1 ZINC000019687683 569326354 /nfs/dbraw/zinc/32/63/54/569326354.db2.gz FLZVXWWNSUIFGY-HSZRJFAPSA-N 1 1 445.567 4.044 40 0 IIABMO Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000034910261 555560612 /nfs/dbraw/zinc/56/06/12/555560612.db2.gz POJGMPRXMPWLSJ-FYJGNVAPSA-N 1 1 432.480 4.255 40 0 IIABMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000030939265 556515939 /nfs/dbraw/zinc/51/59/39/556515939.db2.gz OPLZCLLIYJDASL-IBGZPJMESA-N 1 1 443.613 4.201 40 0 IIABMO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000038834783 556622835 /nfs/dbraw/zinc/62/28/35/556622835.db2.gz NDENZTJSDCMOSK-UHFFFAOYSA-N 1 1 433.346 4.317 40 0 IIABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044911484 556680929 /nfs/dbraw/zinc/68/09/29/556680929.db2.gz VCIDEVMNZZXQTH-UHFFFAOYSA-N 1 1 445.357 4.477 40 0 IIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)C1 ZINC000260380188 556691568 /nfs/dbraw/zinc/69/15/68/556691568.db2.gz HSOCHOQVWBUVMJ-DENIHFKCSA-N 1 1 435.568 4.080 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000019081775 556696404 /nfs/dbraw/zinc/69/64/04/556696404.db2.gz HREILENEUGTJQZ-CJFMBICVSA-N 1 1 449.595 4.482 40 0 IIABMO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019209755 556708874 /nfs/dbraw/zinc/70/88/74/556708874.db2.gz YFYVYJYFHUIIRS-XMMPIXPASA-N 1 1 448.611 4.065 40 0 IIABMO COc1ccccc1-c1cccc(CC2(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CCOCC2)c1 ZINC000257231818 556709282 /nfs/dbraw/zinc/70/92/82/556709282.db2.gz GIHURWAXKOLCQQ-JOCHJYFZSA-N 1 1 436.596 4.160 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242356 556710755 /nfs/dbraw/zinc/71/07/55/556710755.db2.gz ICBVTRQQQDWWMW-GMAHTHKFSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242356 556710759 /nfs/dbraw/zinc/71/07/59/556710759.db2.gz ICBVTRQQQDWWMW-GMAHTHKFSA-N 1 1 448.485 4.484 40 0 IIABMO Cc1cccc(C[N@@H+]2CC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236141 556720854 /nfs/dbraw/zinc/72/08/54/556720854.db2.gz MSIGIGUTPKOZCE-MHZLTWQESA-N 1 1 428.580 4.411 40 0 IIABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000019237790 556722848 /nfs/dbraw/zinc/72/28/48/556722848.db2.gz IRSHULNKOTXEDY-NLFFAJNJSA-N 1 1 430.552 4.177 40 0 IIABMO O=C(N[C@@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000019292871 556732501 /nfs/dbraw/zinc/73/25/01/556732501.db2.gz XNNFHHKWGABGCX-MRXNPFEDSA-N 1 1 438.355 4.270 40 0 IIABMO O=C(C=Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019368493 556746658 /nfs/dbraw/zinc/74/66/58/556746658.db2.gz LGXBWKCUEZNPJY-YAOQVBECSA-N 1 1 432.568 4.250 40 0 IIABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400626 556753272 /nfs/dbraw/zinc/75/32/72/556753272.db2.gz LEHFGDXBKSYYEZ-YADARESESA-N 1 1 443.576 4.470 40 0 IIABMO COc1cccc(OC)c1C[NH2+][C@@H](c1cc(=O)n2nc(-c3cccnc3)cc2[nH]1)C(C)C ZINC000019445513 556755871 /nfs/dbraw/zinc/75/58/71/556755871.db2.gz ZLNDNRKAJRNFGS-XMMPIXPASA-N 1 1 433.512 4.001 40 0 IIABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000019448957 556759004 /nfs/dbraw/zinc/75/90/04/556759004.db2.gz UNHQNBJLJUQOEC-VWLOTQADSA-N 1 1 449.624 4.137 40 0 IIABMO CCc1onc(C)c1C(=O)N1C[C@H](c2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]21 ZINC000019521140 556777898 /nfs/dbraw/zinc/77/78/98/556777898.db2.gz IKPSALFPWYYXQW-DNVJHFABSA-N 1 1 437.584 4.176 40 0 IIABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)c2sccn12 ZINC000019523098 556780359 /nfs/dbraw/zinc/78/03/59/556780359.db2.gz XPSGXEXYLXJWNG-INIZCTEOSA-N 1 1 448.552 4.217 40 0 IIABMO CCc1ncc(C[N@H+]2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523313 556780440 /nfs/dbraw/zinc/78/04/40/556780440.db2.gz KCQCSLJCIFBUDQ-HHHXNRCGSA-N 1 1 428.580 4.229 40 0 IIABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)c2sccn12 ZINC000019523102 556780545 /nfs/dbraw/zinc/78/05/45/556780545.db2.gz JZZGEWOSOLKOMC-KRWDZBQOSA-N 1 1 434.569 4.455 40 0 IIABMO CCc1ncc(C[N@H+]2CC[C@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523323 556780849 /nfs/dbraw/zinc/78/08/49/556780849.db2.gz PWPOLOHODYYOAK-RUZDIDTESA-N 1 1 434.609 4.291 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 ZINC000019524912 556782312 /nfs/dbraw/zinc/78/23/12/556782312.db2.gz KGPDSWREQOSGAA-GOSISDBHSA-N 1 1 425.606 4.325 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 ZINC000019524913 556782373 /nfs/dbraw/zinc/78/23/73/556782373.db2.gz KGPDSWREQOSGAA-SFHVURJKSA-N 1 1 425.606 4.325 40 0 IIABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc12 ZINC000001373153 556785553 /nfs/dbraw/zinc/78/55/53/556785553.db2.gz OVXGREVOYVCIQQ-UHFFFAOYSA-N 1 1 446.555 4.108 40 0 IIABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)cc12 ZINC000001373153 556785556 /nfs/dbraw/zinc/78/55/56/556785556.db2.gz OVXGREVOYVCIQQ-UHFFFAOYSA-N 1 1 446.555 4.108 40 0 IIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374317 556792909 /nfs/dbraw/zinc/79/29/09/556792909.db2.gz JITGRVWWRXJBNO-QHCPKHFHSA-N 1 1 446.555 4.360 40 0 IIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374317 556792911 /nfs/dbraw/zinc/79/29/11/556792911.db2.gz JITGRVWWRXJBNO-QHCPKHFHSA-N 1 1 446.555 4.360 40 0 IIABMO CCOc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)cc1 ZINC000019533338 556793333 /nfs/dbraw/zinc/79/33/33/556793333.db2.gz PKSGGBVAELICNF-QFIPXVFZSA-N 1 1 427.545 4.085 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019533798 556793656 /nfs/dbraw/zinc/79/36/56/556793656.db2.gz OFJQSVCJCGQEHM-OAQYLSRUSA-N 1 1 447.583 4.392 40 0 IIABMO COc1ccc([C@H]2CN(C(=O)C3CCC3)[C@@H]3CC[N@@H+](Cc4cccc(OC)c4)C[C@@H]32)cc1 ZINC000019557730 556799755 /nfs/dbraw/zinc/79/97/55/556799755.db2.gz XUODFCWFLWUUSP-TWJOJJKGSA-N 1 1 434.580 4.320 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)c1 ZINC000019565432 556806146 /nfs/dbraw/zinc/80/61/46/556806146.db2.gz DXWGVFBKKWAWRE-HJOGWXRNSA-N 1 1 433.577 4.282 40 0 IIABMO Cc1cc(C(=O)N2CCC(O)(C[N@H+]3CCCC[C@H]3c3cccnc3)CC2)c2ccccc2n1 ZINC000019569427 556809361 /nfs/dbraw/zinc/80/93/61/556809361.db2.gz CDYSUKCWMVLCMC-VWLOTQADSA-N 1 1 444.579 4.133 40 0 IIABMO Cc1cc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(-c4cccs4)ccc2=O)C3)cs1 ZINC000019572044 556812352 /nfs/dbraw/zinc/81/23/52/556812352.db2.gz IXEPNGLWRNODOF-LIMIJEPZSA-N 1 1 441.622 4.290 40 0 IIABMO CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@H+]1CC ZINC000004217055 556821398 /nfs/dbraw/zinc/82/13/98/556821398.db2.gz RHYWVDWRGBLPLS-OAQYLSRUSA-N 1 1 428.646 4.106 40 0 IIABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584424 556821996 /nfs/dbraw/zinc/82/19/96/556821996.db2.gz XFVHVIMEGPBQQE-NRFANRHFSA-N 1 1 447.583 4.139 40 0 IIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019591291 556826410 /nfs/dbraw/zinc/82/64/10/556826410.db2.gz ZXNDDWZUJXCHDJ-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593228 556829510 /nfs/dbraw/zinc/82/95/10/556829510.db2.gz IHUNIWWLXUFKNK-VGOFRKELSA-N 1 1 436.383 4.494 40 0 IIABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593228 556829513 /nfs/dbraw/zinc/82/95/13/556829513.db2.gz IHUNIWWLXUFKNK-VGOFRKELSA-N 1 1 436.383 4.494 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cc1 ZINC000019694662 556850861 /nfs/dbraw/zinc/85/08/61/556850861.db2.gz KLKSFTWHMXOFBG-FQEVSTJZSA-N 1 1 445.567 4.036 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cc1 ZINC000019694662 556850864 /nfs/dbraw/zinc/85/08/64/556850864.db2.gz KLKSFTWHMXOFBG-FQEVSTJZSA-N 1 1 445.567 4.036 40 0 IIABMO Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)n1 ZINC000019756639 556900489 /nfs/dbraw/zinc/90/04/89/556900489.db2.gz YVRGHNBTSXNRCB-UHFFFAOYSA-N 1 1 447.967 4.376 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000072330468 556905911 /nfs/dbraw/zinc/90/59/11/556905911.db2.gz BUOPIQIXEGJGMJ-HOFKKMOUSA-N 1 1 429.564 4.402 40 0 IIABMO CCc1ncc(C[N@@H+]2CC[C@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)cn1 ZINC000072351970 556922867 /nfs/dbraw/zinc/92/28/67/556922867.db2.gz OFDZOHVUGCVZSF-KRWDZBQOSA-N 1 1 436.947 4.033 40 0 IIABMO CCc1ncc(C[N@H+]2CC[C@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)cn1 ZINC000072351970 556922871 /nfs/dbraw/zinc/92/28/71/556922871.db2.gz OFDZOHVUGCVZSF-KRWDZBQOSA-N 1 1 436.947 4.033 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)n1 ZINC000072353273 556926299 /nfs/dbraw/zinc/92/62/99/556926299.db2.gz MSBQCORBBOECAM-SFHVURJKSA-N 1 1 434.519 4.189 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)n1 ZINC000072353273 556926301 /nfs/dbraw/zinc/92/63/01/556926301.db2.gz MSBQCORBBOECAM-SFHVURJKSA-N 1 1 434.519 4.189 40 0 IIABMO CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1cccnc1 ZINC000072380066 556957303 /nfs/dbraw/zinc/95/73/03/556957303.db2.gz YBCONFGIYLFRGP-HXUWFJFHSA-N 1 1 437.609 4.348 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000072388998 556959057 /nfs/dbraw/zinc/95/90/57/556959057.db2.gz BOJYNDITWNBKRV-IDISGSTGSA-N 1 1 428.580 4.318 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000072398673 556970771 /nfs/dbraw/zinc/97/07/71/556970771.db2.gz CAXKFEMWOMWQSU-DVECYGJZSA-N 1 1 434.515 4.008 40 0 IIABMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005196732 557077139 /nfs/dbraw/zinc/07/71/39/557077139.db2.gz DTRPRDLTKSXMEC-OWJWWREXSA-N 1 1 427.545 4.192 40 0 IIABMO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096081042 557168477 /nfs/dbraw/zinc/16/84/77/557168477.db2.gz GLPYKWJDLFIUBY-WMPKNSHKSA-N 1 1 446.616 4.212 40 0 IIABMO COc1cc([C@@H]2c3cc4c(cc3O[C@@H]([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000100695861 557270141 /nfs/dbraw/zinc/27/01/41/557270141.db2.gz LRLXUQCQYHLPOQ-FUEHQLCJSA-N 1 1 427.497 4.023 40 0 IIABMO O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222600148 557359075 /nfs/dbraw/zinc/35/90/75/557359075.db2.gz DAXYBFSABZXFST-MRXNPFEDSA-N 1 1 428.895 4.058 40 0 IIABMO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@H+]2Cc2ccc3nccnc3c2)c1 ZINC000072377124 557389405 /nfs/dbraw/zinc/38/94/05/557389405.db2.gz JRCCMKWXKDJPSW-HSZRJFAPSA-N 1 1 426.524 4.405 40 0 IIABMO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)s1 ZINC000222926739 557404169 /nfs/dbraw/zinc/40/41/69/557404169.db2.gz QLEHXKREXJBXNG-UHFFFAOYSA-N 1 1 441.420 4.263 40 0 IIABMO CCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000017096097 557487963 /nfs/dbraw/zinc/48/79/63/557487963.db2.gz NLGODEKUJIGHQZ-UHFFFAOYSA-N 1 1 428.577 4.151 40 0 IIABMO O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224584879 557627363 /nfs/dbraw/zinc/62/73/63/557627363.db2.gz SWTZIBZYRAFJGA-UHFFFAOYSA-N 1 1 439.408 4.375 40 0 IIABMO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225007155 557676824 /nfs/dbraw/zinc/67/68/24/557676824.db2.gz BGAVAAFTAZXINE-UHFFFAOYSA-N 1 1 431.939 4.166 40 0 IIABMO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)ccc21 ZINC000225072985 557685388 /nfs/dbraw/zinc/68/53/88/557685388.db2.gz OMDWLFKBYUVUQG-UHFFFAOYSA-N 1 1 433.936 4.243 40 0 IIABMO CCOC(=O)c1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)cc1Cl ZINC000225451073 557724414 /nfs/dbraw/zinc/72/44/14/557724414.db2.gz JUBCOFSAYWAIQK-UHFFFAOYSA-N 1 1 428.945 4.497 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270002 568616686 /nfs/dbraw/zinc/61/66/86/568616686.db2.gz AMFRDXIPLMHDHQ-AREMUKBSSA-N 1 1 435.568 4.104 40 0 IIABMO COCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585271191 568617807 /nfs/dbraw/zinc/61/78/07/568617807.db2.gz TWVNXUOQWDABFF-DEOSSOPVSA-N 1 1 449.975 4.088 40 0 IIABMO CCOCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585274667 568618449 /nfs/dbraw/zinc/61/84/49/568618449.db2.gz ZHDXZJTWQYDWIV-DEOSSOPVSA-N 1 1 433.976 4.470 40 0 IIABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585288045 568619269 /nfs/dbraw/zinc/61/92/69/568619269.db2.gz UXLNYAZRNVSQDB-DNRQZRRGSA-N 1 1 434.596 4.013 40 0 IIABMO COc1ccc(C[N@H+](C)CC(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257202616 568666513 /nfs/dbraw/zinc/66/65/13/568666513.db2.gz AMQDBJZXQOKJKC-UHFFFAOYSA-N 1 1 445.567 4.067 40 0 IIABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257202616 568666514 /nfs/dbraw/zinc/66/65/14/568666514.db2.gz AMQDBJZXQOKJKC-UHFFFAOYSA-N 1 1 445.567 4.067 40 0 IIABMO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000257216235 568672648 /nfs/dbraw/zinc/67/26/48/568672648.db2.gz CTQSFLYKSWSYGK-HXUWFJFHSA-N 1 1 431.540 4.072 40 0 IIABMO COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cc[nH+]c5C)cc4)OCC[C@]13C2 ZINC000257256328 568691574 /nfs/dbraw/zinc/69/15/74/568691574.db2.gz KKZMBUKOMFMCES-NMHPENHOSA-N 1 1 437.584 4.216 40 0 IIABMO Cn1nc([C@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(Cl)c1 ZINC000257266898 568696027 /nfs/dbraw/zinc/69/60/27/568696027.db2.gz MFBMGTJOGRQTMW-XMMPIXPASA-N 1 1 425.960 4.311 40 0 IIABMO Cn1nc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(Cl)c1 ZINC000257266898 568696030 /nfs/dbraw/zinc/69/60/30/568696030.db2.gz MFBMGTJOGRQTMW-XMMPIXPASA-N 1 1 425.960 4.311 40 0 IIABMO Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4n[nH]c5c4CCCCC5)CCO3)c2)n1 ZINC000257305911 568713865 /nfs/dbraw/zinc/71/38/65/568713865.db2.gz SSAYZIURHGNANX-QFIPXVFZSA-N 1 1 446.555 4.043 40 0 IIABMO Cc1nc(N(C)C)cc([C@@]2(C)CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257317271 568718996 /nfs/dbraw/zinc/71/89/96/568718996.db2.gz VJBZBJSQRGPLPF-SANMLTNESA-N 1 1 431.584 4.379 40 0 IIABMO Cc1cc(Nc2ccccn2)cc(C2CC[NH+](Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)n1 ZINC000257336890 568727442 /nfs/dbraw/zinc/72/74/42/568727442.db2.gz YQMAOODTGUIVHR-UHFFFAOYSA-N 1 1 442.567 4.099 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@@H]23)cc1 ZINC000306124296 568763233 /nfs/dbraw/zinc/76/32/33/568763233.db2.gz BMEVGTMXBBBJPZ-IAPPQJPRSA-N 1 1 441.575 4.425 40 0 IIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3c2)c1OC ZINC000306133047 568767578 /nfs/dbraw/zinc/76/75/78/568767578.db2.gz MACMWYSPAJSYLV-HXUWFJFHSA-N 1 1 429.524 4.188 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133289 568767719 /nfs/dbraw/zinc/76/77/19/568767719.db2.gz MHQZJPCQMZSRLV-IXCJQBJRSA-N 1 1 441.575 4.151 40 0 IIABMO O=C1N(Cc2cccnc2)CC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306133074 568767736 /nfs/dbraw/zinc/76/77/36/568767736.db2.gz MAWXXDZJNFFLJW-ZCYQVOJMSA-N 1 1 432.955 4.148 40 0 IIABMO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4ccc(C)s4)CCN3C)nnn2c1 ZINC000306133997 568768168 /nfs/dbraw/zinc/76/81/68/568768168.db2.gz NBIZKLZRWYQCCY-QFIPXVFZSA-N 1 1 433.581 4.264 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329067657 568810930 /nfs/dbraw/zinc/81/09/30/568810930.db2.gz YJXWNIQRJPYLGU-GOSISDBHSA-N 1 1 431.378 4.108 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329067657 568810932 /nfs/dbraw/zinc/81/09/32/568810932.db2.gz YJXWNIQRJPYLGU-GOSISDBHSA-N 1 1 431.378 4.108 40 0 IIABMO COCCn1ccc2c1cccc2C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199207 568921882 /nfs/dbraw/zinc/92/18/82/568921882.db2.gz WPYRGFYFQPALLS-MIUUGJTFSA-N 1 1 433.596 4.323 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000248156528 569207443 /nfs/dbraw/zinc/20/74/43/569207443.db2.gz VXNUDOAHEVKNRV-KPLVRAHFSA-N 1 1 443.538 4.144 40 0 IIABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000019086184 569226108 /nfs/dbraw/zinc/22/61/08/569226108.db2.gz NDQNERDUFDHKSZ-VBOOUTDYSA-N 1 1 447.623 4.089 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3sccc3C)C2)[N@H+](C)C1 ZINC000019238624 569226409 /nfs/dbraw/zinc/22/64/09/569226409.db2.gz QFKOPQAROXMRJR-SBHAEUEKSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000019238624 569226410 /nfs/dbraw/zinc/22/64/10/569226410.db2.gz QFKOPQAROXMRJR-SBHAEUEKSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000019587522 569227311 /nfs/dbraw/zinc/22/73/11/569227311.db2.gz UVHMCUBZXAOWPH-BOCKYXSRSA-N 1 1 443.538 4.144 40 0 IIABMO CC1CC[NH+](CCC(=O)N2CC[C@H](c3ccc4c(n[nH]c4NCc4ccccc4)n3)C2)CC1 ZINC000019705121 569234020 /nfs/dbraw/zinc/23/40/20/569234020.db2.gz ONXRSAMWVTWVKE-NRFANRHFSA-N 1 1 446.599 4.008 40 0 IIABMO COc1ccc(OCc2sc([C@@]3(O)CCC[N@@H+](CC4=CCCOC4)CC3)nc2C)cc1 ZINC000019705372 569234111 /nfs/dbraw/zinc/23/41/11/569234111.db2.gz JWYSFIMQURNGGB-XMMPIXPASA-N 1 1 444.597 4.059 40 0 IIABMO Cc1nc2sccn2c1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713867 569235725 /nfs/dbraw/zinc/23/57/25/569235725.db2.gz WPRMEGGLGLBWDL-UXHICEINSA-N 1 1 426.561 4.389 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765502 569238835 /nfs/dbraw/zinc/23/88/35/569238835.db2.gz DJQDICGVYSVKNG-FQEVSTJZSA-N 1 1 436.506 4.373 40 0 IIABMO O=C(C[NH+]1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 ZINC000019695963 569326801 /nfs/dbraw/zinc/32/68/01/569326801.db2.gz TVFYMHIPZIJWKC-XMMPIXPASA-N 1 1 435.543 4.081 40 0 IIABMO COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000019703719 569327245 /nfs/dbraw/zinc/32/72/45/569327245.db2.gz SUFDGHHWJYEHCO-VWLOTQADSA-N 1 1 449.595 4.175 40 0 IIABMO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)c2ccccc21 ZINC000225480543 291384980 /nfs/dbraw/zinc/38/49/80/291384980.db2.gz REARKJIAYVYYNV-OFVILXPXSA-N 1 1 438.531 4.142 40 0 biogenic,in-vitro IIABMO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)c2ccccc21 ZINC000225480543 291384982 /nfs/dbraw/zinc/38/49/82/291384982.db2.gz REARKJIAYVYYNV-OFVILXPXSA-N 1 1 438.531 4.142 40 0 biogenic,in-vitro IIABMO COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(C3CCCC3)nn2C)cc1 ZINC000008635912 291383657 /nfs/dbraw/zinc/38/36/57/291383657.db2.gz IQNXPXKOLWRBLF-DWLFOUALSA-N 1 1 437.588 4.086 40 0 biogenic,in-vitro IIABMO CC(C)(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc21 ZINC000019081436 518567594 /nfs/dbraw/zinc/56/75/94/518567594.db2.gz BFUMKXZLLGVYRN-XMMPIXPASA-N 1 1 439.575 4.007 40 0 IIABMO COc1cc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)ccc1O ZINC000012188334 522378476 /nfs/dbraw/zinc/37/84/76/522378476.db2.gz SLYAVVIIMDZOLZ-MJGOQNOKSA-N 1 1 434.458 4.156 40 0 IIABMO COc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000012712270 522723290 /nfs/dbraw/zinc/72/32/90/522723290.db2.gz GQWBPZMJINFMCG-UHFFFAOYSA-N 1 1 431.920 4.034 40 0 IIABMO COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2CNc2nc(C(C)C)cc(C(F)(F)F)n2)cc1OC ZINC000012235251 525422936 /nfs/dbraw/zinc/42/29/36/525422936.db2.gz VODFEKKUCYEHNM-JKSUJKDBSA-N 1 1 438.494 4.393 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)c1 ZINC000012088064 527450651 /nfs/dbraw/zinc/45/06/51/527450651.db2.gz PKBFLQGXDLLMEH-QFIPXVFZSA-N 1 1 425.536 4.390 40 0 IIABMO COc1ccc([C@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@H+]32)cc1O ZINC000003847181 555948463 /nfs/dbraw/zinc/94/84/63/555948463.db2.gz TYTIBYQBVJUCGJ-CEMLEFRQSA-N 1 1 425.525 4.340 40 0 IIABMO COc1ccc([C@@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)c(OC)c1OC ZINC000005765721 556065109 /nfs/dbraw/zinc/06/51/09/556065109.db2.gz PZQFCJYFEVRMMG-IWIQFXGASA-N 1 1 441.524 4.414 40 0 IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000002401950 556090292 /nfs/dbraw/zinc/09/02/92/556090292.db2.gz WTPLCNNGJKQFFS-QGUKFAFCSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000002401950 556090296 /nfs/dbraw/zinc/09/02/96/556090296.db2.gz WTPLCNNGJKQFFS-QGUKFAFCSA-N 1 1 438.568 4.319 40 0 IIABMO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882426 556485547 /nfs/dbraw/zinc/48/55/47/556485547.db2.gz JHFRPIDOZSWEBZ-UHFFFAOYSA-N 1 1 439.408 4.375 40 0 IIABMO O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945131 556516843 /nfs/dbraw/zinc/51/68/43/556516843.db2.gz ZIXFMLLIKRHRRF-IBGZPJMESA-N 1 1 449.492 4.405 40 0 IIABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038834484 556622462 /nfs/dbraw/zinc/62/24/62/556622462.db2.gz NMXULJBDZUCVRC-UHFFFAOYSA-N 1 1 445.357 4.477 40 0 IIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2Cl)CC1 ZINC000016681593 556624177 /nfs/dbraw/zinc/62/41/77/556624177.db2.gz YEWSAWXYWLOWQA-UHFFFAOYSA-N 1 1 437.396 4.262 40 0 IIABMO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038854688 556625435 /nfs/dbraw/zinc/62/54/35/556625435.db2.gz QREUDKFTJOTBSO-LJQANCHMSA-N 1 1 425.960 4.427 40 0 IIABMO COC(=O)c1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000038857940 556626109 /nfs/dbraw/zinc/62/61/09/556626109.db2.gz KQWBYMKYOSBUQZ-INIZCTEOSA-N 1 1 430.545 4.403 40 0 IIABMO COc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000044851695 556670689 /nfs/dbraw/zinc/67/06/89/556670689.db2.gz FLNGXBGKBBGZHZ-FQEVSTJZSA-N 1 1 430.976 4.318 40 0 IIABMO O=C(CCC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014905 556692126 /nfs/dbraw/zinc/69/21/26/556692126.db2.gz TWKJESVXRJCPLH-LJQANCHMSA-N 1 1 426.605 4.159 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081817 556696392 /nfs/dbraw/zinc/69/63/92/556696392.db2.gz VJDMTAOEFWWAEZ-WZONZLPQSA-N 1 1 425.573 4.214 40 0 IIABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(-n3cccn3)cc2)cc1 ZINC000257324324 556704861 /nfs/dbraw/zinc/70/48/61/556704861.db2.gz WODQLARZEGQBOA-FTJBHMTQSA-N 1 1 444.579 4.427 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230819 556709009 /nfs/dbraw/zinc/70/90/09/556709009.db2.gz GEBMKIORUWCPAU-URXFXBBRSA-N 1 1 446.494 4.067 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230819 556709012 /nfs/dbraw/zinc/70/90/12/556709012.db2.gz GEBMKIORUWCPAU-URXFXBBRSA-N 1 1 446.494 4.067 40 0 IIABMO Cc1cnn(CCCOc2ccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)c1 ZINC000257278751 556714456 /nfs/dbraw/zinc/71/44/56/556714456.db2.gz ODMZRXGOMBKWKQ-AREMUKBSSA-N 1 1 435.568 4.067 40 0 IIABMO COc1cccc(-c2cccc(CC3(C(=O)NC[C@H]4CCC[N@@H+](C)C4)CCOCC3)c2)c1 ZINC000257311753 556718570 /nfs/dbraw/zinc/71/85/70/556718570.db2.gz UKVTYUBLAZYSCK-JOCHJYFZSA-N 1 1 436.596 4.160 40 0 IIABMO Cc1cccc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)n1 ZINC000019236198 556720864 /nfs/dbraw/zinc/72/08/64/556720864.db2.gz PUEWOZPLLHODST-MHZLTWQESA-N 1 1 428.580 4.365 40 0 IIABMO O[C@@]1(c2ccccn2)CC[C@H]2C[N@@H+](Cc3ccccc3OCc3ccc4c(c3)OCO4)C[C@H]21 ZINC000019349440 556744480 /nfs/dbraw/zinc/74/44/80/556744480.db2.gz BSLHPSJYCSZBCP-ZIHSNCGMSA-N 1 1 444.531 4.119 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502849 556773901 /nfs/dbraw/zinc/77/39/01/556773901.db2.gz CSISCGGNXVMCNJ-VWLOTQADSA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502849 556773902 /nfs/dbraw/zinc/77/39/02/556773902.db2.gz CSISCGGNXVMCNJ-VWLOTQADSA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503285 556775044 /nfs/dbraw/zinc/77/50/44/556775044.db2.gz GMOPTJGIAQWIPY-XMMPIXPASA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503285 556775046 /nfs/dbraw/zinc/77/50/46/556775046.db2.gz GMOPTJGIAQWIPY-XMMPIXPASA-N 1 1 443.595 4.014 40 0 IIABMO Cc1c(C[N@@H+]2CCC[C@](Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C ZINC000019553611 556797306 /nfs/dbraw/zinc/79/73/06/556797306.db2.gz BCLDOEDWNZBNQU-HHHXNRCGSA-N 1 1 448.586 4.448 40 0 IIABMO Cc1noc2nc([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4C(C)C)C3)cc(C(F)(F)F)c12 ZINC000019563987 556804580 /nfs/dbraw/zinc/80/45/80/556804580.db2.gz KRKJXCWLPIXBOZ-CQSZACIVSA-N 1 1 435.450 4.276 40 0 IIABMO Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)cc2c1C ZINC000019576803 556815185 /nfs/dbraw/zinc/81/51/85/556815185.db2.gz YHTBWGKKGTVZDA-QFIPXVFZSA-N 1 1 433.556 4.024 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019591274 556826497 /nfs/dbraw/zinc/82/64/97/556826497.db2.gz NMFNQCHYYPBBNJ-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+]2Cc2ccccc2Cl)n1 ZINC000019690447 556846380 /nfs/dbraw/zinc/84/63/80/556846380.db2.gz XWTQNDQEODHYAF-NRFANRHFSA-N 1 1 435.959 4.299 40 0 IIABMO Cc1nc([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)nc2c1CCCN2CC1CC1 ZINC000019706242 556864403 /nfs/dbraw/zinc/86/44/03/556864403.db2.gz APOWCFNHYUHZGM-OAQYLSRUSA-N 1 1 436.604 4.021 40 0 IIABMO CC(C)NC(=O)c1cc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc2ccccc21 ZINC000019759723 556903617 /nfs/dbraw/zinc/90/36/17/556903617.db2.gz AJTHTGDFEDLJCX-SANMLTNESA-N 1 1 440.547 4.495 40 0 IIABMO CC(C)NC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc2ccccc21 ZINC000019759723 556903620 /nfs/dbraw/zinc/90/36/20/556903620.db2.gz AJTHTGDFEDLJCX-SANMLTNESA-N 1 1 440.547 4.495 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341426 556913612 /nfs/dbraw/zinc/91/36/12/556913612.db2.gz JWXNIWDAPSUJCI-AVRDEDQJSA-N 1 1 443.613 4.420 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000072346225 556917739 /nfs/dbraw/zinc/91/77/39/556917739.db2.gz WVYCPXFQOBEZIU-QGZVFWFLSA-N 1 1 442.489 4.477 40 0 IIABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000072352378 556924251 /nfs/dbraw/zinc/92/42/51/556924251.db2.gz RPAMINGOSOGQAM-GOSISDBHSA-N 1 1 433.577 4.030 40 0 IIABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000072352378 556924252 /nfs/dbraw/zinc/92/42/52/556924252.db2.gz RPAMINGOSOGQAM-GOSISDBHSA-N 1 1 433.577 4.030 40 0 IIABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc(OC)c1 ZINC000072352783 556925045 /nfs/dbraw/zinc/92/50/45/556925045.db2.gz ZVBYNJPTZRAAMM-GOSISDBHSA-N 1 1 427.545 4.134 40 0 IIABMO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000072372740 556944251 /nfs/dbraw/zinc/94/42/51/556944251.db2.gz ASPMARZCUGNVJU-IBGZPJMESA-N 1 1 438.507 4.470 40 0 IIABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000072373145 556945419 /nfs/dbraw/zinc/94/54/19/556945419.db2.gz NDQNERDUFDHKSZ-INNMJMHTSA-N 1 1 447.623 4.089 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398577 556969988 /nfs/dbraw/zinc/96/99/88/556969988.db2.gz VJDMTAOEFWWAEZ-MBSDFSHPSA-N 1 1 425.573 4.214 40 0 IIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)C1 ZINC000020047117 556973666 /nfs/dbraw/zinc/97/36/66/556973666.db2.gz UBPANXVIGFKYCW-FQEVSTJZSA-N 1 1 442.563 4.496 40 0 IIABMO C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104156 557036844 /nfs/dbraw/zinc/03/68/44/557036844.db2.gz JODOVSBUUKNLRL-KBMIEXCESA-N 1 1 448.592 4.017 40 0 IIABMO Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)C[N@@H+](C(C)C)Cc1c(-c3ccccc3)ncn12 ZINC000585106712 557040960 /nfs/dbraw/zinc/04/09/60/557040960.db2.gz GKAHYZXKQDLOCF-VWLOTQADSA-N 1 1 433.556 4.010 40 0 IIABMO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](Cc3ccsc3)C2)N1Cc1ccc(F)cc1 ZINC000096143161 557169854 /nfs/dbraw/zinc/16/98/54/557169854.db2.gz IMSPCZYSQISDQE-JOCHJYFZSA-N 1 1 428.554 4.193 40 0 IIABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](Cc3ccsc3)C2)N1Cc1ccc(F)cc1 ZINC000096143161 557169856 /nfs/dbraw/zinc/16/98/56/557169856.db2.gz IMSPCZYSQISDQE-JOCHJYFZSA-N 1 1 428.554 4.193 40 0 IIABMO COc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCC[N@@H+](C)CC5)cc43)cs2)cc1 ZINC000096154448 557178236 /nfs/dbraw/zinc/17/82/36/557178236.db2.gz RVWGVSFUYVTIAJ-UHFFFAOYSA-N 1 1 448.548 4.405 40 0 IIABMO CN(C)c1nc(N2CCC3(CC2)CN(C(=O)CC2CCCC2)Cc2ccccc23)cc[nH+]1 ZINC000096242649 557186660 /nfs/dbraw/zinc/18/66/60/557186660.db2.gz YMIONRXXACQBNM-UHFFFAOYSA-N 1 1 433.600 4.003 40 0 IIABMO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219241870 557232466 /nfs/dbraw/zinc/23/24/66/557232466.db2.gz AXWXFYQXADHXFA-SFHVURJKSA-N 1 1 434.540 4.249 40 0 IIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501112 557324539 /nfs/dbraw/zinc/32/45/39/557324539.db2.gz JPIQVNCOFSTADM-JOCHJYFZSA-N 1 1 446.555 4.360 40 0 IIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501112 557324542 /nfs/dbraw/zinc/32/45/42/557324542.db2.gz JPIQVNCOFSTADM-JOCHJYFZSA-N 1 1 446.555 4.360 40 0 IIABMO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(=O)N(C(C)C)C(C)C)CC3)c(=O)c2c1C ZINC000013566338 557344216 /nfs/dbraw/zinc/34/42/16/557344216.db2.gz MFJMIHURAQVOBP-UHFFFAOYSA-N 1 1 444.645 4.235 40 0 IIABMO COCCn1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000013563239 557353484 /nfs/dbraw/zinc/35/34/84/557353484.db2.gz DXSSHAHCKAHNAP-LJQANCHMSA-N 1 1 437.510 4.474 40 0 IIABMO COCCn1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000013563239 557353487 /nfs/dbraw/zinc/35/34/87/557353487.db2.gz DXSSHAHCKAHNAP-LJQANCHMSA-N 1 1 437.510 4.474 40 0 IIABMO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223044228 557420518 /nfs/dbraw/zinc/42/05/18/557420518.db2.gz KQXLMROLSGUJLZ-OAQYLSRUSA-N 1 1 426.988 4.417 40 0 IIABMO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223044281 557420565 /nfs/dbraw/zinc/42/05/65/557420565.db2.gz KQXLMROLSGUJLZ-NRFANRHFSA-N 1 1 426.988 4.417 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000019587527 557501200 /nfs/dbraw/zinc/50/12/00/557501200.db2.gz UVHMCUBZXAOWPH-LYHRCORUSA-N 1 1 443.538 4.144 40 0 IIABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000224547077 557620475 /nfs/dbraw/zinc/62/04/75/557620475.db2.gz HSSJEWKHQNTIAK-UHFFFAOYSA-N 1 1 431.374 4.165 40 0 IIABMO C[C@@H]1Cc2cccc3c2n1cc(C(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)c3=O ZINC000225862488 557786428 /nfs/dbraw/zinc/78/64/28/557786428.db2.gz KMVRAZDAMLNDEM-CQSZACIVSA-N 1 1 432.911 4.162 40 0 IIABMO Cc1nccn1CCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270932 568617744 /nfs/dbraw/zinc/61/77/44/568617744.db2.gz DRUOEOMSRCZPHD-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO Cc1cc(N(C)C)nc([C@@]2(C)CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257208176 568668890 /nfs/dbraw/zinc/66/88/90/568668890.db2.gz BLAXTOQFWJIIJC-SANMLTNESA-N 1 1 431.584 4.379 40 0 IIABMO Cc1cccn2cc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[N@H+]4C)nc12 ZINC000257222297 568675407 /nfs/dbraw/zinc/67/54/07/568675407.db2.gz DSTGIHIBOXJIIQ-PFGYYQCGSA-N 1 1 428.580 4.341 40 0 IIABMO Cc1ccccc1-c1noc([C@H]2CC[N@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257225515 568676617 /nfs/dbraw/zinc/67/66/17/568676617.db2.gz FGNZEIORJWOGMR-HNNXBMFYSA-N 1 1 430.430 4.492 40 0 IIABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257225515 568676620 /nfs/dbraw/zinc/67/66/20/568676620.db2.gz FGNZEIORJWOGMR-HNNXBMFYSA-N 1 1 430.430 4.492 40 0 IIABMO Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(Nc5cccc(C)n5)cc(C)[nH+]4)C3)c2c1 ZINC000257237639 568682834 /nfs/dbraw/zinc/68/28/34/568682834.db2.gz HHKLHIQVCRWLLJ-JOCHJYFZSA-N 1 1 442.523 4.235 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)cc1 ZINC000257247978 568687569 /nfs/dbraw/zinc/68/75/69/568687569.db2.gz JBMGRWUCOVUUHZ-NRFANRHFSA-N 1 1 436.600 4.083 40 0 IIABMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)c4cscn4)C[C@@H]32)c1 ZINC000257256360 568691588 /nfs/dbraw/zinc/69/15/88/568691588.db2.gz KLCCTPVOPYHTFX-CQOQZXRMSA-N 1 1 433.577 4.282 40 0 IIABMO Cc1cccc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)c1 ZINC000257265602 568695557 /nfs/dbraw/zinc/69/55/57/568695557.db2.gz LZJNNNBGLHEYCY-DEOSSOPVSA-N 1 1 427.495 4.202 40 0 IIABMO Cc1cccc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)c1 ZINC000257265602 568695559 /nfs/dbraw/zinc/69/55/59/568695559.db2.gz LZJNNNBGLHEYCY-DEOSSOPVSA-N 1 1 427.495 4.202 40 0 IIABMO Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)CC2)n1 ZINC000257264981 568695669 /nfs/dbraw/zinc/69/56/69/568695669.db2.gz LWUOZLSUYYLQRN-UHFFFAOYSA-N 1 1 448.615 4.497 40 0 IIABMO Cc1cccnc1Nc1cncc(C2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000257298522 568710602 /nfs/dbraw/zinc/71/06/02/568710602.db2.gz RMCCFBMKMYUPSZ-UHFFFAOYSA-N 1 1 442.567 4.082 40 0 IIABMO Cc1nc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 ZINC000257316956 568718459 /nfs/dbraw/zinc/71/84/59/568718459.db2.gz VHRZTHUEFRZXAW-HSZRJFAPSA-N 1 1 446.570 4.123 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000257325764 568722874 /nfs/dbraw/zinc/72/28/74/568722874.db2.gz WUHNSHPAJJLSCV-BVAGGSTKSA-N 1 1 431.536 4.083 40 0 IIABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257329663 568723999 /nfs/dbraw/zinc/72/39/99/568723999.db2.gz XKXLWTXNFBRYJO-QFIPXVFZSA-N 1 1 447.562 4.076 40 0 IIABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257329663 568724003 /nfs/dbraw/zinc/72/40/03/568724003.db2.gz XKXLWTXNFBRYJO-QFIPXVFZSA-N 1 1 447.562 4.076 40 0 IIABMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329812 568724532 /nfs/dbraw/zinc/72/45/32/568724532.db2.gz XLPVYXJHZACUET-NVQXNPDNSA-N 1 1 440.559 4.194 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]2c1cccnc1 ZINC000306127558 568764622 /nfs/dbraw/zinc/76/46/22/568764622.db2.gz GBWDKXHDCFSKEL-RSXGOPAZSA-N 1 1 447.966 4.132 40 0 IIABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4OC)C3)nn2c1 ZINC000306134376 568768471 /nfs/dbraw/zinc/76/84/71/568768471.db2.gz NLJULFOSRDFPQO-GOSISDBHSA-N 1 1 447.514 4.327 40 0 IIABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cc(C)cc(C)c1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306134862 568768818 /nfs/dbraw/zinc/76/88/18/568768818.db2.gz NZZXWLBDMWQCAC-UHFFFAOYSA-N 1 1 437.632 4.420 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306141735 568772423 /nfs/dbraw/zinc/77/24/23/568772423.db2.gz WEXXIWRMGLSNOW-ZJSXRUAMSA-N 1 1 426.992 4.346 40 0 IIABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328984920 568808669 /nfs/dbraw/zinc/80/86/69/568808669.db2.gz HQQIZVGPCVDBRC-SFHVURJKSA-N 1 1 438.494 4.490 40 0 IIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000247973774 569206656 /nfs/dbraw/zinc/20/66/56/569206656.db2.gz BLAIEIVAYDMUCD-FCEWJHQRSA-N 1 1 435.494 4.317 40 0 IIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000247973774 569206657 /nfs/dbraw/zinc/20/66/57/569206657.db2.gz BLAIEIVAYDMUCD-FCEWJHQRSA-N 1 1 435.494 4.317 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000019560938 569226982 /nfs/dbraw/zinc/22/69/82/569226982.db2.gz OOTFJOFRMSALTD-PXDATVDWSA-N 1 1 437.584 4.359 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000019567301 569227043 /nfs/dbraw/zinc/22/70/43/569227043.db2.gz CIHJJHNMJQTKQT-HFZDXXHNSA-N 1 1 444.579 4.485 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000019577344 569227359 /nfs/dbraw/zinc/22/73/59/569227359.db2.gz XKQSCTLRMDHXOT-BKMJKUGQSA-N 1 1 444.579 4.485 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1CCOc1ccccc1F ZINC000019696257 569229642 /nfs/dbraw/zinc/22/96/42/569229642.db2.gz CEMWNLVPSPRWAT-DEOSSOPVSA-N 1 1 441.572 4.481 40 0 IIABMO Cc1ccc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1C ZINC000019702615 569232241 /nfs/dbraw/zinc/23/22/41/569232241.db2.gz FEDIDYVDMYQVEP-FQEVSTJZSA-N 1 1 435.593 4.375 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)cc1 ZINC000019763526 569328860 /nfs/dbraw/zinc/32/88/60/569328860.db2.gz ZCVBELBVRILQTI-HSZRJFAPSA-N 1 1 444.579 4.493 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763479 569328944 /nfs/dbraw/zinc/32/89/44/569328944.db2.gz JNUXRQPOUFBZGE-NRFANRHFSA-N 1 1 448.542 4.113 40 0 IIABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cc6ccccc6s5)ccc43)C2)CC1 ZINC000005411712 291378143 /nfs/dbraw/zinc/37/81/43/291378143.db2.gz JUPNDPKUAYCXHU-AZUAARDMSA-N 1 1 447.604 4.160 40 0 biogenic,in-vitro IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000035828565 525436801 /nfs/dbraw/zinc/43/68/01/525436801.db2.gz WTPLCNNGJKQFFS-NYMACZPPSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000035828565 525436811 /nfs/dbraw/zinc/43/68/11/525436811.db2.gz WTPLCNNGJKQFFS-NYMACZPPSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c(OC)c1 ZINC000009933428 556317050 /nfs/dbraw/zinc/31/70/50/556317050.db2.gz LCJQCOAFKBGZLJ-DEOSSOPVSA-N 1 1 436.596 4.397 40 0 IIABMO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044908710 556680481 /nfs/dbraw/zinc/68/04/81/556680481.db2.gz QZYSHRGLYMZKDO-FQEVSTJZSA-N 1 1 430.548 4.451 40 0 IIABMO CCc1n[nH]c(C(=O)NC2CC[NH+](CC3(c4ccc(OC)cc4)CCCCC3)CC2)c1C ZINC000045196167 556685541 /nfs/dbraw/zinc/68/55/41/556685541.db2.gz KMBCFNRGRNIFIE-UHFFFAOYSA-N 1 1 438.616 4.385 40 0 IIABMO O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019014770 556692304 /nfs/dbraw/zinc/69/23/04/556692304.db2.gz JAKTXKCZJLHPGB-QFIPXVFZSA-N 1 1 426.605 4.095 40 0 IIABMO CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082355 556697383 /nfs/dbraw/zinc/69/73/83/556697383.db2.gz NLTGBYBPOLBEQY-OLMNPRSZSA-N 1 1 441.542 4.065 40 0 IIABMO CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082355 556697386 /nfs/dbraw/zinc/69/73/86/556697386.db2.gz NLTGBYBPOLBEQY-OLMNPRSZSA-N 1 1 441.542 4.065 40 0 IIABMO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019083891 556698288 /nfs/dbraw/zinc/69/82/88/556698288.db2.gz VBGFQZGPGIBXEB-KURKYZTESA-N 1 1 425.612 4.471 40 0 IIABMO CN(C)CC(C)(C)C[N@H+]1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019083891 556698291 /nfs/dbraw/zinc/69/82/91/556698291.db2.gz VBGFQZGPGIBXEB-KURKYZTESA-N 1 1 425.612 4.471 40 0 IIABMO Cc1c(C)n(C[C@H](O)C[N@H+](C)Cc2ccc(OCCn3cccn3)cc2)c2ccccc12 ZINC000257335664 556706373 /nfs/dbraw/zinc/70/63/73/556706373.db2.gz YLHRHJOLYUQBMP-HSZRJFAPSA-N 1 1 432.568 4.027 40 0 IIABMO Fc1ccc(COc2cccc(C[N@H+]3CCOC[C@@H](Cc4cn5ccnc5cn4)C3)c2)cc1 ZINC000257228251 556708495 /nfs/dbraw/zinc/70/84/95/556708495.db2.gz FTCBQGZOTHVFBY-QFIPXVFZSA-N 1 1 446.526 4.139 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230821 556709048 /nfs/dbraw/zinc/70/90/48/556709048.db2.gz GEBMKIORUWCPAU-ZJSXRUAMSA-N 1 1 446.494 4.067 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230821 556709049 /nfs/dbraw/zinc/70/90/49/556709049.db2.gz GEBMKIORUWCPAU-ZJSXRUAMSA-N 1 1 446.494 4.067 40 0 IIABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019448943 556758954 /nfs/dbraw/zinc/75/89/54/556758954.db2.gz CPMWWRPCKVZWEL-HHHXNRCGSA-N 1 1 428.580 4.493 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454988 556765210 /nfs/dbraw/zinc/76/52/10/556765210.db2.gz MMADUJRTUVNODE-CPJSRVTESA-N 1 1 425.573 4.099 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502833 556773929 /nfs/dbraw/zinc/77/39/29/556773929.db2.gz XNHNQQNKVIPPOO-VWLOTQADSA-N 1 1 428.580 4.365 40 0 IIABMO CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019503569 556775284 /nfs/dbraw/zinc/77/52/84/556775284.db2.gz BHVHZJNGZZQHJM-HHHXNRCGSA-N 1 1 428.580 4.495 40 0 IIABMO CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019503567 556775303 /nfs/dbraw/zinc/77/53/03/556775303.db2.gz OBTCKCZMBZYFTO-MHZLTWQESA-N 1 1 428.580 4.495 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001353341 556781473 /nfs/dbraw/zinc/78/14/73/556781473.db2.gz JPRPWQFPEPZAAV-FQEVSTJZSA-N 1 1 436.531 4.494 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)cn1 ZINC000019524907 556782350 /nfs/dbraw/zinc/78/23/50/556782350.db2.gz ZGUDXKBNFLJXNL-HHHXNRCGSA-N 1 1 445.611 4.315 40 0 IIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019529132 556790552 /nfs/dbraw/zinc/79/05/52/556790552.db2.gz OTLAUKOSDNAGCL-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO CCOc1ccc(C[NH+]2CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)cc1 ZINC000001370642 556792469 /nfs/dbraw/zinc/79/24/69/556792469.db2.gz XRKIGLUISWQQCL-UHFFFAOYSA-N 1 1 431.565 4.474 40 0 IIABMO COc1ccc(C(=O)N[C@@H](OC[C@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000002137331 556799068 /nfs/dbraw/zinc/79/90/68/556799068.db2.gz ATPAPKBRPPCFQM-SUMDDJOVSA-N 1 1 449.806 4.402 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 ZINC000019580413 556818444 /nfs/dbraw/zinc/81/84/44/556818444.db2.gz COLNSMMZAROBEO-MHZLTWQESA-N 1 1 429.564 4.280 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000019584437 556821888 /nfs/dbraw/zinc/82/18/88/556821888.db2.gz CENZSVRTAAVGLL-LJQANCHMSA-N 1 1 433.556 4.001 40 0 IIABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442595 556836015 /nfs/dbraw/zinc/83/60/15/556836015.db2.gz UHQLXYFYKQIZKQ-XMMPIXPASA-N 1 1 442.567 4.145 40 0 IIABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019690508 556846563 /nfs/dbraw/zinc/84/65/63/556846563.db2.gz UWMKIKQVFXNSQZ-KRWDZBQOSA-N 1 1 449.517 4.022 40 0 IIABMO Cc1nc(C2CC[NH+](Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2C1CCCC1 ZINC000019739275 556877265 /nfs/dbraw/zinc/87/72/65/556877265.db2.gz BYKRLHSANRJVIG-UHFFFAOYSA-N 1 1 448.615 4.300 40 0 IIABMO Cc1nc([C@H]2CCCC[N@@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019740900 556881936 /nfs/dbraw/zinc/88/19/36/556881936.db2.gz BLGYUCIGYQOZGF-XMMPIXPASA-N 1 1 441.579 4.429 40 0 IIABMO Cc1nc([C@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019740900 556881939 /nfs/dbraw/zinc/88/19/39/556881939.db2.gz BLGYUCIGYQOZGF-XMMPIXPASA-N 1 1 441.579 4.429 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000072330466 556905711 /nfs/dbraw/zinc/90/57/11/556905711.db2.gz OWNMDAOWONQVCU-HOFKKMOUSA-N 1 1 429.564 4.402 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000072330543 556906196 /nfs/dbraw/zinc/90/61/96/556906196.db2.gz FAPFMKBZDUMDCB-RLWLMLJZSA-N 1 1 445.563 4.482 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000072352296 556923604 /nfs/dbraw/zinc/92/36/04/556923604.db2.gz ATMOMUOMTSBHCE-INIZCTEOSA-N 1 1 440.613 4.288 40 0 IIABMO COc1ccc2c(C[N@H+]3CC[C@@H](c4c5cccnc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352527 556924490 /nfs/dbraw/zinc/92/44/90/556924490.db2.gz CWTLFUDIIIISLK-MRXNPFEDSA-N 1 1 448.592 4.488 40 0 IIABMO Fc1ccc(OCCc2cc([C@H]3CC[N@@H+](CCOc4ccccc4F)C3)[nH]n2)cc1F ZINC000072371703 556940532 /nfs/dbraw/zinc/94/05/32/556940532.db2.gz ZIRJIOCAZKARRA-INIZCTEOSA-N 1 1 431.458 4.317 40 0 IIABMO Fc1ccc(OCCc2cc([C@H]3CC[N@H+](CCOc4ccccc4F)C3)n[nH]2)cc1F ZINC000072371703 556940533 /nfs/dbraw/zinc/94/05/33/556940533.db2.gz ZIRJIOCAZKARRA-INIZCTEOSA-N 1 1 431.458 4.317 40 0 IIABMO Fc1ccc(OCCc2cc([C@H]3CC[N@@H+](CCOc4ccccc4F)C3)n[nH]2)cc1F ZINC000072371703 556940534 /nfs/dbraw/zinc/94/05/34/556940534.db2.gz ZIRJIOCAZKARRA-INIZCTEOSA-N 1 1 431.458 4.317 40 0 IIABMO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374566 556948459 /nfs/dbraw/zinc/94/84/59/556948459.db2.gz PXDWIVWWRUFTHY-QHCPKHFHSA-N 1 1 446.599 4.356 40 0 IIABMO CCOc1ccc(CN2Cc3cc(OC)ccc3O[C@]3(CCC[N@@H+](C)CC3)C2)cc1OC ZINC000072394511 556965881 /nfs/dbraw/zinc/96/58/81/556965881.db2.gz PAHDQTYXCGTKOH-SANMLTNESA-N 1 1 440.584 4.352 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000072398663 556970360 /nfs/dbraw/zinc/97/03/60/556970360.db2.gz CIHJJHNMJQTKQT-RLWLMLJZSA-N 1 1 444.579 4.485 40 0 IIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccc(C)cc3)cc2)CC1 ZINC000409185860 556990855 /nfs/dbraw/zinc/99/08/55/556990855.db2.gz ROEPRMQEMGCXDN-UHFFFAOYSA-N 1 1 429.564 4.256 40 0 IIABMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257277178 556993325 /nfs/dbraw/zinc/99/33/25/556993325.db2.gz NWTKMFHFVNJVJQ-UGGKCQTMSA-N 1 1 428.577 4.041 40 0 IIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000585106539 557040229 /nfs/dbraw/zinc/04/02/29/557040229.db2.gz AGHZUOMYHJNPPY-HHHXNRCGSA-N 1 1 428.580 4.335 40 0 IIABMO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1cccs1 ZINC000585110047 557042447 /nfs/dbraw/zinc/04/24/47/557042447.db2.gz ATQIMSHMHQZXCZ-SFTDATJTSA-N 1 1 431.561 4.172 40 0 IIABMO O=C(Cc1ccccc1)NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12 ZINC000585110169 557043140 /nfs/dbraw/zinc/04/31/40/557043140.db2.gz RLXXATQGKSVEQK-DQEYMECFSA-N 1 1 439.559 4.039 40 0 IIABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2cccc(F)c2)c1 ZINC000585262199 557201247 /nfs/dbraw/zinc/20/12/47/557201247.db2.gz GUQJAWNRKYAJIB-HWBMXIPRSA-N 1 1 439.531 4.037 40 0 IIABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2cccc(F)c2)c1 ZINC000585262199 557201249 /nfs/dbraw/zinc/20/12/49/557201249.db2.gz GUQJAWNRKYAJIB-HWBMXIPRSA-N 1 1 439.531 4.037 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 ZINC000585273336 557215249 /nfs/dbraw/zinc/21/52/49/557215249.db2.gz ZVZBFWGPFZXTEM-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO O[C@H]1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585287512 557227726 /nfs/dbraw/zinc/22/77/26/557227726.db2.gz NOCBISPEBRENMT-WJNSRDFLSA-N 1 1 433.951 4.382 40 0 IIABMO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219241697 557232595 /nfs/dbraw/zinc/23/25/95/557232595.db2.gz BWKFAZMEWYPGPW-SFHVURJKSA-N 1 1 434.540 4.249 40 0 IIABMO COc1cccc(C[NH+](Cc2cccc(OC)c2)Cc2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000057774688 557264430 /nfs/dbraw/zinc/26/44/30/557264430.db2.gz CBDKZGPNNSBPIA-UHFFFAOYSA-N 1 1 442.519 4.464 40 0 IIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501151 557324740 /nfs/dbraw/zinc/32/47/40/557324740.db2.gz ABDOZRVAWRGQJW-QHCPKHFHSA-N 1 1 446.555 4.360 40 0 IIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501151 557324743 /nfs/dbraw/zinc/32/47/43/557324743.db2.gz ABDOZRVAWRGQJW-QHCPKHFHSA-N 1 1 446.555 4.360 40 0 IIABMO CCOc1ccc(Cl)cc1S(=O)(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000223005829 557414757 /nfs/dbraw/zinc/41/47/57/557414757.db2.gz AZQPMFQMFOVOKT-UHFFFAOYSA-N 1 1 440.352 4.331 40 0 IIABMO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000224543298 557619239 /nfs/dbraw/zinc/61/92/39/557619239.db2.gz ISXCDGLJOOAOJH-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000224543227 557619297 /nfs/dbraw/zinc/61/92/97/557619297.db2.gz FQCISTVDOWLWST-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225269865 557707523 /nfs/dbraw/zinc/70/75/23/557707523.db2.gz JXIYBQKPKSCQRM-KRWDZBQOSA-N 1 1 435.351 4.162 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527771 568613117 /nfs/dbraw/zinc/61/31/17/568613117.db2.gz QMZALLYKMLCAEM-DEOSSOPVSA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527771 568613119 /nfs/dbraw/zinc/61/31/19/568613119.db2.gz QMZALLYKMLCAEM-DEOSSOPVSA-N 1 1 443.595 4.185 40 0 IIABMO CC[C@@H](C)C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221036 568675035 /nfs/dbraw/zinc/67/50/35/568675035.db2.gz DNGIFFZEYGCUQE-NTKDMRAZSA-N 1 1 437.024 4.404 40 0 IIABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257225680 568677077 /nfs/dbraw/zinc/67/70/77/568677077.db2.gz FHHNYKADWKIOFZ-OAQYLSRUSA-N 1 1 442.567 4.018 40 0 IIABMO Cc1nc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257231878 568679684 /nfs/dbraw/zinc/67/96/84/568679684.db2.gz GINRNJRBKNYHLY-JOCHJYFZSA-N 1 1 444.554 4.436 40 0 IIABMO C[C@]12C[C@@H](c3ccc(F)cc3)[N@H+](CC(=O)Nc3ccc(F)cc3)[C@H]1CCCCC(=O)N2 ZINC000257248890 568687906 /nfs/dbraw/zinc/68/79/06/568687906.db2.gz JFRLVPKYBLDFBF-HFMPRLQTSA-N 1 1 427.495 4.168 40 0 IIABMO C[C@]12C[C@@H](c3ccc(F)cc3)[N@@H+](CC(=O)Nc3ccc(F)cc3)[C@H]1CCCCC(=O)N2 ZINC000257248890 568687907 /nfs/dbraw/zinc/68/79/07/568687907.db2.gz JFRLVPKYBLDFBF-HFMPRLQTSA-N 1 1 427.495 4.168 40 0 IIABMO Cc1nnc([N-]c2cccc([C@@H]3CN(Cc4cn(C)c5ccc(F)cc45)CCO3)n2)s1 ZINC000257251334 568688991 /nfs/dbraw/zinc/68/89/91/568688991.db2.gz JQIQUDWWMLYYRO-FQEVSTJZSA-N 1 1 438.532 4.189 40 0 IIABMO COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cc[nH+]c5C)cc4)OCC[C@@]31C2 ZINC000257256329 568691526 /nfs/dbraw/zinc/69/15/26/568691526.db2.gz KKZMBUKOMFMCES-VSCLMIGZSA-N 1 1 437.584 4.216 40 0 IIABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4n[nH]c5ccc(C)cc54)CCO3)c2)s1 ZINC000257279293 568701791 /nfs/dbraw/zinc/70/17/91/568701791.db2.gz OFYMBBWASABBNE-HXUWFJFHSA-N 1 1 448.552 4.297 40 0 IIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293006 568708149 /nfs/dbraw/zinc/70/81/49/568708149.db2.gz QNTZVGKVUYRKCU-XUZZJYLKSA-N 1 1 435.616 4.298 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)nc2)n1 ZINC000257298471 568710557 /nfs/dbraw/zinc/71/05/57/568710557.db2.gz RLTXMFCLTHMNDP-DEOSSOPVSA-N 1 1 426.524 4.354 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)nc2)n1 ZINC000257298471 568710561 /nfs/dbraw/zinc/71/05/61/568710561.db2.gz RLTXMFCLTHMNDP-DEOSSOPVSA-N 1 1 426.524 4.354 40 0 IIABMO COc1ccc(OCCc2cc([C@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)[nH]n2)cc1 ZINC000257312746 568716876 /nfs/dbraw/zinc/71/68/76/568716876.db2.gz UPJFJMOTUFWCBR-AREMUKBSSA-N 1 1 446.551 4.105 40 0 IIABMO COc1ccc(OCCc2cc([C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)[nH]n2)cc1 ZINC000257312746 568716877 /nfs/dbraw/zinc/71/68/77/568716877.db2.gz UPJFJMOTUFWCBR-AREMUKBSSA-N 1 1 446.551 4.105 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2ccccn2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306129397 568765748 /nfs/dbraw/zinc/76/57/48/568765748.db2.gz IBWKGUDBJXJLFI-RPLLCQBOSA-N 1 1 443.595 4.267 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130844 568766359 /nfs/dbraw/zinc/76/63/59/568766359.db2.gz JRBQZPIJVRJBOH-BVAGGSTKSA-N 1 1 447.558 4.016 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306130845 568766505 /nfs/dbraw/zinc/76/65/05/568766505.db2.gz JRBQZPIJVRJBOH-JYFHCDHNSA-N 1 1 447.558 4.016 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329067659 568810968 /nfs/dbraw/zinc/81/09/68/568810968.db2.gz YJXWNIQRJPYLGU-SFHVURJKSA-N 1 1 431.378 4.108 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329067659 568810970 /nfs/dbraw/zinc/81/09/70/568810970.db2.gz YJXWNIQRJPYLGU-SFHVURJKSA-N 1 1 431.378 4.108 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198482 568921735 /nfs/dbraw/zinc/92/17/35/568921735.db2.gz AGZMFWWASXUXNB-MIUUGJTFSA-N 1 1 444.579 4.047 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198482 568921736 /nfs/dbraw/zinc/92/17/36/568921736.db2.gz AGZMFWWASXUXNB-MIUUGJTFSA-N 1 1 444.579 4.047 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198482 568921737 /nfs/dbraw/zinc/92/17/37/568921737.db2.gz AGZMFWWASXUXNB-MIUUGJTFSA-N 1 1 444.579 4.047 40 0 IIABMO O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccccc2)N1 ZINC000019373761 568989494 /nfs/dbraw/zinc/98/94/94/568989494.db2.gz DYVBYGGEKDWADP-RPLLCQBOSA-N 1 1 427.548 4.299 40 0 IIABMO C[C@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000248159030 569207375 /nfs/dbraw/zinc/20/73/75/569207375.db2.gz WSYMNBBJHPQMAU-SFHLNBCPSA-N 1 1 432.568 4.117 40 0 IIABMO C[C@H](CC[N@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248247507 569207470 /nfs/dbraw/zinc/20/74/70/569207470.db2.gz QYXYSPJQLRYFRP-JIPXPUAJSA-N 1 1 428.580 4.447 40 0 IIABMO COc1ccc2c(c1)c([C@@H](O)C[N@H+]1CCC[C@@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000019581549 569227166 /nfs/dbraw/zinc/22/71/66/569227166.db2.gz NYJGQVOZZSASPR-ZCYQVOJMSA-N 1 1 426.532 4.042 40 0 IIABMO CCc1nc(-c2cncnc2[C@@H]2CC[N@@H+](Cc3ccc(OC(C)C)c(COC)c3)C2)no1 ZINC000019693714 569229076 /nfs/dbraw/zinc/22/90/76/569229076.db2.gz IYAVWTFTFVRHDP-GOSISDBHSA-N 1 1 437.544 4.012 40 0 IIABMO COc1ccc(-c2nc([C@@H]3CCC[N@@H+](Cc4cccc(OC(C)C)c4)C3)[nH]c2C(N)=O)cc1 ZINC000019698937 569230312 /nfs/dbraw/zinc/23/03/12/569230312.db2.gz VAUJBTCDPNHKKX-HXUWFJFHSA-N 1 1 448.567 4.351 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCOCC3)CC2)sc1CCOc1ccccc1F ZINC000019705370 569234152 /nfs/dbraw/zinc/23/41/52/569234152.db2.gz DJRBLDOJFKIFLO-HSZRJFAPSA-N 1 1 434.577 4.065 40 0 IIABMO COc1cccc(C[N@H+]2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)c1OC ZINC000019713937 569235811 /nfs/dbraw/zinc/23/58/11/569235811.db2.gz KKXYNGQWZHHNFA-BHIFYINESA-N 1 1 426.532 4.087 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012705854 521632843 /nfs/dbraw/zinc/63/28/43/521632843.db2.gz WNLDVXDNYWQOFM-HSZRJFAPSA-N 1 1 438.616 4.474 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000012711738 521652978 /nfs/dbraw/zinc/65/29/78/521652978.db2.gz LXKKQTBIVFZNGZ-QHCPKHFHSA-N 1 1 432.568 4.033 40 0 IIABMO C[C@H](C[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1)c1ccccc1 ZINC000012182795 524291934 /nfs/dbraw/zinc/29/19/34/524291934.db2.gz VJFPZLJEDCFEHX-VOQZNFBZSA-N 1 1 438.572 4.122 40 0 IIABMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182759 526759704 /nfs/dbraw/zinc/75/97/04/526759704.db2.gz NWTKMFHFVNJVJQ-KHHDVDEJSA-N 1 1 428.577 4.041 40 0 IIABMO COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000514290230 556626065 /nfs/dbraw/zinc/62/60/65/556626065.db2.gz WAKDKFMGSWTCAG-OHSXHVKISA-N 1 1 448.538 4.331 40 0 biogenic,in-vitro IIABMO COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000514290230 556626068 /nfs/dbraw/zinc/62/60/68/556626068.db2.gz WAKDKFMGSWTCAG-OHSXHVKISA-N 1 1 448.538 4.331 40 0 biogenic,in-vitro IIABMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855649 556671950 /nfs/dbraw/zinc/67/19/50/556671950.db2.gz WHBQLHPYLZUFDU-GCJKJVERSA-N 1 1 426.532 4.465 40 0 IIABMO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044906659 556680107 /nfs/dbraw/zinc/68/01/07/556680107.db2.gz WUVPGPBPQYSPDA-UHFFFAOYSA-N 1 1 445.401 4.419 40 0 IIABMO O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019014772 556692000 /nfs/dbraw/zinc/69/20/00/556692000.db2.gz JAKTXKCZJLHPGB-JOCHJYFZSA-N 1 1 426.605 4.095 40 0 IIABMO O=C1O[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)CN1Cc1ccc(F)cc1 ZINC000257213611 556702707 /nfs/dbraw/zinc/70/27/07/556702707.db2.gz CIIKLVYGTASGHS-AREMUKBSSA-N 1 1 447.510 4.397 40 0 IIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133989 556705274 /nfs/dbraw/zinc/70/52/74/556705274.db2.gz HQVHPDKQPZIJTF-NRFANRHFSA-N 1 1 446.599 4.174 40 0 IIABMO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccs2)C3)cc1 ZINC000019135413 556706191 /nfs/dbraw/zinc/70/61/91/556706191.db2.gz MZEOLJCUGJAYLX-QFIPXVFZSA-N 1 1 448.592 4.478 40 0 IIABMO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccs2)C3)cc1 ZINC000019135413 556706195 /nfs/dbraw/zinc/70/61/95/556706195.db2.gz MZEOLJCUGJAYLX-QFIPXVFZSA-N 1 1 448.592 4.478 40 0 IIABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257246101 556711063 /nfs/dbraw/zinc/71/10/63/556711063.db2.gz ISMRDVWGOLDBSU-MHZLTWQESA-N 1 1 447.554 4.422 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)c(C)c1 ZINC000257276955 556714554 /nfs/dbraw/zinc/71/45/54/556714554.db2.gz NVWQRRNMHLLGHE-MHZLTWQESA-N 1 1 438.612 4.037 40 0 IIABMO Cc1[nH]c2ccc(CNC(=O)C[N@@H+]3CCOC[C@H](Cc4cccc5occc54)C3)cc2c1C ZINC000257291291 556716351 /nfs/dbraw/zinc/71/63/51/556716351.db2.gz QGJJRJVPFSLRLV-OAQYLSRUSA-N 1 1 445.563 4.338 40 0 IIABMO Cc1[nH]c2ccc(CNC(=O)C[N@H+]3CCOC[C@H](Cc4cccc5occc54)C3)cc2c1C ZINC000257291291 556716353 /nfs/dbraw/zinc/71/63/53/556716353.db2.gz QGJJRJVPFSLRLV-OAQYLSRUSA-N 1 1 445.563 4.338 40 0 IIABMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257309977 556718527 /nfs/dbraw/zinc/71/85/27/556718527.db2.gz UDDXDAFFZNYPLR-FQEVSTJZSA-N 1 1 428.536 4.096 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3cc2N)C1 ZINC000019288229 556728577 /nfs/dbraw/zinc/72/85/77/556728577.db2.gz HEWIUAXLVIXEMZ-NRFANRHFSA-N 1 1 425.536 4.390 40 0 IIABMO O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019368813 556746687 /nfs/dbraw/zinc/74/66/87/556746687.db2.gz AQJFTKVRKMABSI-NRFANRHFSA-N 1 1 434.565 4.169 40 0 IIABMO O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019368813 556746689 /nfs/dbraw/zinc/74/66/89/556746689.db2.gz AQJFTKVRKMABSI-NRFANRHFSA-N 1 1 434.565 4.169 40 0 IIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]2c2ccccn2)N1 ZINC000019401989 556753963 /nfs/dbraw/zinc/75/39/63/556753963.db2.gz YQLHBLSWOMWFTJ-RPLLCQBOSA-N 1 1 442.563 4.084 40 0 IIABMO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019447342 556756741 /nfs/dbraw/zinc/75/67/41/556756741.db2.gz KQFPFQRXJRKTFR-HHHXNRCGSA-N 1 1 428.580 4.351 40 0 IIABMO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C3)cc2N1 ZINC000019451381 556762070 /nfs/dbraw/zinc/76/20/70/556762070.db2.gz CFNNHBJNQZTVQJ-ZIFCJYIRSA-N 1 1 443.558 4.261 40 0 IIABMO COc1ncc(C[N@@H+]2CCC[C@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019452298 556763179 /nfs/dbraw/zinc/76/31/79/556763179.db2.gz YAQGBHOYTMWLLL-HNNXBMFYSA-N 1 1 434.466 4.050 40 0 IIABMO COc1ncc(C[N@H+]2CCC[C@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019452298 556763180 /nfs/dbraw/zinc/76/31/80/556763180.db2.gz YAQGBHOYTMWLLL-HNNXBMFYSA-N 1 1 434.466 4.050 40 0 IIABMO CCN1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527707 556787058 /nfs/dbraw/zinc/78/70/58/556787058.db2.gz SKVXBTOIDWESGD-QFIPXVFZSA-N 1 1 445.611 4.292 40 0 IIABMO CCN1CC[N@@H+](Cc2ccc(OC)cc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527754 556787359 /nfs/dbraw/zinc/78/73/59/556787359.db2.gz TVJBZFJLDLOLDQ-XMMPIXPASA-N 1 1 429.564 4.280 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(=O)NC)C2)cc1 ZINC000019533225 556793397 /nfs/dbraw/zinc/79/33/97/556793397.db2.gz XMTGHBCDYPKGGW-MHZLTWQESA-N 1 1 444.579 4.113 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c1 ZINC000019580356 556818437 /nfs/dbraw/zinc/81/84/37/556818437.db2.gz CNODVHVFUNLZMH-MHZLTWQESA-N 1 1 429.564 4.280 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 ZINC000019580406 556818471 /nfs/dbraw/zinc/81/84/71/556818471.db2.gz YDNMXWDLLZTSNN-MHZLTWQESA-N 1 1 429.564 4.280 40 0 IIABMO COCCn1c(C)c(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccccc21 ZINC000019581935 556819885 /nfs/dbraw/zinc/81/98/85/556819885.db2.gz CKYBTQUDXWZUQU-WNCULLNHSA-N 1 1 446.595 4.020 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019591275 556826494 /nfs/dbraw/zinc/82/64/94/556826494.db2.gz NMFNQCHYYPBBNJ-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+]2Cc2ccccc2Cl)n1 ZINC000019690448 556846387 /nfs/dbraw/zinc/84/63/87/556846387.db2.gz XWTQNDQEODHYAF-OAQYLSRUSA-N 1 1 435.959 4.299 40 0 IIABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c(C)n1 ZINC000019694343 556850105 /nfs/dbraw/zinc/85/01/05/556850105.db2.gz MPKGZYHROMUCOG-HSZRJFAPSA-N 1 1 434.588 4.470 40 0 IIABMO CNc1nc([C@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nc2c1CC[N@H+](C)C2 ZINC000019707374 556866869 /nfs/dbraw/zinc/86/68/69/556866869.db2.gz FADQXBXGDJEILW-HSZRJFAPSA-N 1 1 427.552 4.151 40 0 IIABMO CNc1nc([C@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nc2c1CC[N@@H+](C)C2 ZINC000019707374 556866871 /nfs/dbraw/zinc/86/68/71/556866871.db2.gz FADQXBXGDJEILW-HSZRJFAPSA-N 1 1 427.552 4.151 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072337787 556910795 /nfs/dbraw/zinc/91/07/95/556910795.db2.gz SUIIRPWYWVEHST-JXFKEZNVSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000072337787 556910798 /nfs/dbraw/zinc/91/07/98/556910798.db2.gz SUIIRPWYWVEHST-JXFKEZNVSA-N 1 1 428.508 4.200 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000072352297 556923680 /nfs/dbraw/zinc/92/36/80/556923680.db2.gz ATMOMUOMTSBHCE-MRXNPFEDSA-N 1 1 440.613 4.288 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C1)CO2 ZINC000072371498 556939094 /nfs/dbraw/zinc/93/90/94/556939094.db2.gz BXCFZGCZCZXQMS-LJQANCHMSA-N 1 1 449.526 4.444 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C1)CO2 ZINC000072371498 556939098 /nfs/dbraw/zinc/93/90/98/556939098.db2.gz BXCFZGCZCZXQMS-LJQANCHMSA-N 1 1 449.526 4.444 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C1)CO2 ZINC000072371498 556939102 /nfs/dbraw/zinc/93/91/02/556939102.db2.gz BXCFZGCZCZXQMS-LJQANCHMSA-N 1 1 449.526 4.444 40 0 IIABMO Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000072372742 556944116 /nfs/dbraw/zinc/94/41/16/556944116.db2.gz KPQSJGQAUJOYNV-KRWDZBQOSA-N 1 1 426.546 4.393 40 0 IIABMO Cc1csc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)n1 ZINC000072375656 556952239 /nfs/dbraw/zinc/95/22/39/556952239.db2.gz VBLXFFOGBQINFL-GOSISDBHSA-N 1 1 434.569 4.118 40 0 IIABMO Cc1nnc(Nc2cccc(C3CC[NH+](CC(=O)N4CCCc5ccccc54)CC3)n2)s1 ZINC000072376136 556954305 /nfs/dbraw/zinc/95/43/05/556954305.db2.gz QGKLOAYVWGDTIW-UHFFFAOYSA-N 1 1 448.596 4.144 40 0 IIABMO CCc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c(Br)c1 ZINC000216492385 557147722 /nfs/dbraw/zinc/14/77/22/557147722.db2.gz BYWWNUIHELMHJM-UHFFFAOYSA-N 1 1 428.330 4.201 40 0 IIABMO O=C(NCCC[NH+]1CCOCC1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096037904 557165388 /nfs/dbraw/zinc/16/53/88/557165388.db2.gz LQTGKNOUOYTHCU-UHFFFAOYSA-N 1 1 448.548 4.070 40 0 IIABMO CCc1ccc(NC(=O)N2CCC3(C[N@H+](CC(C)C)C[C@@]34CCN(CC)C4=O)CC2)cc1 ZINC000096144343 557172044 /nfs/dbraw/zinc/17/20/44/557172044.db2.gz QZRIOYAOEXRHIF-AREMUKBSSA-N 1 1 440.632 4.073 40 0 IIABMO CCc1ccc(NC(=O)N2CCC3(C[N@H+](CC(C)C)C[C@]34CCN(CC)C4=O)CC2)cc1 ZINC000096144344 557172116 /nfs/dbraw/zinc/17/21/16/557172116.db2.gz QZRIOYAOEXRHIF-SANMLTNESA-N 1 1 440.632 4.073 40 0 IIABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCc3ccccn3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261696 557195738 /nfs/dbraw/zinc/19/57/38/557195738.db2.gz OFWUFUMNUMVOBG-RPLLCQBOSA-N 1 1 445.538 4.438 40 0 IIABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261687 557195784 /nfs/dbraw/zinc/19/57/84/557195784.db2.gz INDZLUVTBXYGAV-RPLLCQBOSA-N 1 1 445.538 4.438 40 0 IIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OC[C@H]3CCCO3)C[C@H]2c2ccccc2)N1 ZINC000585261705 557196404 /nfs/dbraw/zinc/19/64/04/557196404.db2.gz XOJXRERVKAHGSV-ONBPZOJHSA-N 1 1 434.580 4.273 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585270247 557214129 /nfs/dbraw/zinc/21/41/29/557214129.db2.gz ASRBXFXOSPGLAA-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO CN(CCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000219422750 557243819 /nfs/dbraw/zinc/24/38/19/557243819.db2.gz JAAJRUPDPCCLIY-UHFFFAOYSA-N 1 1 444.417 4.304 40 0 IIABMO O=C(NCc1nc(-c2ccccc2Cl)no1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222600217 557359176 /nfs/dbraw/zinc/35/91/76/557359176.db2.gz DAXYBFSABZXFST-INIZCTEOSA-N 1 1 428.895 4.058 40 0 IIABMO COc1ccc(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1Cl ZINC000222980837 557410680 /nfs/dbraw/zinc/41/06/80/557410680.db2.gz NQJBNPIXZGTLIA-UHFFFAOYSA-N 1 1 440.352 4.331 40 0 IIABMO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000017096163 557487900 /nfs/dbraw/zinc/48/79/00/557487900.db2.gz NGHAHRIIVQUAEI-UHFFFAOYSA-N 1 1 428.747 4.416 40 0 IIABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c(Cl)c1 ZINC000017101231 557490166 /nfs/dbraw/zinc/49/01/66/557490166.db2.gz VWCDAKBBAVEUHQ-UHFFFAOYSA-N 1 1 437.396 4.180 40 0 IIABMO COc1ccc(OCc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2OC)cc1 ZINC000224269453 557583395 /nfs/dbraw/zinc/58/33/95/557583395.db2.gz KEUWEWBGKBSTOJ-UHFFFAOYSA-N 1 1 446.547 4.241 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 ZINC000224757685 557648385 /nfs/dbraw/zinc/64/83/85/557648385.db2.gz ILDIZKLEQPBVJB-JLPGSUDCSA-N 1 1 440.503 4.169 40 0 IIABMO CCOC(=O)c1cc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)ccc1Cl ZINC000225451021 557724432 /nfs/dbraw/zinc/72/44/32/557724432.db2.gz JVZZTJFMYMANIE-UHFFFAOYSA-N 1 1 428.945 4.497 40 0 IIABMO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000225576042 557745667 /nfs/dbraw/zinc/74/56/67/557745667.db2.gz JCNXVELSYGWWSG-UHFFFAOYSA-N 1 1 445.966 4.049 40 0 IIABMO C[C@H]1Cc2cccc3c2n1cc(C(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)c3=O ZINC000225862511 557786412 /nfs/dbraw/zinc/78/64/12/557786412.db2.gz KMVRAZDAMLNDEM-AWEZNQCLSA-N 1 1 432.911 4.162 40 0 IIABMO C[N@@H+](CCC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257211420 568670518 /nfs/dbraw/zinc/67/05/18/568670518.db2.gz BYUJEJMYGSUNDZ-JOCHJYFZSA-N 1 1 435.959 4.378 40 0 IIABMO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257221421 568674943 /nfs/dbraw/zinc/67/49/43/568674943.db2.gz DOYVIJIMYOQJAU-OAQYLSRUSA-N 1 1 433.600 4.183 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257243308 568685270 /nfs/dbraw/zinc/68/52/70/568685270.db2.gz IGHXUMIMRSTAPJ-FQEVSTJZSA-N 1 1 433.531 4.188 40 0 IIABMO CCCN1CC[N@@H+](Cc2[nH]c(CC)nc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244829 568686164 /nfs/dbraw/zinc/68/61/64/568686164.db2.gz IMZXXNGPQFEQOQ-QHCPKHFHSA-N 1 1 445.611 4.256 40 0 IIABMO Cc1ccccc1C[N@H+]1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1 ZINC000257247941 568687607 /nfs/dbraw/zinc/68/76/07/568687607.db2.gz JBFTZRCIZKAZLA-JOCHJYFZSA-N 1 1 447.627 4.491 40 0 IIABMO Cc1cc(N2CCO[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)nc(C)n1 ZINC000257251216 568689132 /nfs/dbraw/zinc/68/91/32/568689132.db2.gz JPWUWBULCVUYEB-FQEVSTJZSA-N 1 1 447.461 4.035 40 0 IIABMO Cc1cc(N2CCO[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)nc(C)[nH+]1 ZINC000257251216 568689135 /nfs/dbraw/zinc/68/91/35/568689135.db2.gz JPWUWBULCVUYEB-FQEVSTJZSA-N 1 1 447.461 4.035 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1Cl ZINC000257284549 568704225 /nfs/dbraw/zinc/70/42/25/568704225.db2.gz PDCDWTPRPOBDME-VWNXMTODSA-N 1 1 444.959 4.127 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1Cl ZINC000257284549 568704227 /nfs/dbraw/zinc/70/42/27/568704227.db2.gz PDCDWTPRPOBDME-VWNXMTODSA-N 1 1 444.959 4.127 40 0 IIABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257288630 568706342 /nfs/dbraw/zinc/70/63/42/568706342.db2.gz PVALFIPKNHTEFL-QHCPKHFHSA-N 1 1 426.564 4.296 40 0 IIABMO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)CCN2C(C)=O)cc1 ZINC000257345072 568730723 /nfs/dbraw/zinc/73/07/23/568730723.db2.gz ZZUZQGCYFWGZBE-VWLOTQADSA-N 1 1 431.536 4.075 40 0 IIABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)CCN2C(C)=O)cc1 ZINC000257345072 568730725 /nfs/dbraw/zinc/73/07/25/568730725.db2.gz ZZUZQGCYFWGZBE-VWLOTQADSA-N 1 1 431.536 4.075 40 0 IIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5cccc(C)n5)C4)nn3c2)c1OC ZINC000306124197 568763061 /nfs/dbraw/zinc/76/30/61/568763061.db2.gz BIYUJJJMCVREHI-FQEVSTJZSA-N 1 1 443.551 4.497 40 0 IIABMO O=C(NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccccc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133339 568767921 /nfs/dbraw/zinc/76/79/21/568767921.db2.gz MIRBRQWNQWKBSX-XXBNENTESA-N 1 1 449.378 4.173 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138023 568770526 /nfs/dbraw/zinc/77/05/26/568770526.db2.gz RMZPFTMMHLZUFD-RPLLCQBOSA-N 1 1 443.595 4.186 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306141733 568772390 /nfs/dbraw/zinc/77/23/90/568772390.db2.gz WEXXIWRMGLSNOW-URXFXBBRSA-N 1 1 426.992 4.346 40 0 IIABMO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccsc1)CC21CCN(c2ncccn2)CC1 ZINC000306143367 568773222 /nfs/dbraw/zinc/77/32/22/568773222.db2.gz YAHBZSVGLXENNZ-UHFFFAOYSA-N 1 1 434.613 4.007 40 0 IIABMO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccsc1)CC21CCN(c2ncccn2)CC1 ZINC000306143367 568773223 /nfs/dbraw/zinc/77/32/23/568773223.db2.gz YAHBZSVGLXENNZ-UHFFFAOYSA-N 1 1 434.613 4.007 40 0 IIABMO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329005250 568809108 /nfs/dbraw/zinc/80/91/08/568809108.db2.gz KXHHWJHXCIWWFE-LJQANCHMSA-N 1 1 433.394 4.354 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329049036 568810395 /nfs/dbraw/zinc/81/03/95/568810395.db2.gz UMIPFFZFVRKCTG-SFHVURJKSA-N 1 1 436.478 4.244 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329049036 568810396 /nfs/dbraw/zinc/81/03/96/568810396.db2.gz UMIPFFZFVRKCTG-SFHVURJKSA-N 1 1 436.478 4.244 40 0 IIABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329051428 568810613 /nfs/dbraw/zinc/81/06/13/568810613.db2.gz UXACRHCFOHDMBS-GOSISDBHSA-N 1 1 433.394 4.354 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000248141243 569207318 /nfs/dbraw/zinc/20/73/18/569207318.db2.gz QFKOPQAROXMRJR-QKNQBKEWSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3sccc3C)C2)[N@H+](C)C1 ZINC000248141243 569207319 /nfs/dbraw/zinc/20/73/19/569207319.db2.gz QFKOPQAROXMRJR-QKNQBKEWSA-N 1 1 427.614 4.236 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000248141243 569207320 /nfs/dbraw/zinc/20/73/20/569207320.db2.gz QFKOPQAROXMRJR-QKNQBKEWSA-N 1 1 427.614 4.236 40 0 IIABMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 ZINC000248194490 569207564 /nfs/dbraw/zinc/20/75/64/569207564.db2.gz OBWPIEQNTSOJDY-XIRDDKMYSA-N 1 1 443.558 4.311 40 0 IIABMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 ZINC000248194490 569207565 /nfs/dbraw/zinc/20/75/65/569207565.db2.gz OBWPIEQNTSOJDY-XIRDDKMYSA-N 1 1 443.558 4.311 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000019565027 569226953 /nfs/dbraw/zinc/22/69/53/569226953.db2.gz OWNMDAOWONQVCU-WNCULLNHSA-N 1 1 429.564 4.402 40 0 IIABMO CC(C)COc1ccccc1C[N@H+]1CC[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019686900 569227492 /nfs/dbraw/zinc/22/74/92/569227492.db2.gz AJSJKQPBGOWHLX-HXUWFJFHSA-N 1 1 432.572 4.024 40 0 IIABMO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c2ccc(F)cc21 ZINC000019693548 569228923 /nfs/dbraw/zinc/22/89/23/569228923.db2.gz MFRJGVSAZYGAAP-XMMPIXPASA-N 1 1 431.515 4.413 40 0 IIABMO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c2ccc(F)cc21 ZINC000019693548 569228924 /nfs/dbraw/zinc/22/89/24/569228924.db2.gz MFRJGVSAZYGAAP-XMMPIXPASA-N 1 1 431.515 4.413 40 0 IIABMO COc1ccc(-c2n[nH]cc2C[N@H+]2[C@@H]3CCCC(=O)N[C@H]3C[C@H]2c2ccccc2F)cc1 ZINC000019711744 569234907 /nfs/dbraw/zinc/23/49/07/569234907.db2.gz FFZXOCNOXYGPTR-ZRBLBEILSA-N 1 1 434.515 4.209 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CC[C@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019739001 569236338 /nfs/dbraw/zinc/23/63/38/569236338.db2.gz UTVGSIOIVJOBPH-FQEVSTJZSA-N 1 1 442.563 4.359 40 0 IIABMO COc1ccc2c(C[N@@H+]3CCC[C@H]3c3ncc(C(=O)N4CCCCC4)c(C)n3)cn(C)c2c1 ZINC000019756162 569236950 /nfs/dbraw/zinc/23/69/50/569236950.db2.gz GBPOBWYTHBTAAK-QHCPKHFHSA-N 1 1 447.583 4.249 40 0 IIABMO COc1ccc2c(C[N@H+]3CCC[C@H]3c3ncc(C(=O)N4CCCCC4)c(C)n3)cn(C)c2c1 ZINC000019756162 569236952 /nfs/dbraw/zinc/23/69/52/569236952.db2.gz GBPOBWYTHBTAAK-QHCPKHFHSA-N 1 1 447.583 4.249 40 0 IIABMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)cn2C(C)C ZINC000019763636 569238109 /nfs/dbraw/zinc/23/81/09/569238109.db2.gz INCOZJKEUBQREW-LJQANCHMSA-N 1 1 449.599 4.411 40 0 IIABMO COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855510 569249341 /nfs/dbraw/zinc/24/93/41/569249341.db2.gz AQNZQDWAZCGMJZ-PGRDOPGGSA-N 1 1 426.532 4.465 40 0 IIABMO O=C(C[NH+]1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 ZINC000019744870 569328468 /nfs/dbraw/zinc/32/84/68/569328468.db2.gz DALRAMMINLUVSD-DEOSSOPVSA-N 1 1 437.559 4.305 40 0 IIABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)ncc2C(=O)NCc2ccccc2)cc1 ZINC000019766961 569329258 /nfs/dbraw/zinc/32/92/58/569329258.db2.gz OPXORTBETDKUDI-XMMPIXPASA-N 1 1 430.552 4.451 40 0 IIABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)ncc2C(=O)NCc2ccccc2)cc1 ZINC000019766961 569329259 /nfs/dbraw/zinc/32/92/59/569329259.db2.gz OPXORTBETDKUDI-XMMPIXPASA-N 1 1 430.552 4.451 40 0 IIABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cnc4ccccc4c3)n2)cn1 ZINC000049155079 291382171 /nfs/dbraw/zinc/38/21/71/291382171.db2.gz LUMUBEXLENDYDA-NRFANRHFSA-N 1 1 430.512 4.075 40 0 biogenic,in-vitro IIABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cnc4ccccc4c3)n2)cn1 ZINC000049155079 291382172 /nfs/dbraw/zinc/38/21/72/291382172.db2.gz LUMUBEXLENDYDA-NRFANRHFSA-N 1 1 430.512 4.075 40 0 biogenic,in-vitro IIABMO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@@H+](C)Cc2ccccc2)c1 ZINC000067870699 291384082 /nfs/dbraw/zinc/38/40/82/291384082.db2.gz VICWOGQELNUADA-QNWVGRARSA-N 1 1 438.641 4.372 40 0 biogenic,in-vitro IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635525 521633380 /nfs/dbraw/zinc/63/33/80/521633380.db2.gz JGBICDYUELOJES-HSZRJFAPSA-N 1 1 448.636 4.198 40 0 IIABMO COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000012712267 522726530 /nfs/dbraw/zinc/72/65/30/522726530.db2.gz WXZZBILTBANMRN-UHFFFAOYSA-N 1 1 431.920 4.034 40 0 IIABMO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024613554 526598280 /nfs/dbraw/zinc/59/82/80/526598280.db2.gz CZTPYUHXMUILFD-UHFFFAOYSA-N 1 1 428.532 4.282 40 0 IIABMO O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020503140 527395088 /nfs/dbraw/zinc/39/50/88/527395088.db2.gz ODSHBLSUKJHLIY-RBUKOAKNSA-N 1 1 432.499 4.251 40 0 biogenic,in-vitro IIABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c(C)c1 ZINC000009329723 555556740 /nfs/dbraw/zinc/55/67/40/555556740.db2.gz NOGABQKHFOYBGO-ODAXIHTASA-N 1 1 428.532 4.434 40 0 IIABMO COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@H+]32)cc1O ZINC000003847182 555948370 /nfs/dbraw/zinc/94/83/70/555948370.db2.gz TYTIBYQBVJUCGJ-HJNYFJLDSA-N 1 1 425.525 4.340 40 0 IIABMO CC[NH+](CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C)OCO3 ZINC000031861169 556527531 /nfs/dbraw/zinc/52/75/31/556527531.db2.gz FEMIEKUWTKIHRN-BEYHJKFUSA-N 1 1 429.513 4.269 40 0 IIABMO CC[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000048520921 556700218 /nfs/dbraw/zinc/70/02/18/556700218.db2.gz ICBSBTSRZHYVGZ-OYMMJLNRSA-N 1 1 441.524 4.414 40 0 IIABMO O=C1O[C@@]2(CC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccc(F)cc1 ZINC000257207296 556702049 /nfs/dbraw/zinc/70/20/49/556702049.db2.gz BHDGLMNLWZFSLP-AREMUKBSSA-N 1 1 447.510 4.397 40 0 IIABMO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CCCO2)c1 ZINC000257218450 556703366 /nfs/dbraw/zinc/70/33/66/556703366.db2.gz DDFGDFAMEXDXDS-IDISGSTGSA-N 1 1 436.596 4.445 40 0 IIABMO Fc1cccc(COc2ccccc2C[N@H+]2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257221086 556707865 /nfs/dbraw/zinc/70/78/65/556707865.db2.gz DNKIEROAYUSAER-OAQYLSRUSA-N 1 1 446.526 4.139 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)c(C)c1 ZINC000257276954 556714627 /nfs/dbraw/zinc/71/46/27/556714627.db2.gz NVWQRRNMHLLGHE-HHHXNRCGSA-N 1 1 438.612 4.037 40 0 IIABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235962 556720545 /nfs/dbraw/zinc/72/05/45/556720545.db2.gz DYUBELNMYPLFLG-LJQANCHMSA-N 1 1 432.572 4.164 40 0 IIABMO O=C(NCc1cccc(F)c1)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019293919 556733293 /nfs/dbraw/zinc/73/32/93/556733293.db2.gz IYIWGPWLALJJOW-KRWDZBQOSA-N 1 1 429.442 4.402 40 0 IIABMO O=C(NCc1cccc(F)c1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019293919 556733295 /nfs/dbraw/zinc/73/32/95/556733295.db2.gz IYIWGPWLALJJOW-KRWDZBQOSA-N 1 1 429.442 4.402 40 0 IIABMO O=C(C=Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019368491 556746621 /nfs/dbraw/zinc/74/66/21/556746621.db2.gz LGXBWKCUEZNPJY-ZVQQDINOSA-N 1 1 432.568 4.250 40 0 IIABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000019400513 556753318 /nfs/dbraw/zinc/75/33/18/556753318.db2.gz FTXLTNVPTQTJCI-URZJWIJPSA-N 1 1 431.939 4.123 40 0 IIABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000019400513 556753319 /nfs/dbraw/zinc/75/33/19/556753319.db2.gz FTXLTNVPTQTJCI-URZJWIJPSA-N 1 1 431.939 4.123 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)Cc4ccsc4)[nH]c(=O)c3C2)CC1 ZINC000019496000 556768746 /nfs/dbraw/zinc/76/87/46/556768746.db2.gz WPJMIYFDTPFYII-QYGXFBIXSA-N 1 1 440.613 4.087 40 0 IIABMO CCc1ncc(C[N@H+]2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523312 556780478 /nfs/dbraw/zinc/78/04/78/556780478.db2.gz KCQCSLJCIFBUDQ-MHZLTWQESA-N 1 1 428.580 4.229 40 0 IIABMO CCN1CC[N@@H+](Cc2ccccc2OC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527715 556787489 /nfs/dbraw/zinc/78/74/89/556787489.db2.gz SXPHEIJSNNYTAC-DEOSSOPVSA-N 1 1 429.564 4.280 40 0 IIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccccc2OC)C1 ZINC000019529152 556790589 /nfs/dbraw/zinc/79/05/89/556790589.db2.gz UJIHIXVOCZLHRQ-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO CCOCc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019531159 556791823 /nfs/dbraw/zinc/79/18/23/556791823.db2.gz DALQUVNYYUNSMU-JOCHJYFZSA-N 1 1 434.540 4.104 40 0 IIABMO CCOCc1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019531159 556791826 /nfs/dbraw/zinc/79/18/26/556791826.db2.gz DALQUVNYYUNSMU-JOCHJYFZSA-N 1 1 434.540 4.104 40 0 IIABMO COc1cc(C[N@@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)ccc1OC(F)F ZINC000002638503 556801706 /nfs/dbraw/zinc/80/17/06/556801706.db2.gz MDWWFSJAMFUYHX-OTWHNJEPSA-N 1 1 425.516 4.098 40 0 IIABMO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@@H+](Cc4ccc(F)c(F)c4)[C@@H]3C2)cc1OC ZINC000019560552 556802040 /nfs/dbraw/zinc/80/20/40/556802040.db2.gz AEPQFHHYSZSTEC-SIKLNZKXSA-N 1 1 444.522 4.038 40 0 IIABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)CCc2ccco2)cc1OC ZINC000019561448 556802871 /nfs/dbraw/zinc/80/28/71/556802871.db2.gz JXKSFLHIZPZKKZ-PKTZIBPZSA-N 1 1 434.536 4.014 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(-c5ccoc5C)cc4n3)C2)c1OC ZINC000019583107 556820796 /nfs/dbraw/zinc/82/07/96/556820796.db2.gz OXXZVBIBDGOKOC-QGZVFWFLSA-N 1 1 447.539 4.277 40 0 IIABMO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(Cc2ccncc2)CC1 ZINC000019587747 556824118 /nfs/dbraw/zinc/82/41/18/556824118.db2.gz LYCQLEGBIQIYBV-SIKLNZKXSA-N 1 1 446.517 4.271 40 0 IIABMO C[N@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(Cc2ccncc2)CC1 ZINC000019587747 556824119 /nfs/dbraw/zinc/82/41/19/556824119.db2.gz LYCQLEGBIQIYBV-SIKLNZKXSA-N 1 1 446.517 4.271 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000019591282 556826543 /nfs/dbraw/zinc/82/65/43/556826543.db2.gz OLQFSRRIDRNDHJ-RUZDIDTESA-N 1 1 434.971 4.368 40 0 IIABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000019691920 556847977 /nfs/dbraw/zinc/84/79/77/556847977.db2.gz HZYVYAGSQIIQBY-VWLOTQADSA-N 1 1 432.568 4.305 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000019691920 556847980 /nfs/dbraw/zinc/84/79/80/556847980.db2.gz HZYVYAGSQIIQBY-VWLOTQADSA-N 1 1 432.568 4.305 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695719 556852425 /nfs/dbraw/zinc/85/24/25/556852425.db2.gz UNIFSOZCYLFWNR-OAQYLSRUSA-N 1 1 445.542 4.178 40 0 IIABMO CN(Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)C)n1)CC(c1ccccc1)c1ccccc1 ZINC000019710048 556871893 /nfs/dbraw/zinc/87/18/93/556871893.db2.gz LVZIGMQAFQWRCB-QHCPKHFHSA-N 1 1 429.612 4.274 40 0 IIABMO CC(C)CNC(=O)c1cc([C@H]2CC[N@@H+](Cc3cccnc3N(C)C)C2)nc2ccccc21 ZINC000019761840 556905572 /nfs/dbraw/zinc/90/55/72/556905572.db2.gz DAFFFHJXRKHREF-IBGZPJMESA-N 1 1 431.584 4.071 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330464 556905715 /nfs/dbraw/zinc/90/57/15/556905715.db2.gz KPSGNWCGUSETNL-HOFKKMOUSA-N 1 1 429.564 4.402 40 0 IIABMO CCn1cc(C[N@H+]2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)c2cc(OC)ccc21 ZINC000019761970 556905981 /nfs/dbraw/zinc/90/59/81/556905981.db2.gz JLGXFCNUXIUHJO-QGZVFWFLSA-N 1 1 428.536 4.306 40 0 IIABMO CN(C(=O)C[N@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)C1CCCCC1 ZINC000072371245 556938063 /nfs/dbraw/zinc/93/80/63/556938063.db2.gz DETGXKDLFNLRTH-SFHVURJKSA-N 1 1 445.007 4.265 40 0 IIABMO CN(C(=O)C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)C1CCCCC1 ZINC000072371245 556938065 /nfs/dbraw/zinc/93/80/65/556938065.db2.gz DETGXKDLFNLRTH-SFHVURJKSA-N 1 1 445.007 4.265 40 0 IIABMO CN(C(=O)C[N@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)C1CCCCC1 ZINC000072371245 556938068 /nfs/dbraw/zinc/93/80/68/556938068.db2.gz DETGXKDLFNLRTH-SFHVURJKSA-N 1 1 445.007 4.265 40 0 IIABMO CCn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371662 556940141 /nfs/dbraw/zinc/94/01/41/556940141.db2.gz KFTQCSVHKXLDCI-QGZVFWFLSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371662 556940144 /nfs/dbraw/zinc/94/01/44/556940144.db2.gz KFTQCSVHKXLDCI-QGZVFWFLSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371662 556940146 /nfs/dbraw/zinc/94/01/46/556940146.db2.gz KFTQCSVHKXLDCI-QGZVFWFLSA-N 1 1 433.478 4.256 40 0 IIABMO CC(C)[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372251 556941858 /nfs/dbraw/zinc/94/18/58/556941858.db2.gz UQYKJLLOVQANEQ-DEOSSOPVSA-N 1 1 435.612 4.325 40 0 IIABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2S(=O)(=O)CCCc2ccccc2)[nH+]1 ZINC000072372727 556944023 /nfs/dbraw/zinc/94/40/23/556944023.db2.gz AWJANBJYWXCCBH-JOCHJYFZSA-N 1 1 437.569 4.023 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375863 556953303 /nfs/dbraw/zinc/95/33/03/556953303.db2.gz GSHCYROSXKDTNQ-HXUWFJFHSA-N 1 1 437.569 4.086 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375863 556953308 /nfs/dbraw/zinc/95/33/08/556953308.db2.gz GSHCYROSXKDTNQ-HXUWFJFHSA-N 1 1 437.569 4.086 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395959 556968292 /nfs/dbraw/zinc/96/82/92/556968292.db2.gz AYUDPSPPJMMXEP-AREMUKBSSA-N 1 1 433.552 4.263 40 0 IIABMO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1ccccc1 ZINC000585110043 557042513 /nfs/dbraw/zinc/04/25/13/557042513.db2.gz ARCIQXTWSFRTPU-ZEQRLZLVSA-N 1 1 425.532 4.110 40 0 IIABMO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1cccc(F)c1 ZINC000585110097 557042516 /nfs/dbraw/zinc/04/25/16/557042516.db2.gz INELSHITHAPPNF-RPWUZVMVSA-N 1 1 443.522 4.249 40 0 IIABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000085881194 557104240 /nfs/dbraw/zinc/10/42/40/557104240.db2.gz WUJSHHWRLPGLCB-OYLFLEFRSA-N 1 1 427.545 4.192 40 0 IIABMO CC(C)CC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096145864 557175788 /nfs/dbraw/zinc/17/57/88/557175788.db2.gz ZEWCROUWWZFNRU-VXKWHMMOSA-N 1 1 428.598 4.149 40 0 IIABMO COc1cc(C)ccc1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000585261479 557195181 /nfs/dbraw/zinc/19/51/81/557195181.db2.gz DCODMOXFCAEXJX-AEFYUXCLSA-N 1 1 448.607 4.467 40 0 IIABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000585261965 557198026 /nfs/dbraw/zinc/19/80/26/557198026.db2.gz VCXVIJFLNXVGBW-AREMUKBSSA-N 1 1 433.527 4.080 40 0 IIABMO COc1ccc(NC(=O)C[NH+]2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cc1 ZINC000585262603 557202634 /nfs/dbraw/zinc/20/26/34/557202634.db2.gz HROZXKCEERFGJY-UHFFFAOYSA-N 1 1 437.569 4.417 40 0 IIABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585263201 557203669 /nfs/dbraw/zinc/20/36/69/557203669.db2.gz KUXDIRZOKPTSJB-LUKWVAJMSA-N 1 1 444.547 4.122 40 0 IIABMO CCOc1ccc([C@@H](c2nnnn2C(C)(C)CC)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928790 557271998 /nfs/dbraw/zinc/27/19/98/557271998.db2.gz BAPKYGCKLHBBHO-DEOSSOPVSA-N 1 1 448.615 4.124 40 0 IIABMO CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222602007 557359729 /nfs/dbraw/zinc/35/97/29/557359729.db2.gz AIERIGHJYTTYDN-KRWDZBQOSA-N 1 1 428.533 4.198 40 0 IIABMO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225269820 557707531 /nfs/dbraw/zinc/70/75/31/557707531.db2.gz JXIYBQKPKSCQRM-QGZVFWFLSA-N 1 1 435.351 4.162 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000225458777 557725077 /nfs/dbraw/zinc/72/50/77/557725077.db2.gz QBMODHIWVVQURQ-UHFFFAOYSA-N 1 1 433.581 4.293 40 0 IIABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3)CCCC2)cc1 ZINC000225531966 557737629 /nfs/dbraw/zinc/73/76/29/557737629.db2.gz WZSHZWDWDQVBMP-UHFFFAOYSA-N 1 1 438.568 4.247 40 0 IIABMO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)n2)cc1 ZINC000225589740 557748379 /nfs/dbraw/zinc/74/83/79/557748379.db2.gz PSZVAHJMOFTNFV-UHFFFAOYSA-N 1 1 442.922 4.366 40 0 IIABMO O=C(Nc1cccc(N2CCCC2=O)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588613 557748411 /nfs/dbraw/zinc/74/84/11/557748411.db2.gz RXAOMVKXYJJWMG-UHFFFAOYSA-N 1 1 429.923 4.457 40 0 IIABMO CCOC(=O)c1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000225743818 557771730 /nfs/dbraw/zinc/77/17/30/557771730.db2.gz VGGBTZGWAOAMBC-UHFFFAOYSA-N 1 1 431.989 4.252 40 0 IIABMO Cc1nc2ccccc2n1CCCC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000257208676 568669139 /nfs/dbraw/zinc/66/91/39/568669139.db2.gz BNDSRMALSFVXLB-HSZRJFAPSA-N 1 1 428.540 4.378 40 0 IIABMO C[N@@H+](CCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257211421 568670390 /nfs/dbraw/zinc/67/03/90/568670390.db2.gz BYUJEJMYGSUNDZ-QFIPXVFZSA-N 1 1 435.959 4.378 40 0 IIABMO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000257219571 568674031 /nfs/dbraw/zinc/67/40/31/568674031.db2.gz DHGWBJFWTRYTMB-DQEYMECFSA-N 1 1 434.511 4.210 40 0 IIABMO COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CC[N@@H+](C[C@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233309 568680686 /nfs/dbraw/zinc/68/06/86/568680686.db2.gz GOROOYLGGDRCNH-JTHBVZDNSA-N 1 1 448.611 4.107 40 0 IIABMO Cc1cc(Nc2ccc(F)cn2)nc(C2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)n1 ZINC000257244500 568685812 /nfs/dbraw/zinc/68/58/12/568685812.db2.gz ILPMDWDLGSBMIE-UHFFFAOYSA-N 1 1 448.546 4.498 40 0 IIABMO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc1C ZINC000257272439 568698968 /nfs/dbraw/zinc/69/89/68/568698968.db2.gz NCKWZLBCWBHGJH-GOSISDBHSA-N 1 1 432.971 4.286 40 0 IIABMO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc1C ZINC000257272439 568698970 /nfs/dbraw/zinc/69/89/70/568698970.db2.gz NCKWZLBCWBHGJH-GOSISDBHSA-N 1 1 432.971 4.286 40 0 IIABMO Cc1[nH+]ccn1CCCC(=O)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257281756 568702892 /nfs/dbraw/zinc/70/28/92/568702892.db2.gz OQVYDFAEXGGAEW-QHCPKHFHSA-N 1 1 438.959 4.211 40 0 IIABMO COCCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)c2ccccc21 ZINC000257294495 568708567 /nfs/dbraw/zinc/70/85/67/568708567.db2.gz QUKYJBFSZBOQHN-RUZDIDTESA-N 1 1 443.551 4.395 40 0 IIABMO COCCn1cc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)c2ccccc21 ZINC000257294495 568708571 /nfs/dbraw/zinc/70/85/71/568708571.db2.gz QUKYJBFSZBOQHN-RUZDIDTESA-N 1 1 443.551 4.395 40 0 IIABMO COc1ccc2c(C[N@@H+]3CCO[C@H](c4cccc(Nc5ccc(F)cn5)n4)C3)cn(C)c2c1 ZINC000257325706 568722576 /nfs/dbraw/zinc/72/25/76/568722576.db2.gz WUCCTBBECBPLOV-QHCPKHFHSA-N 1 1 447.514 4.433 40 0 IIABMO COc1ccc2c(C[N@H+]3CCO[C@H](c4cccc(Nc5ccc(F)cn5)n4)C3)cn(C)c2c1 ZINC000257325706 568722577 /nfs/dbraw/zinc/72/25/77/568722577.db2.gz WUCCTBBECBPLOV-QHCPKHFHSA-N 1 1 447.514 4.433 40 0 IIABMO Cc1cc(C(F)F)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257340031 568728464 /nfs/dbraw/zinc/72/84/64/568728464.db2.gz ZEFJHXRYWPKICP-HKXKVELOSA-N 1 1 442.554 4.214 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306130526 568766227 /nfs/dbraw/zinc/76/62/27/568766227.db2.gz JIXJFMVXUNTGMK-AOYPEHQESA-N 1 1 447.966 4.132 40 0 IIABMO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccccc1F)CC21CCN(c2ncccn2)CC1 ZINC000306138006 568770459 /nfs/dbraw/zinc/77/04/59/568770459.db2.gz RMKZOIVDQCKQAW-UHFFFAOYSA-N 1 1 434.563 4.256 40 0 IIABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccccc1F)CC21CCN(c2ncccn2)CC1 ZINC000306138006 568770461 /nfs/dbraw/zinc/77/04/61/568770461.db2.gz RMKZOIVDQCKQAW-UHFFFAOYSA-N 1 1 434.563 4.256 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138022 568770486 /nfs/dbraw/zinc/77/04/86/568770486.db2.gz RMZPFTMMHLZUFD-IGKIAQTJSA-N 1 1 443.595 4.186 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2ccoc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306139586 568771362 /nfs/dbraw/zinc/77/13/62/568771362.db2.gz TVLPUSWLCOKNNN-JYFHCDHNSA-N 1 1 432.568 4.465 40 0 IIABMO COCCn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)ccc21 ZINC000257198979 568921602 /nfs/dbraw/zinc/92/16/02/568921602.db2.gz NXJGYADPPJAYQP-CONSUNNSSA-N 1 1 433.596 4.323 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198481 568921692 /nfs/dbraw/zinc/92/16/92/568921692.db2.gz AGZMFWWASXUXNB-IMBWNBOCSA-N 1 1 444.579 4.047 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198481 568921693 /nfs/dbraw/zinc/92/16/93/568921693.db2.gz AGZMFWWASXUXNB-IMBWNBOCSA-N 1 1 444.579 4.047 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198481 568921694 /nfs/dbraw/zinc/92/16/94/568921694.db2.gz AGZMFWWASXUXNB-IMBWNBOCSA-N 1 1 444.579 4.047 40 0 IIABMO COc1ccc2c(ccn2CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c1 ZINC000257198758 568921741 /nfs/dbraw/zinc/92/17/41/568921741.db2.gz HYOQKVKXBAYWJG-FVJFVQOASA-N 1 1 433.596 4.462 40 0 IIABMO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198807 568921755 /nfs/dbraw/zinc/92/17/55/568921755.db2.gz IXXDWTWTRRMKFM-QEUIGEMPSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198807 568921756 /nfs/dbraw/zinc/92/17/56/568921756.db2.gz IXXDWTWTRRMKFM-QEUIGEMPSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198807 568921757 /nfs/dbraw/zinc/92/17/57/568921757.db2.gz IXXDWTWTRRMKFM-QEUIGEMPSA-N 1 1 428.580 4.211 40 0 IIABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000247998980 569206780 /nfs/dbraw/zinc/20/67/80/569206780.db2.gz NDQNERDUFDHKSZ-OARDWFSCSA-N 1 1 447.623 4.089 40 0 IIABMO C[C@@H](CC[N@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000248247508 569207580 /nfs/dbraw/zinc/20/75/80/569207580.db2.gz QYXYSPJQLRYFRP-KDYSTLNUSA-N 1 1 428.580 4.447 40 0 IIABMO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019739236 569236647 /nfs/dbraw/zinc/23/66/47/569236647.db2.gz ZQDQQLRQIKMJSW-VWLOTQADSA-N 1 1 425.573 4.300 40 0 IIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)cc1 ZINC000019765155 569238789 /nfs/dbraw/zinc/23/87/89/569238789.db2.gz QYIFOOQLKQTABV-NRFANRHFSA-N 1 1 443.551 4.375 40 0 IIABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000019692666 569326496 /nfs/dbraw/zinc/32/64/96/569326496.db2.gz TXGYLNIWDVHEHN-DEOSSOPVSA-N 1 1 443.526 4.470 40 0 IIABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000019692666 569326497 /nfs/dbraw/zinc/32/64/97/569326497.db2.gz TXGYLNIWDVHEHN-DEOSSOPVSA-N 1 1 443.526 4.470 40 0 IIABMO CNc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000019760049 569328662 /nfs/dbraw/zinc/32/86/62/569328662.db2.gz CWQUCRSREWNMKU-JOCHJYFZSA-N 1 1 429.568 4.076 40 0 IIABMO CNc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000019760049 569328664 /nfs/dbraw/zinc/32/86/64/569328664.db2.gz CWQUCRSREWNMKU-JOCHJYFZSA-N 1 1 429.568 4.076 40 0 IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000036734789 523809926 /nfs/dbraw/zinc/80/99/26/523809926.db2.gz UIALLSRHFRDELP-AVRDEDQJSA-N 1 1 436.581 4.238 40 0 IIABMO C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)C1 ZINC000012239970 524221659 /nfs/dbraw/zinc/22/16/59/524221659.db2.gz IIXUJCPODISQKX-MRXNPFEDSA-N 1 1 438.597 4.170 40 0 IIABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)C1 ZINC000012239970 524221665 /nfs/dbraw/zinc/22/16/65/524221665.db2.gz IIXUJCPODISQKX-MRXNPFEDSA-N 1 1 438.597 4.170 40 0 IIABMO O=C(c1ccc(N2CCCC2=O)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004160 526699582 /nfs/dbraw/zinc/69/95/82/526699582.db2.gz XTVJIDSHSVBFRQ-UHFFFAOYSA-N 1 1 439.559 4.361 40 0 IIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1 ZINC000012088040 556401019 /nfs/dbraw/zinc/40/10/19/556401019.db2.gz YTUGZVYHFGGCNQ-QFIPXVFZSA-N 1 1 425.536 4.390 40 0 IIABMO CC[C@@H]1[C@@H]([NH+]2CCCC2)Oc2cc3c(cc2[C@@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000031860841 556527154 /nfs/dbraw/zinc/52/71/54/556527154.db2.gz ICBSBTSRZHYVGZ-VVHBXYOFSA-N 1 1 441.524 4.414 40 0 IIABMO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834837 556622842 /nfs/dbraw/zinc/62/28/42/556622842.db2.gz QTOSMBKLRGTBKQ-HNNXBMFYSA-N 1 1 438.284 4.281 40 0 IIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 ZINC000016681584 556624105 /nfs/dbraw/zinc/62/41/05/556624105.db2.gz DBKVYVOZVLDAJA-UHFFFAOYSA-N 1 1 437.396 4.262 40 0 IIABMO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044920070 556682208 /nfs/dbraw/zinc/68/22/08/556682208.db2.gz NPMLELDXHJWJGV-UHFFFAOYSA-N 1 1 431.374 4.376 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CN(Cc3ccccc3)C(=O)O2)C1)N(c1ccccc1)c1ccccc1 ZINC000257327325 556705155 /nfs/dbraw/zinc/70/51/55/556705155.db2.gz XAYICRCPLIABAC-MHZLTWQESA-N 1 1 441.531 4.448 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CN(Cc3ccccc3)C(=O)O2)C1)N(c1ccccc1)c1ccccc1 ZINC000257327325 556705156 /nfs/dbraw/zinc/70/51/56/556705156.db2.gz XAYICRCPLIABAC-MHZLTWQESA-N 1 1 441.531 4.448 40 0 IIABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@H](O)COc3ccc(C)cc3C)cc2)n1 ZINC000257243249 556710733 /nfs/dbraw/zinc/71/07/33/556710733.db2.gz IGBCMLVOVQYHDB-DEOSSOPVSA-N 1 1 437.584 4.067 40 0 IIABMO Fc1ccccc1OCCc1cc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)[nH]n1 ZINC000257279362 556714597 /nfs/dbraw/zinc/71/45/97/556714597.db2.gz OGGDNYJJJVIASL-VWLOTQADSA-N 1 1 432.499 4.292 40 0 IIABMO Fc1ccccc1OCCc1cc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)[nH]n1 ZINC000257279362 556714599 /nfs/dbraw/zinc/71/45/99/556714599.db2.gz OGGDNYJJJVIASL-VWLOTQADSA-N 1 1 432.499 4.292 40 0 IIABMO Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)cc2c1 ZINC000019221142 556715373 /nfs/dbraw/zinc/71/53/73/556715373.db2.gz GIRGQYVMWNXUES-QHCPKHFHSA-N 1 1 445.567 4.091 40 0 IIABMO Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)c1 ZINC000019234424 556718478 /nfs/dbraw/zinc/71/84/78/556718478.db2.gz SZLZEYSEEMKUDA-JOCHJYFZSA-N 1 1 448.592 4.066 40 0 IIABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5C)cc4)C[C@H]32)c(OC)n1 ZINC000019237436 556722153 /nfs/dbraw/zinc/72/21/53/556722153.db2.gz ZXFVLFLCZXCRIM-YEEURNOCSA-N 1 1 445.563 4.199 40 0 IIABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019290178 556730029 /nfs/dbraw/zinc/73/00/29/556730029.db2.gz LUWJCFQVOLFEBC-SFHVURJKSA-N 1 1 438.526 4.135 40 0 IIABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000019290166 556730166 /nfs/dbraw/zinc/73/01/66/556730166.db2.gz FXSPLGUARXLNGI-GOSISDBHSA-N 1 1 438.526 4.135 40 0 IIABMO O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019293557 556733167 /nfs/dbraw/zinc/73/31/67/556733167.db2.gz SAYQDOLDFAOJKE-QFIPXVFZSA-N 1 1 438.547 4.380 40 0 IIABMO NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000019348341 556743693 /nfs/dbraw/zinc/74/36/93/556743693.db2.gz XCKUKWZWCWOVRZ-XMMPIXPASA-N 1 1 438.934 4.246 40 0 IIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccccn2)N1 ZINC000019349456 556744489 /nfs/dbraw/zinc/74/44/89/556744489.db2.gz KBDSMBDAVYCWRS-WNCULLNHSA-N 1 1 442.563 4.084 40 0 IIABMO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019447326 556756446 /nfs/dbraw/zinc/75/64/46/556756446.db2.gz KIPVMYZGOJSBEE-HHHXNRCGSA-N 1 1 428.580 4.351 40 0 IIABMO CC(C)Oc1cccc(C[N@H+]2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019450812 556761617 /nfs/dbraw/zinc/76/16/17/556761617.db2.gz YFXKUWYUJWKSRR-MHZLTWQESA-N 1 1 429.564 4.456 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)c4cccs4)[nH]c(=O)c3C2)CC1 ZINC000019496008 556768800 /nfs/dbraw/zinc/76/88/00/556768800.db2.gz VRJOPKXRWFBMKL-LADRWXRNSA-N 1 1 426.586 4.158 40 0 IIABMO CCCCc1ncc(C[N@@H+](C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cn1 ZINC000019502365 556773318 /nfs/dbraw/zinc/77/33/18/556773318.db2.gz WUMPSEWHTXYULA-UHFFFAOYSA-N 1 1 436.600 4.374 40 0 IIABMO CCc1ncc(C[N@@H+]2CCC[C@@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)cn1 ZINC000019523405 556780718 /nfs/dbraw/zinc/78/07/18/556780718.db2.gz OCTJHSMAOOQGQC-QGZVFWFLSA-N 1 1 430.474 4.346 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)cn1 ZINC000019523405 556780720 /nfs/dbraw/zinc/78/07/20/556780720.db2.gz OCTJHSMAOOQGQC-QGZVFWFLSA-N 1 1 430.474 4.346 40 0 IIABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000019523325 556780856 /nfs/dbraw/zinc/78/08/56/556780856.db2.gz NVFABMTYTDHDNR-VWLOTQADSA-N 1 1 434.609 4.338 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001353333 556781482 /nfs/dbraw/zinc/78/14/82/556781482.db2.gz OWEGFGSWWQMUBW-QFIPXVFZSA-N 1 1 436.531 4.494 40 0 IIABMO CCN1CC[N@@H+](Cc2ccc(OC)cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527708 556787032 /nfs/dbraw/zinc/78/70/32/556787032.db2.gz YHDKGBWEJRLGHW-XMMPIXPASA-N 1 1 429.564 4.280 40 0 IIABMO CCOCc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019531155 556791756 /nfs/dbraw/zinc/79/17/56/556791756.db2.gz QDRKEIAGVVNACZ-JOCHJYFZSA-N 1 1 434.540 4.104 40 0 IIABMO CCOCc1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019531155 556791758 /nfs/dbraw/zinc/79/17/58/556791758.db2.gz QDRKEIAGVVNACZ-JOCHJYFZSA-N 1 1 434.540 4.104 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019533800 556793560 /nfs/dbraw/zinc/79/35/60/556793560.db2.gz OFJQSVCJCGQEHM-NRFANRHFSA-N 1 1 447.583 4.392 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001378308 556795262 /nfs/dbraw/zinc/79/52/62/556795262.db2.gz FCLWJWQHEJIHNM-JOCHJYFZSA-N 1 1 436.531 4.494 40 0 IIABMO Cc1c(C[N@@H+]2CCC[C@@](Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C ZINC000019553614 556797314 /nfs/dbraw/zinc/79/73/14/556797314.db2.gz BCLDOEDWNZBNQU-MHZLTWQESA-N 1 1 448.586 4.448 40 0 IIABMO COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@@H]23)cc1 ZINC000019557333 556799682 /nfs/dbraw/zinc/79/96/82/556799682.db2.gz GIWIWWCKCQPMFV-FUDKSRODSA-N 1 1 426.507 4.200 40 0 IIABMO COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000019557770 556799742 /nfs/dbraw/zinc/79/97/42/556799742.db2.gz ZNEJXYKVPREJQT-TWJOJJKGSA-N 1 1 427.548 4.221 40 0 IIABMO O=C(CSCc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000060824831 556808755 /nfs/dbraw/zinc/80/87/55/556808755.db2.gz QRPJFQNRUAHQMM-UHFFFAOYSA-N 1 1 439.408 4.375 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591316 556826525 /nfs/dbraw/zinc/82/65/25/556826525.db2.gz QHVLJZOLQGTWFR-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000019694839 556851028 /nfs/dbraw/zinc/85/10/28/556851028.db2.gz NYYLBVUWZMQCLL-FQEVSTJZSA-N 1 1 433.556 4.349 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000019694839 556851032 /nfs/dbraw/zinc/85/10/32/556851032.db2.gz NYYLBVUWZMQCLL-FQEVSTJZSA-N 1 1 433.556 4.349 40 0 IIABMO CN(C)c1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)CC2CCCCC2)n1 ZINC000019701020 556860943 /nfs/dbraw/zinc/86/09/43/556860943.db2.gz XTJAEXFOJRUAPN-LJQANCHMSA-N 1 1 439.579 4.214 40 0 IIABMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1 ZINC000019705867 556863230 /nfs/dbraw/zinc/86/32/30/556863230.db2.gz ZYZSFMRFXICEDK-KRWDZBQOSA-N 1 1 449.530 4.335 40 0 IIABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@@H+]2Cc2c(C)cc(OC)c(C)c2C)n1 ZINC000019709757 556871188 /nfs/dbraw/zinc/87/11/88/556871188.db2.gz UPIPBJJCATXBSM-QFIPXVFZSA-N 1 1 439.604 4.158 40 0 IIABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@H+]2Cc2c(C)cc(OC)c(C)c2C)n1 ZINC000019709757 556871191 /nfs/dbraw/zinc/87/11/91/556871191.db2.gz UPIPBJJCATXBSM-QFIPXVFZSA-N 1 1 439.604 4.158 40 0 IIABMO Cc1cc(N2CC[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019761340 556904826 /nfs/dbraw/zinc/90/48/26/556904826.db2.gz HJGPXPHNQJLRSM-INIZCTEOSA-N 1 1 430.537 4.344 40 0 IIABMO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000072335308 556908187 /nfs/dbraw/zinc/90/81/87/556908187.db2.gz WSYMNBBJHPQMAU-ZVDOUQERSA-N 1 1 432.568 4.117 40 0 IIABMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340878 556912901 /nfs/dbraw/zinc/91/29/01/556912901.db2.gz PYAOHIZCGSZWLI-QGZVFWFLSA-N 1 1 432.446 4.361 40 0 IIABMO CCc1ncc(C[N@@H+]2CC[C@@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)cn1 ZINC000072351971 556922802 /nfs/dbraw/zinc/92/28/02/556922802.db2.gz OFDZOHVUGCVZSF-QGZVFWFLSA-N 1 1 436.947 4.033 40 0 IIABMO CCc1ncc(C[N@H+]2CC[C@@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)cn1 ZINC000072351971 556922807 /nfs/dbraw/zinc/92/28/07/556922807.db2.gz OFDZOHVUGCVZSF-QGZVFWFLSA-N 1 1 436.947 4.033 40 0 IIABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000072352379 556924260 /nfs/dbraw/zinc/92/42/60/556924260.db2.gz RPAMINGOSOGQAM-SFHVURJKSA-N 1 1 433.577 4.030 40 0 IIABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000072352379 556924261 /nfs/dbraw/zinc/92/42/61/556924261.db2.gz RPAMINGOSOGQAM-SFHVURJKSA-N 1 1 433.577 4.030 40 0 IIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)c2)cn1 ZINC000072353599 556927361 /nfs/dbraw/zinc/92/73/61/556927361.db2.gz USDOZQYCZSXUPX-OAQYLSRUSA-N 1 1 430.552 4.200 40 0 IIABMO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 ZINC000072358524 556931707 /nfs/dbraw/zinc/93/17/07/556931707.db2.gz LMZQBAFJJGIFJO-SFHVURJKSA-N 1 1 432.490 4.354 40 0 IIABMO CC1CCN(c2ncc(C[N@H+]3CCC[C@H]3Cc3c4ccccc4sc3C(N)=O)cn2)CC1 ZINC000072370322 556934460 /nfs/dbraw/zinc/93/44/60/556934460.db2.gz OJPPYOYGAOXBRW-IBGZPJMESA-N 1 1 449.624 4.234 40 0 IIABMO CN(C(=O)C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)C1CCCCC1 ZINC000072371246 556937840 /nfs/dbraw/zinc/93/78/40/556937840.db2.gz DETGXKDLFNLRTH-GOSISDBHSA-N 1 1 445.007 4.265 40 0 IIABMO CN(C(=O)C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)C1CCCCC1 ZINC000072371246 556937844 /nfs/dbraw/zinc/93/78/44/556937844.db2.gz DETGXKDLFNLRTH-GOSISDBHSA-N 1 1 445.007 4.265 40 0 IIABMO CN(C(=O)C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)C1CCCCC1 ZINC000072371246 556937848 /nfs/dbraw/zinc/93/78/48/556937848.db2.gz DETGXKDLFNLRTH-GOSISDBHSA-N 1 1 445.007 4.265 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072375948 556953528 /nfs/dbraw/zinc/95/35/28/556953528.db2.gz SFGACPALUQASNL-IBGZPJMESA-N 1 1 431.540 4.355 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072375948 556953532 /nfs/dbraw/zinc/95/35/32/556953532.db2.gz SFGACPALUQASNL-IBGZPJMESA-N 1 1 431.540 4.355 40 0 IIABMO CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccncc1 ZINC000072380043 556957287 /nfs/dbraw/zinc/95/72/87/556957287.db2.gz YPTGQLNHZIVRTI-FQEVSTJZSA-N 1 1 437.609 4.348 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000020035177 556970029 /nfs/dbraw/zinc/97/00/29/556970029.db2.gz PEVYJRZRZVMNEV-UHFFFAOYSA-N 1 1 434.721 4.292 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000020038235 556970884 /nfs/dbraw/zinc/97/08/84/556970884.db2.gz KXXFYSZIMFYQGS-UHFFFAOYSA-N 1 1 430.371 4.493 40 0 IIABMO C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104157 557036896 /nfs/dbraw/zinc/03/68/96/557036896.db2.gz JODOVSBUUKNLRL-UQBPGWFLSA-N 1 1 448.592 4.017 40 0 IIABMO COc1ccc(-c2ccc3c(c2)onc3-c2ncc(C(=O)N3CCC[N@H+](C)CC3)s2)cc1 ZINC000096154648 557178822 /nfs/dbraw/zinc/17/88/22/557178822.db2.gz XDANGEZNMRIXQO-UHFFFAOYSA-N 1 1 448.548 4.405 40 0 IIABMO COc1ccc(-c2ccc3c(c2)onc3-c2ncc(C(=O)N3CCC[N@@H+](C)CC3)s2)cc1 ZINC000096154648 557178826 /nfs/dbraw/zinc/17/88/26/557178826.db2.gz XDANGEZNMRIXQO-UHFFFAOYSA-N 1 1 448.548 4.405 40 0 IIABMO c1[nH]nc2cccc(C[C@H]3COCC[N@H+](Cc4cccc(OCc5ccccn5)c4)C3)c12 ZINC000585261951 557198049 /nfs/dbraw/zinc/19/80/49/557198049.db2.gz KKWQRKTZRAJPJH-OAQYLSRUSA-N 1 1 428.536 4.228 40 0 IIABMO Cc1cc(C)n(CCOc2ccc(C[N@H+]3C[C@H](O)[C@@H](Oc4cc(C)c(C)c(C)c4)C3)cc2)n1 ZINC000585268721 557208639 /nfs/dbraw/zinc/20/86/39/557208639.db2.gz QHFZHQCAZUZLSS-SVBPBHIXSA-N 1 1 449.595 4.128 40 0 IIABMO Cc1nccn1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cc(C)cc(C(C)C)c3)C2)cc1 ZINC000585268844 557210386 /nfs/dbraw/zinc/21/03/86/557210386.db2.gz UXMKZBAOMQPRFC-SVBPBHIXSA-N 1 1 449.595 4.326 40 0 IIABMO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000025540852 557213711 /nfs/dbraw/zinc/21/37/11/557213711.db2.gz LRLXUQCQYHLPOQ-FKIJXQQXSA-N 1 1 427.497 4.023 40 0 IIABMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100155332 557244025 /nfs/dbraw/zinc/24/40/25/557244025.db2.gz WHBYBBACYOMMMZ-IBGZPJMESA-N 1 1 443.334 4.381 40 0 IIABMO CN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000219423586 557244295 /nfs/dbraw/zinc/24/42/95/557244295.db2.gz ADLVBMBFACEAPQ-UHFFFAOYSA-N 1 1 448.951 4.461 40 0 IIABMO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)n2)cc1 ZINC000219423270 557244353 /nfs/dbraw/zinc/24/43/53/557244353.db2.gz JDEQBADGNAYPEB-UHFFFAOYSA-N 1 1 442.922 4.366 40 0 IIABMO O=C(CCCc1nc(-c2ccco2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000604405220 557248657 /nfs/dbraw/zinc/24/86/57/557248657.db2.gz NKJPQLRPJHOJNG-UECWXEIQSA-N 1 1 436.556 4.074 40 0 IIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501150 557324759 /nfs/dbraw/zinc/32/47/59/557324759.db2.gz ABDOZRVAWRGQJW-HSZRJFAPSA-N 1 1 446.555 4.360 40 0 IIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501150 557324761 /nfs/dbraw/zinc/32/47/61/557324761.db2.gz ABDOZRVAWRGQJW-HSZRJFAPSA-N 1 1 446.555 4.360 40 0 IIABMO CCOc1ccc(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1C ZINC000222997568 557413659 /nfs/dbraw/zinc/41/36/59/557413659.db2.gz VJGRPVSMKWMLLN-UHFFFAOYSA-N 1 1 433.961 4.376 40 0 IIABMO O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000040373155 557414541 /nfs/dbraw/zinc/41/45/41/557414541.db2.gz PGKFQFVOGGTPJW-HHHXNRCGSA-N 1 1 430.592 4.014 40 0 IIABMO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000224541191 557618835 /nfs/dbraw/zinc/61/88/35/557618835.db2.gz VOPBAGLNJSJZAT-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000224547892 557620619 /nfs/dbraw/zinc/62/06/19/557620619.db2.gz PXALFBRVBICDFB-UHFFFAOYSA-N 1 1 445.401 4.473 40 0 IIABMO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225269740 557707533 /nfs/dbraw/zinc/70/75/33/557707533.db2.gz VSAARENOZODHHA-MRXNPFEDSA-N 1 1 435.351 4.162 40 0 IIABMO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000225589129 557748445 /nfs/dbraw/zinc/74/84/45/557748445.db2.gz AMGLPKCDQZLXEA-UHFFFAOYSA-N 1 1 425.436 4.453 40 0 IIABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC000257202136 568666002 /nfs/dbraw/zinc/66/60/02/568666002.db2.gz AKQFAALKVUYOJB-LPPUWEFUSA-N 1 1 448.567 4.187 40 0 IIABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC000257202136 568666008 /nfs/dbraw/zinc/66/60/08/568666008.db2.gz AKQFAALKVUYOJB-LPPUWEFUSA-N 1 1 448.567 4.187 40 0 IIABMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000257207756 568668410 /nfs/dbraw/zinc/66/84/10/568668410.db2.gz BJCHEVLTMBCNCP-JOCHJYFZSA-N 1 1 425.479 4.339 40 0 IIABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000257207756 568668412 /nfs/dbraw/zinc/66/84/12/568668412.db2.gz BJCHEVLTMBCNCP-JOCHJYFZSA-N 1 1 425.479 4.339 40 0 IIABMO COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1Cn1cc[nH+]c1C ZINC000257230742 568679340 /nfs/dbraw/zinc/67/93/40/568679340.db2.gz GDSAJEJLQGHMBM-IRAZMCGKSA-N 1 1 437.584 4.267 40 0 IIABMO Cc1ccccc1C[N@H+]1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)(C)C)c(C)n3n2)C1 ZINC000257247942 568687593 /nfs/dbraw/zinc/68/75/93/568687593.db2.gz JBFTZRCIZKAZLA-QFIPXVFZSA-N 1 1 447.627 4.491 40 0 IIABMO COCCc1ncc(CN2CCC(c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)CC2)cn1 ZINC000257253412 568690120 /nfs/dbraw/zinc/69/01/20/568690120.db2.gz JYWDSKPZQMBAAB-UHFFFAOYSA-N 1 1 436.535 4.026 40 0 IIABMO CC(C)(C)C(=O)N1CCC([C@@]2(c3nccs3)C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000257261515 568693748 /nfs/dbraw/zinc/69/37/48/568693748.db2.gz LHRRBQQOLWQNLV-XMMPIXPASA-N 1 1 427.614 4.156 40 0 IIABMO CC(C)(C)C(=O)N1CCC([C@@]2(c3nccs3)C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000257261515 568693749 /nfs/dbraw/zinc/69/37/49/568693749.db2.gz LHRRBQQOLWQNLV-XMMPIXPASA-N 1 1 427.614 4.156 40 0 IIABMO COc1ccc(CNc2cc(-c3cn[nH]c3[C@H]3CCN(C(C)=O)C3)ccn2)cc1OC(C)C ZINC000257310728 568715682 /nfs/dbraw/zinc/71/56/82/568715682.db2.gz UGHDRUXQEQPXQB-FQEVSTJZSA-N 1 1 449.555 4.215 40 0 IIABMO COc1ccc(CNc2cc(-c3cn[nH]c3[C@@H]3CCN(C(C)=O)C3)ccn2)cc1OC(C)C ZINC000257310729 568715740 /nfs/dbraw/zinc/71/57/40/568715740.db2.gz UGHDRUXQEQPXQB-HXUWFJFHSA-N 1 1 449.555 4.215 40 0 IIABMO Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)c2)sc1C ZINC000257321141 568720400 /nfs/dbraw/zinc/72/04/00/568720400.db2.gz WAFNQSRSKGZPEK-NRFANRHFSA-N 1 1 440.544 4.489 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257330690 568724637 /nfs/dbraw/zinc/72/46/37/568724637.db2.gz XPMURHJKHFMIBP-JOCHJYFZSA-N 1 1 436.600 4.037 40 0 IIABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257340900 568728834 /nfs/dbraw/zinc/72/88/34/568728834.db2.gz ZHZZTKVSGFUSKG-IBGZPJMESA-N 1 1 434.588 4.150 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129076 568765434 /nfs/dbraw/zinc/76/54/34/568765434.db2.gz HTWUOOZYSMRVNT-URXFXBBRSA-N 1 1 426.992 4.346 40 0 IIABMO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329046092 568810387 /nfs/dbraw/zinc/81/03/87/568810387.db2.gz TZXLZSUUQPCWKR-LJQANCHMSA-N 1 1 433.394 4.354 40 0 IIABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)[N@@H+]2C=Cc4ccccc4[C@@H]32)cc1C ZINC000103533730 568897224 /nfs/dbraw/zinc/89/72/24/568897224.db2.gz FYLCRYPUYAAHSU-LUKWVAJMSA-N 1 1 428.532 4.434 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000248139046 569207294 /nfs/dbraw/zinc/20/72/94/569207294.db2.gz PRHIXVSQKXXKFU-MZKRTTBSSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000019560941 569226974 /nfs/dbraw/zinc/22/69/74/569226974.db2.gz OOTFJOFRMSALTD-SQJMNOBHSA-N 1 1 437.584 4.359 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C1)CO2 ZINC000019704671 569233618 /nfs/dbraw/zinc/23/36/18/569233618.db2.gz NGBVPGSXJRRJDN-GOSISDBHSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C1)CO2 ZINC000019704671 569233619 /nfs/dbraw/zinc/23/36/19/569233619.db2.gz NGBVPGSXJRRJDN-GOSISDBHSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C1)CO2 ZINC000019704671 569233621 /nfs/dbraw/zinc/23/36/21/569233621.db2.gz NGBVPGSXJRRJDN-GOSISDBHSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765348 569238846 /nfs/dbraw/zinc/23/88/46/569238846.db2.gz OBXSALRUSGZSJK-NRFANRHFSA-N 1 1 448.542 4.242 40 0 IIABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)c1 ZINC000019687685 569326290 /nfs/dbraw/zinc/32/62/90/569326290.db2.gz FLZVXWWNSUIFGY-QHCPKHFHSA-N 1 1 445.567 4.044 40 0 IIABMO O=C(C[NH+]1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 ZINC000019695962 569326726 /nfs/dbraw/zinc/32/67/26/569326726.db2.gz TVFYMHIPZIJWKC-DEOSSOPVSA-N 1 1 435.543 4.081 40 0 IIABMO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C)cc2)cc(OC)c1OC ZINC000035290817 522103855 /nfs/dbraw/zinc/10/38/55/522103855.db2.gz XSRKVQSUSHLOQO-FRIKZZABSA-N 1 1 438.568 4.336 40 0 IIABMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000035291853 523683966 /nfs/dbraw/zinc/68/39/66/523683966.db2.gz CHQZNHCVWANFFP-UHFFFAOYSA-N 1 1 443.547 4.254 40 0 IIABMO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000036719525 524027437 /nfs/dbraw/zinc/02/74/37/524027437.db2.gz PFLPYMVRCNCHSB-UTKZUKDTSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000036719525 524027441 /nfs/dbraw/zinc/02/74/41/524027441.db2.gz PFLPYMVRCNCHSB-UTKZUKDTSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)c1 ZINC000012188328 524827097 /nfs/dbraw/zinc/82/70/97/524827097.db2.gz MXOCIFYHPJVHBC-UTKZUKDTSA-N 1 1 448.485 4.459 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)c1 ZINC000012188328 524827102 /nfs/dbraw/zinc/82/71/02/524827102.db2.gz MXOCIFYHPJVHBC-UTKZUKDTSA-N 1 1 448.485 4.459 40 0 IIABMO O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503175 527449116 /nfs/dbraw/zinc/44/91/16/527449116.db2.gz VOFLONGKSYHCTG-PGRDOPGGSA-N 1 1 426.516 4.373 40 0 biogenic,in-vitro IIABMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042191 556242342 /nfs/dbraw/zinc/24/23/42/556242342.db2.gz VPBLXOLTDCARML-OSWMTFESSA-N 1 1 439.943 4.236 40 0 IIABMO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039767661 556436999 /nfs/dbraw/zinc/43/69/99/556436999.db2.gz VGVGDLRNXZYBKB-MRXNPFEDSA-N 1 1 434.939 4.283 40 0 IIABMO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039767660 556437125 /nfs/dbraw/zinc/43/71/25/556437125.db2.gz VGVGDLRNXZYBKB-INIZCTEOSA-N 1 1 434.939 4.283 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1OC ZINC000015890202 556561616 /nfs/dbraw/zinc/56/16/16/556561616.db2.gz YETHDVTXEXWSPK-DEOSSOPVSA-N 1 1 436.596 4.397 40 0 IIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000038855349 556625702 /nfs/dbraw/zinc/62/57/02/556625702.db2.gz DVDBUEYTJMRXIF-UHFFFAOYSA-N 1 1 438.531 4.465 40 0 IIABMO Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135710 556706127 /nfs/dbraw/zinc/70/61/27/556706127.db2.gz CIMBPVAKFYYFRJ-TZIWHRDSSA-N 1 1 448.611 4.301 40 0 IIABMO Cc1ccc(CO)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019214625 556711341 /nfs/dbraw/zinc/71/13/41/556711341.db2.gz CFALHJLATMEDRM-DNQXCXABSA-N 1 1 446.522 4.196 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2cncc3ccccc32)C1 ZINC000257294688 556716757 /nfs/dbraw/zinc/71/67/57/556716757.db2.gz QVHHRCUZNLQBAR-NRFANRHFSA-N 1 1 440.547 4.119 40 0 IIABMO CN1C(=O)CCC[C@]12C[N@@H+](Cc1cccc(Oc3ncccn3)c1)C[C@H]2c1ccc(F)cc1 ZINC000257308131 556718196 /nfs/dbraw/zinc/71/81/96/556718196.db2.gz TVNHMLKJSNVTPB-JYFHCDHNSA-N 1 1 446.526 4.389 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1 ZINC000019288228 556728595 /nfs/dbraw/zinc/72/85/95/556728595.db2.gz HEWIUAXLVIXEMZ-OAQYLSRUSA-N 1 1 425.536 4.390 40 0 IIABMO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019349203 556744174 /nfs/dbraw/zinc/74/41/74/556744174.db2.gz XUONSORQRSVRCB-TZBSWOFLSA-N 1 1 433.502 4.490 40 0 IIABMO O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019370225 556747670 /nfs/dbraw/zinc/74/76/70/556747670.db2.gz JXDSIQMYQWZVBB-JOCHJYFZSA-N 1 1 448.592 4.098 40 0 IIABMO O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019370225 556747673 /nfs/dbraw/zinc/74/76/73/556747673.db2.gz JXDSIQMYQWZVBB-JOCHJYFZSA-N 1 1 448.592 4.098 40 0 IIABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000019400517 556753279 /nfs/dbraw/zinc/75/32/79/556753279.db2.gz FTXLTNVPTQTJCI-WQTXXOFMSA-N 1 1 431.939 4.123 40 0 IIABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000019400517 556753282 /nfs/dbraw/zinc/75/32/82/556753282.db2.gz FTXLTNVPTQTJCI-WQTXXOFMSA-N 1 1 431.939 4.123 40 0 IIABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002292071 556760483 /nfs/dbraw/zinc/76/04/83/556760483.db2.gz WUJSHHWRLPGLCB-OWJWWREXSA-N 1 1 427.545 4.192 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495982 556768642 /nfs/dbraw/zinc/76/86/42/556768642.db2.gz PKXMERRELUUPNN-FQVRHNBASA-N 1 1 426.605 4.363 40 0 IIABMO CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019503561 556775253 /nfs/dbraw/zinc/77/52/53/556775253.db2.gz KDIIEAGAOVDXHO-HHHXNRCGSA-N 1 1 428.580 4.495 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001353344 556781489 /nfs/dbraw/zinc/78/14/89/556781489.db2.gz JPRPWQFPEPZAAV-HXUWFJFHSA-N 1 1 436.531 4.494 40 0 IIABMO CCn1cc(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019524750 556782106 /nfs/dbraw/zinc/78/21/06/556782106.db2.gz FQRDEWLBQVCVCM-BKMJKUGQSA-N 1 1 432.568 4.093 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 ZINC000019580416 556818492 /nfs/dbraw/zinc/81/84/92/556818492.db2.gz COLNSMMZAROBEO-HHHXNRCGSA-N 1 1 429.564 4.280 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(-c5ccoc5C)cc4n3)C2)c1OC ZINC000019583110 556820722 /nfs/dbraw/zinc/82/07/22/556820722.db2.gz OXXZVBIBDGOKOC-KRWDZBQOSA-N 1 1 447.539 4.277 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1OC ZINC000019584588 556821989 /nfs/dbraw/zinc/82/19/89/556821989.db2.gz RMFNCAIFODIQJH-LJQANCHMSA-N 1 1 433.556 4.001 40 0 IIABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 ZINC000019585276 556822410 /nfs/dbraw/zinc/82/24/10/556822410.db2.gz NNRVHBNJNJJERR-QFIPXVFZSA-N 1 1 433.556 4.349 40 0 IIABMO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@H+]2Cc2cn(CCCO)c3ccccc23)n1 ZINC000019690817 556846494 /nfs/dbraw/zinc/84/64/94/556846494.db2.gz CJSKBRZYVNJBOU-RUZDIDTESA-N 1 1 442.567 4.103 40 0 IIABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019690507 556846571 /nfs/dbraw/zinc/84/65/71/556846571.db2.gz UWMKIKQVFXNSQZ-QGZVFWFLSA-N 1 1 449.517 4.022 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695808 556852678 /nfs/dbraw/zinc/85/26/78/556852678.db2.gz PUCQMIGJMHXIIB-HXUWFJFHSA-N 1 1 445.542 4.178 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019695783 556852689 /nfs/dbraw/zinc/85/26/89/556852689.db2.gz SIHIBZUUIXUQOD-QHCPKHFHSA-N 1 1 441.579 4.082 40 0 IIABMO CC(C)c1ncc(C[NH+]2CCC([C@@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)cn1 ZINC000019698452 556856746 /nfs/dbraw/zinc/85/67/46/556856746.db2.gz CRQQNQGCRMNQNZ-VWLOTQADSA-N 1 1 432.612 4.459 40 0 IIABMO Cc1[nH+]ccn1CCCC(=O)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019743966 556889462 /nfs/dbraw/zinc/88/94/62/556889462.db2.gz GWVLKOLBBBWXOE-XMMPIXPASA-N 1 1 436.600 4.039 40 0 IIABMO Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000019755900 556899203 /nfs/dbraw/zinc/89/92/03/556899203.db2.gz XTSFJMXWSSGPSN-JOCHJYFZSA-N 1 1 446.555 4.076 40 0 IIABMO COc1cccc(CNc2cc(CC3CCN(C(=O)[C@@H]4CC45CCC5)CC3)[nH+]c(C)n2)c1 ZINC000019758796 556902623 /nfs/dbraw/zinc/90/26/23/556902623.db2.gz WZBOWWJRFBCGDR-QHCPKHFHSA-N 1 1 434.584 4.377 40 0 IIABMO C=C1[NH+]=C(SCc2ccccc2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991353 556911649 /nfs/dbraw/zinc/91/16/49/556911649.db2.gz QGWWNIXOKNGQBN-NRFANRHFSA-N 1 1 426.538 4.475 40 0 IIABMO C[C@@H](CCc1ccccc1)NC(=O)C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000072347915 556919191 /nfs/dbraw/zinc/91/91/91/556919191.db2.gz RFYSNFJXOUVPHZ-KRWDZBQOSA-N 1 1 441.959 4.022 40 0 IIABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352428 556924229 /nfs/dbraw/zinc/92/42/29/556924229.db2.gz VHSQAMDVACFMRL-QGZVFWFLSA-N 1 1 427.614 4.278 40 0 IIABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352428 556924232 /nfs/dbraw/zinc/92/42/32/556924232.db2.gz VHSQAMDVACFMRL-QGZVFWFLSA-N 1 1 427.614 4.278 40 0 IIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352525 556924482 /nfs/dbraw/zinc/92/44/82/556924482.db2.gz SSCGGAIJZPMTJX-HNNXBMFYSA-N 1 1 434.565 4.146 40 0 IIABMO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356159 556930754 /nfs/dbraw/zinc/93/07/54/556930754.db2.gz PQAZWVPVBWETDZ-FQEVSTJZSA-N 1 1 425.426 4.092 40 0 IIABMO CC(=O)NCc1cnc([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356159 556930757 /nfs/dbraw/zinc/93/07/57/556930757.db2.gz PQAZWVPVBWETDZ-FQEVSTJZSA-N 1 1 425.426 4.092 40 0 IIABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359791 556932901 /nfs/dbraw/zinc/93/29/01/556932901.db2.gz QSNNWAFYJGWFGS-SFHVURJKSA-N 1 1 432.490 4.353 40 0 IIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cn(C(C)=O)c3ccccc23)C1 ZINC000072361015 556933226 /nfs/dbraw/zinc/93/32/26/556933226.db2.gz WKBSYPSINQRZSJ-MRXNPFEDSA-N 1 1 432.549 4.260 40 0 IIABMO CC1CCN(c2ncc(C[N@H+]3CCC[C@@H]3Cc3c4ccccc4sc3C(N)=O)cn2)CC1 ZINC000072370321 556934405 /nfs/dbraw/zinc/93/44/05/556934405.db2.gz OJPPYOYGAOXBRW-LJQANCHMSA-N 1 1 449.624 4.234 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1cccnc1)N1CCOCC1 ZINC000072380062 556957350 /nfs/dbraw/zinc/95/73/50/556957350.db2.gz WVGOGHSDAYNYPN-HXUWFJFHSA-N 1 1 435.593 4.366 40 0 IIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cncn2CC)C1 ZINC000072394074 556965559 /nfs/dbraw/zinc/96/55/59/556965559.db2.gz HKJIIOXFIROZNZ-VWLOTQADSA-N 1 1 436.556 4.254 40 0 IIABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1ccc(F)c(Cl)c1F)CC2 ZINC000585103776 557036436 /nfs/dbraw/zinc/03/64/36/557036436.db2.gz PTVPPYGBCJAFFH-KRWDZBQOSA-N 1 1 449.929 4.157 40 0 IIABMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415133 557110018 /nfs/dbraw/zinc/11/00/18/557110018.db2.gz UMQHKUNKYFBVNO-PFDCSPEHSA-N 1 1 446.595 4.080 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(O)c2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000585183596 557139235 /nfs/dbraw/zinc/13/92/35/557139235.db2.gz IJASDSFQRUEPHW-XMMPIXPASA-N 1 1 429.564 4.367 40 0 IIABMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000263586440 557147069 /nfs/dbraw/zinc/14/70/69/557147069.db2.gz UMQHKUNKYFBVNO-XBLPNDSKSA-N 1 1 446.595 4.080 40 0 IIABMO CCc1ccccc1NC(=O)N1CCC2(C[N@H+](CC(C)C)C[C@]23CCN(CC)C3=O)CC1 ZINC000096262783 557190460 /nfs/dbraw/zinc/19/04/60/557190460.db2.gz BDPWTGAIYBISLR-SANMLTNESA-N 1 1 440.632 4.073 40 0 IIABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261677 557195396 /nfs/dbraw/zinc/19/53/96/557195396.db2.gz CICCXUGRKCBGPY-RPLLCQBOSA-N 1 1 445.538 4.438 40 0 IIABMO c1[nH]nc2cccc(C[C@H]3COCC[N@H+](Cc4ccccc4OCc4cccnc4)C3)c12 ZINC000585261964 557198103 /nfs/dbraw/zinc/19/81/03/557198103.db2.gz QSQMYDMVQZXZCX-OAQYLSRUSA-N 1 1 428.536 4.228 40 0 IIABMO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CCCO2)cc1 ZINC000585262574 557202536 /nfs/dbraw/zinc/20/25/36/557202536.db2.gz UNLVBCPRLYGXCA-FQRUVTKNSA-N 1 1 440.559 4.051 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774044 557263600 /nfs/dbraw/zinc/26/36/00/557263600.db2.gz RRNLSRWDBCCRJH-KBMIEXCESA-N 1 1 425.573 4.214 40 0 IIABMO O=S1(=O)c2ccccc2O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]2N1CC1CC1 ZINC000107184911 557335907 /nfs/dbraw/zinc/33/59/07/557335907.db2.gz YKSHQRPSIMUKSE-SFTDATJTSA-N 1 1 447.000 4.166 40 0 IIABMO O=S1(=O)c2ccccc2O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]2N1CC1CC1 ZINC000107184911 557335909 /nfs/dbraw/zinc/33/59/09/557335909.db2.gz YKSHQRPSIMUKSE-SFTDATJTSA-N 1 1 447.000 4.166 40 0 IIABMO COCCn1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000013563237 557353531 /nfs/dbraw/zinc/35/35/31/557353531.db2.gz DXSSHAHCKAHNAP-IBGZPJMESA-N 1 1 437.510 4.474 40 0 IIABMO COCCn1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000013563237 557353533 /nfs/dbraw/zinc/35/35/33/557353533.db2.gz DXSSHAHCKAHNAP-IBGZPJMESA-N 1 1 437.510 4.474 40 0 IIABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225488290 557728918 /nfs/dbraw/zinc/72/89/18/557728918.db2.gz DWIZRSWRFDFBKL-MOHJPFBDSA-N 1 1 445.588 4.084 40 0 IIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201498 568665822 /nfs/dbraw/zinc/66/58/22/568665822.db2.gz AHXQQVAKUYXRLP-QPPBQGQZSA-N 1 1 435.616 4.394 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@@H](Cc3cccc4ncccc34)C2)c1 ZINC000257241609 568684406 /nfs/dbraw/zinc/68/44/06/568684406.db2.gz HYRMOUFFLNOIIG-QFIPXVFZSA-N 1 1 440.547 4.119 40 0 IIABMO CC(C)(C)C(=O)N1CCC([C@]2(c3nccs3)C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000257261514 568693758 /nfs/dbraw/zinc/69/37/58/568693758.db2.gz LHRRBQQOLWQNLV-DEOSSOPVSA-N 1 1 427.614 4.156 40 0 IIABMO CC(C)(C)C(=O)N1CCC([C@]2(c3nccs3)C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000257261514 568693761 /nfs/dbraw/zinc/69/37/61/568693761.db2.gz LHRRBQQOLWQNLV-DEOSSOPVSA-N 1 1 427.614 4.156 40 0 IIABMO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2F)C1 ZINC000257266863 568696192 /nfs/dbraw/zinc/69/61/92/568696192.db2.gz MEWRNPBFAJQDLQ-QGZVFWFLSA-N 1 1 427.545 4.074 40 0 IIABMO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2F)C1 ZINC000257266863 568696193 /nfs/dbraw/zinc/69/61/93/568696193.db2.gz MEWRNPBFAJQDLQ-QGZVFWFLSA-N 1 1 427.545 4.074 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1Cl ZINC000257284548 568704085 /nfs/dbraw/zinc/70/40/85/568704085.db2.gz PDCDWTPRPOBDME-UPVQGACJSA-N 1 1 444.959 4.127 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1Cl ZINC000257284548 568704088 /nfs/dbraw/zinc/70/40/88/568704088.db2.gz PDCDWTPRPOBDME-UPVQGACJSA-N 1 1 444.959 4.127 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257331478 568725200 /nfs/dbraw/zinc/72/52/00/568725200.db2.gz XTAUYLUZOXTTQB-FQEVSTJZSA-N 1 1 433.531 4.188 40 0 IIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccccn5)C4)nn3c2)c1OC ZINC000306125335 568763692 /nfs/dbraw/zinc/76/36/92/568763692.db2.gz CMXKGBKBQNSQLY-IBGZPJMESA-N 1 1 429.524 4.188 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2ccncc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306139400 568771250 /nfs/dbraw/zinc/77/12/50/568771250.db2.gz SWLRKVGEKRYNOT-RPLLCQBOSA-N 1 1 443.595 4.267 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(OC)c5OC)cn4n3)C2)cn1 ZINC000306144061 568773689 /nfs/dbraw/zinc/77/36/89/568773689.db2.gz YUYJZIDOOYWGQG-HXUWFJFHSA-N 1 1 446.555 4.010 40 0 IIABMO CC(C)[C@@H](CO)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000328980787 568808450 /nfs/dbraw/zinc/80/84/50/568808450.db2.gz GPDPIORRKMEZEG-LJQANCHMSA-N 1 1 436.478 4.244 40 0 IIABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329051429 568810462 /nfs/dbraw/zinc/81/04/62/568810462.db2.gz UXACRHCFOHDMBS-SFHVURJKSA-N 1 1 433.394 4.354 40 0 IIABMO COCCn1ccc2c1cccc2C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199206 568921941 /nfs/dbraw/zinc/92/19/41/568921941.db2.gz WPYRGFYFQPALLS-IMBWNBOCSA-N 1 1 433.596 4.323 40 0 IIABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000019237791 569226418 /nfs/dbraw/zinc/22/64/18/569226418.db2.gz IRSHULNKOTXEDY-CJFMBICVSA-N 1 1 430.552 4.177 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000019587531 569227273 /nfs/dbraw/zinc/22/72/73/569227273.db2.gz PRHIXVSQKXXKFU-VIZSFHNOSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccc(CN2C(=O)CCCC[C@H]3[N@@H+](Cc4cccnc4N(C)C)CC[C@]32C)cc1 ZINC000019713382 569235649 /nfs/dbraw/zinc/23/56/49/569235649.db2.gz RYQUJNJPGOBTAH-ZEQKJWHPSA-N 1 1 436.600 4.092 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765501 569238854 /nfs/dbraw/zinc/23/88/54/569238854.db2.gz DJQDICGVYSVKNG-HXUWFJFHSA-N 1 1 436.506 4.373 40 0 IIABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000009281049 569294934 /nfs/dbraw/zinc/29/49/34/569294934.db2.gz LETHRQGOKYTXCQ-RZFJZAQRSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000009281049 569294935 /nfs/dbraw/zinc/29/49/35/569294935.db2.gz LETHRQGOKYTXCQ-RZFJZAQRSA-N 1 1 438.568 4.319 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)nc2C)c1 ZINC000019763355 569328866 /nfs/dbraw/zinc/32/88/66/569328866.db2.gz RRYDXOLAAUKVAX-OAQYLSRUSA-N 1 1 448.542 4.242 40 0 IIABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OCC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534630 569374601 /nfs/dbraw/zinc/37/46/01/569374601.db2.gz CSNQOTLTIJTWMN-OAQYLSRUSA-N 1 1 426.517 4.115 40 0 IIABMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258338 526313850 /nfs/dbraw/zinc/31/38/50/526313850.db2.gz CHAHHZINYGMBFU-UHFFFAOYSA-N 1 1 449.982 4.471 40 0 IIABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182754 526754287 /nfs/dbraw/zinc/75/42/87/526754287.db2.gz NWTKMFHFVNJVJQ-KMQSCTNJSA-N 1 1 428.577 4.041 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)c1 ZINC000012088063 556400962 /nfs/dbraw/zinc/40/09/62/556400962.db2.gz PKBFLQGXDLLMEH-JOCHJYFZSA-N 1 1 425.536 4.390 40 0 IIABMO CC(C)(C)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000014831556 556448930 /nfs/dbraw/zinc/44/89/30/556448930.db2.gz KAXMFKXONNGISG-UHFFFAOYSA-N 1 1 445.401 4.470 40 0 IIABMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C)nc4c3cnn4-c3ccccc3F)CC2)c1 ZINC000036615934 556513626 /nfs/dbraw/zinc/51/36/26/556513626.db2.gz VQWJBWQIMPTYBZ-UHFFFAOYSA-N 1 1 443.526 4.134 40 0 IIABMO O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030942137 556516160 /nfs/dbraw/zinc/51/61/60/556516160.db2.gz XTSOEJJPQUAFQW-OAQYLSRUSA-N 1 1 446.526 4.001 40 0 IIABMO CC[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000031860843 556527125 /nfs/dbraw/zinc/52/71/25/556527125.db2.gz ICBSBTSRZHYVGZ-KITIHOALSA-N 1 1 441.524 4.414 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1OC ZINC000015890200 556561675 /nfs/dbraw/zinc/56/16/75/556561675.db2.gz YETHDVTXEXWSPK-XMMPIXPASA-N 1 1 436.596 4.397 40 0 IIABMO COc1cc(OC)c(NC(=O)C[NH+]2CCC(Cn3cnc4ccccc43)CC2)cc1Cl ZINC000038535501 556613757 /nfs/dbraw/zinc/61/37/57/556613757.db2.gz VSBCXRCCFXYKNU-UHFFFAOYSA-N 1 1 442.947 4.058 40 0 IIABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855650 556671892 /nfs/dbraw/zinc/67/18/92/556671892.db2.gz WHBQLHPYLZUFDU-XMSQKQJNSA-N 1 1 426.532 4.465 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000019081868 556696834 /nfs/dbraw/zinc/69/68/34/556696834.db2.gz WERUYJYCNVSCAS-WMZHIEFXSA-N 1 1 425.573 4.214 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@H](Cc2cn3ccnc3cn2)C1 ZINC000257337684 556706725 /nfs/dbraw/zinc/70/67/25/556706725.db2.gz YTYHRZSALNWZML-HXUWFJFHSA-N 1 1 428.536 4.096 40 0 IIABMO COc1ccc2c(c1)c(C[N@@H+](Cc1ccncc1)Cc1ccc(C)cc1)cn2CC(N)=O ZINC000019210184 556708797 /nfs/dbraw/zinc/70/87/97/556708797.db2.gz JYXXYKRADCAWJV-UHFFFAOYSA-N 1 1 428.536 4.041 40 0 IIABMO COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@H]3CCC[N@@H+](C)C3)CCOCC2)cc1 ZINC000257267759 556713512 /nfs/dbraw/zinc/71/35/12/556713512.db2.gz MIQFSZAEBZYQDF-QFIPXVFZSA-N 1 1 440.559 4.051 40 0 IIABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235964 556720422 /nfs/dbraw/zinc/72/04/22/556720422.db2.gz DEOLHNUHWQAPSQ-HXUWFJFHSA-N 1 1 446.599 4.174 40 0 IIABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235963 556720520 /nfs/dbraw/zinc/72/05/20/556720520.db2.gz DYUBELNMYPLFLG-IBGZPJMESA-N 1 1 432.572 4.164 40 0 IIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccccn2)N1 ZINC000019349455 556744338 /nfs/dbraw/zinc/74/43/38/556744338.db2.gz PHLLBDXGAGKXQL-WNCULLNHSA-N 1 1 442.563 4.084 40 0 IIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2ccccn2)N1 ZINC000019402003 556753940 /nfs/dbraw/zinc/75/39/40/556753940.db2.gz HRIZAMBNSMIJIC-RPLLCQBOSA-N 1 1 442.563 4.084 40 0 IIABMO O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019406432 556755005 /nfs/dbraw/zinc/75/50/05/556755005.db2.gz ZLBRRLXCIJPWHC-OAQYLSRUSA-N 1 1 440.613 4.088 40 0 IIABMO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019447332 556756633 /nfs/dbraw/zinc/75/66/33/556756633.db2.gz VDAHMECZVUDPFG-MHZLTWQESA-N 1 1 428.580 4.351 40 0 IIABMO C[C@H](CC[N@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019455646 556765614 /nfs/dbraw/zinc/76/56/14/556765614.db2.gz QYXYSPJQLRYFRP-ZBLYBZFDSA-N 1 1 428.580 4.447 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)Cc4ccccc4)[nH]c(=O)c3C2)CC1 ZINC000019495996 556768681 /nfs/dbraw/zinc/76/86/81/556768681.db2.gz CVJPRUAGPZDJBK-KXNZUKPASA-N 1 1 434.584 4.025 40 0 IIABMO CCOc1ccc2c(c1)c(C[N@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)c(C)n2C ZINC000019519897 556775590 /nfs/dbraw/zinc/77/55/90/556775590.db2.gz OOZDFAZAKUXVND-WNCULLNHSA-N 1 1 446.595 4.309 40 0 IIABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019522026 556778950 /nfs/dbraw/zinc/77/89/50/556778950.db2.gz GXLXWFYYHWIXAO-AWEZNQCLSA-N 1 1 434.466 4.040 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)cn1 ZINC000019523376 556780734 /nfs/dbraw/zinc/78/07/34/556780734.db2.gz XIJCZTDGBULWPA-HHHXNRCGSA-N 1 1 443.595 4.014 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527722 556787408 /nfs/dbraw/zinc/78/74/08/556787408.db2.gz FIJBYNDKJBHENP-XMMPIXPASA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527722 556787411 /nfs/dbraw/zinc/78/74/11/556787411.db2.gz FIJBYNDKJBHENP-XMMPIXPASA-N 1 1 443.595 4.185 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001378312 556795189 /nfs/dbraw/zinc/79/51/89/556795189.db2.gz UMKYGHJTVFXOLK-HXUWFJFHSA-N 1 1 436.531 4.494 40 0 IIABMO COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@@H]32)c1 ZINC000019566329 556807140 /nfs/dbraw/zinc/80/71/40/556807140.db2.gz APIWRBGKPGRDHV-PQNGQFLHSA-N 1 1 426.507 4.200 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c1OC ZINC000019567569 556807876 /nfs/dbraw/zinc/80/78/76/556807876.db2.gz IELRAGLQGLDTAN-HHHXNRCGSA-N 1 1 430.548 4.291 40 0 IIABMO CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@H+]1CC ZINC000004217052 556821192 /nfs/dbraw/zinc/82/11/92/556821192.db2.gz RHYWVDWRGBLPLS-NRFANRHFSA-N 1 1 428.646 4.106 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584418 556821820 /nfs/dbraw/zinc/82/18/20/556821820.db2.gz WTARYLFPVVWYIU-LJQANCHMSA-N 1 1 433.556 4.001 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019591330 556826443 /nfs/dbraw/zinc/82/64/43/556826443.db2.gz JTZKDCMGGLNUOC-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000019591733 556827517 /nfs/dbraw/zinc/82/75/17/556827517.db2.gz DNNSNWMSWKQQFX-NDEPHWFRSA-N 1 1 436.559 4.478 40 0 IIABMO O=C(c1sc2ccccc2c1[C@H]1C[N@H+](CC2CCCCC2)CCO1)N1CCOCC1 ZINC000019697855 556855701 /nfs/dbraw/zinc/85/57/01/556855701.db2.gz SZPPVUULEIAHJJ-HXUWFJFHSA-N 1 1 428.598 4.327 40 0 IIABMO O=C(c1sc2ccccc2c1[C@H]1C[N@@H+](CC2CCCCC2)CCO1)N1CCOCC1 ZINC000019697855 556855704 /nfs/dbraw/zinc/85/57/04/556855704.db2.gz SZPPVUULEIAHJJ-HXUWFJFHSA-N 1 1 428.598 4.327 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)nc2c1CCC(=O)N2C ZINC000019741320 556883241 /nfs/dbraw/zinc/88/32/41/556883241.db2.gz MRFACWPLLWPNAR-GOSISDBHSA-N 1 1 432.572 4.004 40 0 IIABMO Cc1nc([C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)nc2c1CCC(=O)N2C ZINC000019741320 556883246 /nfs/dbraw/zinc/88/32/46/556883246.db2.gz MRFACWPLLWPNAR-GOSISDBHSA-N 1 1 432.572 4.004 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(C)nn(-c4ccccn4)c3n2)cc1CO ZINC000019742454 556886440 /nfs/dbraw/zinc/88/64/40/556886440.db2.gz VLTBZXKBXCRPNK-QHCPKHFHSA-N 1 1 443.551 4.352 40 0 IIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1 ZINC000408923912 556892668 /nfs/dbraw/zinc/89/26/68/556892668.db2.gz HZRLNSCBKKTNIG-UHFFFAOYSA-N 1 1 441.641 4.279 40 0 IIABMO Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000019755898 556899191 /nfs/dbraw/zinc/89/91/91/556899191.db2.gz XTSFJMXWSSGPSN-QFIPXVFZSA-N 1 1 446.555 4.076 40 0 IIABMO Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)[nH+]1 ZINC000019758598 556902365 /nfs/dbraw/zinc/90/23/65/556902365.db2.gz YGDREOSQCCQJDB-JOCHJYFZSA-N 1 1 447.583 4.047 40 0 IIABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000072337789 556910766 /nfs/dbraw/zinc/91/07/66/556910766.db2.gz HPDFJXXPPNBDQC-YBAQQERZSA-N 1 1 448.592 4.443 40 0 IIABMO COc1ccc2c(C[N@H+]3CC[C@H](c4c5cccnc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352526 556924576 /nfs/dbraw/zinc/92/45/76/556924576.db2.gz CWTLFUDIIIISLK-INIZCTEOSA-N 1 1 448.592 4.488 40 0 IIABMO COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072352825 556925214 /nfs/dbraw/zinc/92/52/14/556925214.db2.gz UZVUPAXXMSDLQX-HXUWFJFHSA-N 1 1 434.584 4.395 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)c1 ZINC000072353236 556926073 /nfs/dbraw/zinc/92/60/73/556926073.db2.gz RWCBHOUINZRUQN-DEOSSOPVSA-N 1 1 445.567 4.333 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)c1 ZINC000072353236 556926076 /nfs/dbraw/zinc/92/60/76/556926076.db2.gz RWCBHOUINZRUQN-DEOSSOPVSA-N 1 1 445.567 4.333 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@H+](CC(=O)N(C)C4CCCCC4)C3)nc2)n1 ZINC000072353275 556926311 /nfs/dbraw/zinc/92/63/11/556926311.db2.gz WXZPKCLJVSINHT-FQEVSTJZSA-N 1 1 436.604 4.203 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1CC(=O)N1CCCCC1 ZINC000072370508 556935124 /nfs/dbraw/zinc/93/51/24/556935124.db2.gz MLYVKDAYADEIID-GOSISDBHSA-N 1 1 427.614 4.013 40 0 IIABMO O=C(C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371241 556938000 /nfs/dbraw/zinc/93/80/00/556938000.db2.gz JOJRYRXINVRWPJ-INIZCTEOSA-N 1 1 442.922 4.252 40 0 IIABMO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371241 556938003 /nfs/dbraw/zinc/93/80/03/556938003.db2.gz JOJRYRXINVRWPJ-INIZCTEOSA-N 1 1 442.922 4.252 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371470 556938997 /nfs/dbraw/zinc/93/89/97/556938997.db2.gz LYVCCSCZJDKELJ-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371470 556938998 /nfs/dbraw/zinc/93/89/98/556938998.db2.gz LYVCCSCZJDKELJ-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371470 556939001 /nfs/dbraw/zinc/93/90/01/556939001.db2.gz LYVCCSCZJDKELJ-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3ccc4c(c3)OCCO4)c2)n1 ZINC000072372505 556942763 /nfs/dbraw/zinc/94/27/63/556942763.db2.gz NTSZLQPWFDDCAH-OAQYLSRUSA-N 1 1 445.523 4.289 40 0 IIABMO CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374565 556948450 /nfs/dbraw/zinc/94/84/50/556948450.db2.gz PXDWIVWWRUFTHY-HSZRJFAPSA-N 1 1 446.599 4.356 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1 ZINC000072375037 556950417 /nfs/dbraw/zinc/95/04/17/556950417.db2.gz VTHOUXAQCHNVKO-OAQYLSRUSA-N 1 1 432.572 4.196 40 0 IIABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000072376081 556953780 /nfs/dbraw/zinc/95/37/80/556953780.db2.gz NNXOMCNPJAHKNZ-HXUWFJFHSA-N 1 1 442.567 4.099 40 0 IIABMO COc1ccc(OC)c(C[N@H+](Cc2ccc(F)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)c1 ZINC000072395085 556966502 /nfs/dbraw/zinc/96/65/02/556966502.db2.gz SMNFIFWGAWVPRG-HYBUGGRVSA-N 1 1 440.515 4.399 40 0 IIABMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(F)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)c1 ZINC000072395085 556966504 /nfs/dbraw/zinc/96/65/04/556966504.db2.gz SMNFIFWGAWVPRG-HYBUGGRVSA-N 1 1 440.515 4.399 40 0 IIABMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)cc1Cc1c(C)noc1C ZINC000072395307 556966718 /nfs/dbraw/zinc/96/67/18/556966718.db2.gz DKZRSQGVNYXDAE-SSEPRJSISA-N 1 1 447.579 4.324 40 0 IIABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4cc5c(cc4C)OCO5)C3)cc2n1 ZINC000072397144 556969924 /nfs/dbraw/zinc/96/99/24/556969924.db2.gz INEXAHQDMGNRCB-OAHLLOKOSA-N 1 1 432.446 4.473 40 0 IIABMO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1cccs1 ZINC000585110045 557042541 /nfs/dbraw/zinc/04/25/41/557042541.db2.gz ATQIMSHMHQZXCZ-NHCUHLMSSA-N 1 1 431.561 4.172 40 0 IIABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCCC3)cc2c1 ZINC000006149210 557146448 /nfs/dbraw/zinc/14/64/48/557146448.db2.gz ZTHLPSAQUFSYOW-OAQYLSRUSA-N 1 1 438.576 4.024 40 0 IIABMO O=C(CCc1cccnc1)N1C[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245520 557188267 /nfs/dbraw/zinc/18/82/67/557188267.db2.gz ZHLXVBMHQDXKJZ-WMPKNSHKSA-N 1 1 425.576 4.237 40 0 IIABMO C[N@@H+](CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585263539 557204051 /nfs/dbraw/zinc/20/40/51/557204051.db2.gz UIIAPZMEXSANAC-LWSSLDFYSA-N 1 1 440.584 4.025 40 0 IIABMO Cc1sc(NC(=O)C[NH+]2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565771 557343370 /nfs/dbraw/zinc/34/33/70/557343370.db2.gz XNUPTCPOGVPMAH-UHFFFAOYSA-N 1 1 440.613 4.478 40 0 IIABMO COc1ccc(/C=C(/C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)cc1 ZINC000224707163 557642969 /nfs/dbraw/zinc/64/29/69/557642969.db2.gz RKDZCSWGRSGCRK-ZXVVBBHZSA-N 1 1 442.559 4.384 40 0 IIABMO O=C(CCc1nc(-c2cccc3ccccc32)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225829498 557782297 /nfs/dbraw/zinc/78/22/97/557782297.db2.gz ONIJMPWHMMYBHE-UHFFFAOYSA-N 1 1 426.520 4.167 40 0 IIABMO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@H](C(C)(C)O)C1)[C@@]4(C)O3 ZINC000253504120 560037824 /nfs/dbraw/zinc/03/78/24/560037824.db2.gz CQJSMSATJDJBEL-TXRNNYDISA-N 1 1 439.596 4.028 40 0 biogenic,in-vitro IIABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@H](O)Cn3ccc4ccccc43)cc2)n1 ZINC000585270019 568616750 /nfs/dbraw/zinc/61/67/50/568616750.db2.gz BPFSSZIXDHVZTF-DEOSSOPVSA-N 1 1 432.568 4.027 40 0 IIABMO CCOCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585274674 568618517 /nfs/dbraw/zinc/61/85/17/568618517.db2.gz ZHDXZJTWQYDWIV-XMMPIXPASA-N 1 1 433.976 4.470 40 0 IIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201501 568665779 /nfs/dbraw/zinc/66/57/79/568665779.db2.gz AHXQQVAKUYXRLP-ZJSXRUAMSA-N 1 1 435.616 4.394 40 0 IIABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257205053 568667693 /nfs/dbraw/zinc/66/76/93/568667693.db2.gz AXLDHFNIWCHVLM-IBGZPJMESA-N 1 1 448.596 4.079 40 0 IIABMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257205053 568667696 /nfs/dbraw/zinc/66/76/96/568667696.db2.gz AXLDHFNIWCHVLM-IBGZPJMESA-N 1 1 448.596 4.079 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)cc1 ZINC000257247979 568687628 /nfs/dbraw/zinc/68/76/28/568687628.db2.gz JBMGRWUCOVUUHZ-OAQYLSRUSA-N 1 1 436.600 4.083 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)nc2)n1 ZINC000257264060 568694966 /nfs/dbraw/zinc/69/49/66/568694966.db2.gz LSSQTLOIVUHLOU-DEOSSOPVSA-N 1 1 426.524 4.354 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)nc2)n1 ZINC000257264060 568694968 /nfs/dbraw/zinc/69/49/68/568694968.db2.gz LSSQTLOIVUHLOU-DEOSSOPVSA-N 1 1 426.524 4.354 40 0 IIABMO COCc1ccc(C(=O)N2CCO[C@@H](c3cc(Nc4ncc(C)s4)cc(C)[nH+]3)C2)cc1 ZINC000257272661 568698885 /nfs/dbraw/zinc/69/88/85/568698885.db2.gz NDIUUJAURFVZBU-OAQYLSRUSA-N 1 1 438.553 4.259 40 0 IIABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(CC(=O)Nc4cc(C)on4)C3)c2)n1 ZINC000257323043 568721458 /nfs/dbraw/zinc/72/14/58/568721458.db2.gz WINJVJKPQNJUAO-MRXNPFEDSA-N 1 1 426.546 4.013 40 0 IIABMO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)CC[C@H]21 ZINC000257339024 568728181 /nfs/dbraw/zinc/72/81/81/568728181.db2.gz YZWRYRHFFOBPFA-UBFVSLLYSA-N 1 1 446.526 4.244 40 0 IIABMO CN1C(=O)CO[C@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3OCc3ccccc3)CC[C@@H]21 ZINC000257340823 568728894 /nfs/dbraw/zinc/72/88/94/568728894.db2.gz ZHQMLHNGHDTXPL-ZCYQVOJMSA-N 1 1 436.596 4.385 40 0 IIABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@H+](Cc5cccc(C)n5)CCN4C)cn32)cc1 ZINC000306126538 568764166 /nfs/dbraw/zinc/76/41/66/568764166.db2.gz DYQHJOZXAKBEQZ-VWLOTQADSA-N 1 1 427.552 4.202 40 0 IIABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](Cc5cccc(C)n5)CCN4C)cn32)cc1 ZINC000306126538 568764167 /nfs/dbraw/zinc/76/41/67/568764167.db2.gz DYQHJOZXAKBEQZ-VWLOTQADSA-N 1 1 427.552 4.202 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127771 568764919 /nfs/dbraw/zinc/76/49/19/568764919.db2.gz GHJFXWXSYPYRLI-GBXCKJPGSA-N 1 1 426.992 4.346 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccccn1)C2=O ZINC000306140932 568772043 /nfs/dbraw/zinc/77/20/43/568772043.db2.gz VHAMRAACOBDWRN-WIOPSUGQSA-N 1 1 449.624 4.329 40 0 IIABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328990364 568808682 /nfs/dbraw/zinc/80/86/82/568808682.db2.gz IOHUDRFILKDFLI-SFHVURJKSA-N 1 1 433.394 4.354 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)[C@H]1CCCO1 ZINC000247471999 569205991 /nfs/dbraw/zinc/20/59/91/569205991.db2.gz FTXLTNVPTQTJCI-HVETUWLQSA-N 1 1 431.939 4.123 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)[C@H]1CCCO1 ZINC000247471999 569205992 /nfs/dbraw/zinc/20/59/92/569205992.db2.gz FTXLTNVPTQTJCI-HVETUWLQSA-N 1 1 431.939 4.123 40 0 IIABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[nH]c(=O)c2C1 ZINC000253599412 569209027 /nfs/dbraw/zinc/20/90/27/569209027.db2.gz PMNWPCUMKYGKHY-XLIONFOSSA-N 1 1 438.597 4.130 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000019551497 569227020 /nfs/dbraw/zinc/22/70/20/569227020.db2.gz PNFINCDYPJJPDZ-CJFMBICVSA-N 1 1 437.584 4.359 40 0 IIABMO CC(C)COc1ccccc1C[N@H+]1CC[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019686902 569227467 /nfs/dbraw/zinc/22/74/67/569227467.db2.gz AJSJKQPBGOWHLX-FQEVSTJZSA-N 1 1 432.572 4.024 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccccn3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704901 569233729 /nfs/dbraw/zinc/23/37/29/569233729.db2.gz CQQMLRFICJOFOY-DEOSSOPVSA-N 1 1 441.572 4.481 40 0 IIABMO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](c3ccc4c(n[nH]c4NCc4ccccc4)n3)C2)CC1 ZINC000019705135 569233986 /nfs/dbraw/zinc/23/39/86/569233986.db2.gz WSNURJZVKBOBRX-NRFANRHFSA-N 1 1 446.599 4.006 40 0 IIABMO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CCOc2ccccc2F)C1 ZINC000019739222 569236603 /nfs/dbraw/zinc/23/66/03/569236603.db2.gz QFZYONAYMCHQRD-VWLOTQADSA-N 1 1 443.563 4.263 40 0 IIABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ccc(C)cc3OC)C2)nc1C ZINC000019766094 569239165 /nfs/dbraw/zinc/23/91/65/569239165.db2.gz SNBYJGDFKORUTQ-HXUWFJFHSA-N 1 1 446.551 4.352 40 0 IIABMO C[C@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5CC(=O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070665689 569315224 /nfs/dbraw/zinc/31/52/24/569315224.db2.gz HIDAYMRWVVNXAO-CPPSCGOUSA-N 1 1 427.629 4.095 40 0 biogenic IIABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000019694626 569326788 /nfs/dbraw/zinc/32/67/88/569326788.db2.gz ZNQKIXQNOMXHPS-FQEVSTJZSA-N 1 1 449.986 4.342 40 0 IIABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)c1ccccc1-c1ccccc1)CC2 ZINC000019710321 569327562 /nfs/dbraw/zinc/32/75/62/569327562.db2.gz ZBPIVNUEJICDCU-HXUWFJFHSA-N 1 1 441.579 4.193 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2C)c1 ZINC000019763402 569328894 /nfs/dbraw/zinc/32/88/94/569328894.db2.gz KBZHMFFPPLIWJJ-HSZRJFAPSA-N 1 1 444.579 4.146 40 0 IIABMO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000012113167 519642309 /nfs/dbraw/zinc/64/23/09/519642309.db2.gz TYUKEPCDTUBRMJ-UHFFFAOYSA-N 1 1 427.548 4.420 40 0 IIABMO C[C@@H](C[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1)c1ccccc1 ZINC000012182790 524571646 /nfs/dbraw/zinc/57/16/46/524571646.db2.gz VJFPZLJEDCFEHX-BULFRSBZSA-N 1 1 438.572 4.122 40 0 IIABMO Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928619 526961925 /nfs/dbraw/zinc/96/19/25/526961925.db2.gz YJEBJXKRTJCTKS-QHCPKHFHSA-N 1 1 436.991 4.349 40 0 IIABMO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038834543 556622442 /nfs/dbraw/zinc/62/24/42/556622442.db2.gz QPYPBZHZYKWSLH-UHFFFAOYSA-N 1 1 431.330 4.086 40 0 IIABMO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038835145 556623131 /nfs/dbraw/zinc/62/31/31/556623131.db2.gz KTXPCZYGCZKQNC-UHFFFAOYSA-N 1 1 431.330 4.086 40 0 IIABMO COc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)c1 ZINC000514289775 556623990 /nfs/dbraw/zinc/62/39/90/556623990.db2.gz FDIWNERGRHXMJR-WPFOTENUSA-N 1 1 430.614 4.376 40 0 biogenic,in-vitro IIABMO COc1cccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)c1 ZINC000514289775 556623992 /nfs/dbraw/zinc/62/39/92/556623992.db2.gz FDIWNERGRHXMJR-WPFOTENUSA-N 1 1 430.614 4.376 40 0 biogenic,in-vitro IIABMO COC(=O)c1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000038857938 556626131 /nfs/dbraw/zinc/62/61/31/556626131.db2.gz KQWBYMKYOSBUQZ-MRXNPFEDSA-N 1 1 430.545 4.403 40 0 IIABMO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC000257216591 556703089 /nfs/dbraw/zinc/70/30/89/556703089.db2.gz CVFFUJAAUMHROV-UIOOFZCWSA-N 1 1 430.548 4.113 40 0 IIABMO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCC[N@H+]3CCCC[C@H]3C)CCCO2)c1 ZINC000257218453 556703530 /nfs/dbraw/zinc/70/35/30/556703530.db2.gz DDFGDFAMEXDXDS-ZBLYBZFDSA-N 1 1 436.596 4.445 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CN(Cc3ccccc3)C(=O)O2)C1)N(c1ccccc1)c1ccccc1 ZINC000257327324 556705150 /nfs/dbraw/zinc/70/51/50/556705150.db2.gz XAYICRCPLIABAC-HHHXNRCGSA-N 1 1 441.531 4.448 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CN(Cc3ccccc3)C(=O)O2)C1)N(c1ccccc1)c1ccccc1 ZINC000257327324 556705151 /nfs/dbraw/zinc/70/51/51/556705151.db2.gz XAYICRCPLIABAC-HHHXNRCGSA-N 1 1 441.531 4.448 40 0 IIABMO Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135722 556706241 /nfs/dbraw/zinc/70/62/41/556706241.db2.gz CIMBPVAKFYYFRJ-FPOVZHCZSA-N 1 1 448.611 4.301 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244618 556710631 /nfs/dbraw/zinc/71/06/31/556710631.db2.gz IMCMMOVBELFYBH-GMAHTHKFSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244618 556710632 /nfs/dbraw/zinc/71/06/32/556710632.db2.gz IMCMMOVBELFYBH-GMAHTHKFSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244616 556710679 /nfs/dbraw/zinc/71/06/79/556710679.db2.gz IMCMMOVBELFYBH-FYYLOGMGSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244616 556710680 /nfs/dbraw/zinc/71/06/80/556710680.db2.gz IMCMMOVBELFYBH-FYYLOGMGSA-N 1 1 448.485 4.484 40 0 IIABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236207 556720767 /nfs/dbraw/zinc/72/07/67/556720767.db2.gz TZFTVNCSJOVSCL-CPJSRVTESA-N 1 1 430.552 4.177 40 0 IIABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000019237793 556722664 /nfs/dbraw/zinc/72/26/64/556722664.db2.gz IRSHULNKOTXEDY-CPJSRVTESA-N 1 1 430.552 4.177 40 0 IIABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000019290162 556730135 /nfs/dbraw/zinc/73/01/35/556730135.db2.gz FZIZKCIXNATBJH-QFIPXVFZSA-N 1 1 430.600 4.290 40 0 IIABMO O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019292801 556732039 /nfs/dbraw/zinc/73/20/39/556732039.db2.gz AWKSFCUWYRBYJJ-NRFANRHFSA-N 1 1 442.510 4.129 40 0 IIABMO O=C(N[C@H]1CCCOC1)c1cc(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000019292872 556732520 /nfs/dbraw/zinc/73/25/20/556732520.db2.gz XNNFHHKWGABGCX-INIZCTEOSA-N 1 1 438.355 4.270 40 0 IIABMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000019346385 556742926 /nfs/dbraw/zinc/74/29/26/556742926.db2.gz OACGNUUDTUDYCV-UHFFFAOYSA-N 1 1 438.597 4.314 40 0 IIABMO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000019348343 556743772 /nfs/dbraw/zinc/74/37/72/556743772.db2.gz XCKUKWZWCWOVRZ-DEOSSOPVSA-N 1 1 438.934 4.246 40 0 IIABMO Nc1cc([C@H]2CCC[N@@H+](Cc3coc4ccccc4c3=O)C2)nc2cc(-c3ccco3)nn21 ZINC000019375882 556751870 /nfs/dbraw/zinc/75/18/70/556751870.db2.gz HXWLWEJIJYBJMY-INIZCTEOSA-N 1 1 441.491 4.058 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400616 556753335 /nfs/dbraw/zinc/75/33/35/556753335.db2.gz LEHFGDXBKSYYEZ-DVECYGJZSA-N 1 1 443.576 4.470 40 0 IIABMO O=C(c1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019406404 556755187 /nfs/dbraw/zinc/75/51/87/556755187.db2.gz DIDSPULDSFFXPE-NRFANRHFSA-N 1 1 440.613 4.137 40 0 IIABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019448951 556758967 /nfs/dbraw/zinc/75/89/67/556758967.db2.gz UMIDYTSIFAOTBX-HHHXNRCGSA-N 1 1 428.580 4.493 40 0 IIABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019448931 556759030 /nfs/dbraw/zinc/75/90/30/556759030.db2.gz YOZWYDXMBPIONO-HHHXNRCGSA-N 1 1 428.580 4.493 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503358 556774981 /nfs/dbraw/zinc/77/49/81/556774981.db2.gz DTLQVJLELWSSDS-XMMPIXPASA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503358 556774982 /nfs/dbraw/zinc/77/49/82/556774982.db2.gz DTLQVJLELWSSDS-XMMPIXPASA-N 1 1 443.595 4.014 40 0 IIABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)c2sccn12 ZINC000019523097 556780571 /nfs/dbraw/zinc/78/05/71/556780571.db2.gz XPSGXEXYLXJWNG-MRXNPFEDSA-N 1 1 448.552 4.217 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)cn1 ZINC000019523375 556780741 /nfs/dbraw/zinc/78/07/41/556780741.db2.gz XIJCZTDGBULWPA-MHZLTWQESA-N 1 1 443.595 4.014 40 0 IIABMO COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592996 556829167 /nfs/dbraw/zinc/82/91/67/556829167.db2.gz DOBTWHIAGIMREV-SHQCIBLASA-N 1 1 429.564 4.465 40 0 IIABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019690892 556846890 /nfs/dbraw/zinc/84/68/90/556846890.db2.gz DARAGUPUYONULY-DEOSSOPVSA-N 1 1 434.971 4.483 40 0 IIABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019690892 556846893 /nfs/dbraw/zinc/84/68/93/556846893.db2.gz DARAGUPUYONULY-DEOSSOPVSA-N 1 1 434.971 4.483 40 0 IIABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000019691017 556846939 /nfs/dbraw/zinc/84/69/39/556846939.db2.gz RLISQFONJMSCAH-DEOSSOPVSA-N 1 1 444.583 4.003 40 0 IIABMO O=C1c2cccc3cccc(c32)C(=O)N1C/C=C\C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000068602808 556849084 /nfs/dbraw/zinc/84/90/84/556849084.db2.gz VZOBWDJMRLSEBD-UPHRSURJSA-N 1 1 445.950 4.468 40 0 IIABMO CC(C)c1ccc(C[N@H+]2Cc3cn(C)nc3[C@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000019701250 556861148 /nfs/dbraw/zinc/86/11/48/556861148.db2.gz CSXYDQQXIPHCSG-XMMPIXPASA-N 1 1 434.559 4.141 40 0 IIABMO CC(C)c1ccc(C[N@@H+]2Cc3cn(C)nc3[C@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000019701250 556861150 /nfs/dbraw/zinc/86/11/50/556861150.db2.gz CSXYDQQXIPHCSG-XMMPIXPASA-N 1 1 434.559 4.141 40 0 IIABMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c(C)n1 ZINC000019711163 556875218 /nfs/dbraw/zinc/87/52/18/556875218.db2.gz QDVHLXLWQSBDJT-XMMPIXPASA-N 1 1 435.547 4.321 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c(C)n1 ZINC000019711163 556875221 /nfs/dbraw/zinc/87/52/21/556875221.db2.gz QDVHLXLWQSBDJT-XMMPIXPASA-N 1 1 435.547 4.321 40 0 IIABMO COc1ccc2c(c1)c([C@@H](O)C[N@H+]1CCC[C@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000072343229 556915012 /nfs/dbraw/zinc/91/50/12/556915012.db2.gz NYJGQVOZZSASPR-UKILVPOCSA-N 1 1 426.532 4.042 40 0 IIABMO O=C(NCCO)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000072352278 556923610 /nfs/dbraw/zinc/92/36/10/556923610.db2.gz PHTFFOPOYVCMJK-GOSISDBHSA-N 1 1 431.561 4.161 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)n1 ZINC000072353272 556926351 /nfs/dbraw/zinc/92/63/51/556926351.db2.gz MSBQCORBBOECAM-GOSISDBHSA-N 1 1 434.519 4.189 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)n1 ZINC000072353272 556926353 /nfs/dbraw/zinc/92/63/53/556926353.db2.gz MSBQCORBBOECAM-GOSISDBHSA-N 1 1 434.519 4.189 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370656 556935870 /nfs/dbraw/zinc/93/58/70/556935870.db2.gz YGYWJDNGOVXJJC-GOSISDBHSA-N 1 1 438.597 4.084 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370656 556935873 /nfs/dbraw/zinc/93/58/73/556935873.db2.gz YGYWJDNGOVXJJC-GOSISDBHSA-N 1 1 438.597 4.084 40 0 IIABMO CC(C)[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372259 556941887 /nfs/dbraw/zinc/94/18/87/556941887.db2.gz RIOXGTKHLKPXFC-VWLOTQADSA-N 1 1 449.639 4.368 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(CC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000072374869 556949457 /nfs/dbraw/zinc/94/94/57/556949457.db2.gz WZNCZNWOPUNTPS-LJQANCHMSA-N 1 1 448.546 4.498 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(Nc4ncccn4)cc(C)n3)C1)OCCO2 ZINC000072375040 556950339 /nfs/dbraw/zinc/95/03/39/556950339.db2.gz MLCYNJKNOIMBTA-SFHVURJKSA-N 1 1 447.539 4.083 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1 ZINC000072375038 556950504 /nfs/dbraw/zinc/95/05/04/556950504.db2.gz VTHOUXAQCHNVKO-NRFANRHFSA-N 1 1 432.572 4.196 40 0 IIABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)s1 ZINC000072375658 556952201 /nfs/dbraw/zinc/95/22/01/556952201.db2.gz KRNCKTUZQLKVNZ-GOSISDBHSA-N 1 1 434.569 4.118 40 0 IIABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(-c5cccc(F)c5)cc4)C[C@H]32)c(OC)n1 ZINC000072392627 556963882 /nfs/dbraw/zinc/96/38/82/556963882.db2.gz ZOXFPLAWPIGCEG-VAPDBKPJSA-N 1 1 449.526 4.030 40 0 IIABMO C=Cn1cc(C[N@@H+]2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)OCC)C2)c(C)n1 ZINC000072394090 556965683 /nfs/dbraw/zinc/96/56/83/556965683.db2.gz YBXWKLFYZNDULE-VWLOTQADSA-N 1 1 434.540 4.335 40 0 IIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC000020039230 556971316 /nfs/dbraw/zinc/97/13/16/556971316.db2.gz HSOCHOQVWBUVMJ-KNQAVFIVSA-N 1 1 435.568 4.080 40 0 IIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC000020039233 556971453 /nfs/dbraw/zinc/97/14/53/556971453.db2.gz HSOCHOQVWBUVMJ-UGKGYDQZSA-N 1 1 435.568 4.080 40 0 IIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)C1 ZINC000020047114 556973595 /nfs/dbraw/zinc/97/35/95/556973595.db2.gz UBPANXVIGFKYCW-HXUWFJFHSA-N 1 1 442.563 4.496 40 0 IIABMO COc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022942433 557053758 /nfs/dbraw/zinc/05/37/58/557053758.db2.gz RDCSYUUFJGEHPJ-UHFFFAOYSA-N 1 1 427.770 4.341 40 0 IIABMO CC(C)n1c2cc(C(=O)N3CC[NH+](C(C)C)CC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096037403 557164874 /nfs/dbraw/zinc/16/48/74/557164874.db2.gz ZHGNCYRHPPZQAT-UHFFFAOYSA-N 1 1 430.556 4.122 40 0 IIABMO COc1cccc(-c2ccc3cc(C(=O)N4CCC[N@@H+](C)CC4)c(-c4cocn4)n3c2)c1 ZINC000096155543 557180045 /nfs/dbraw/zinc/18/00/45/557180045.db2.gz BMOILTLEGSYAIL-UHFFFAOYSA-N 1 1 430.508 4.048 40 0 IIABMO CCc1ccccc1NC(=O)N1CCC2(C[N@H+](CC(C)C)C[C@@]23CCN(CC)C3=O)CC1 ZINC000096262782 557190237 /nfs/dbraw/zinc/19/02/37/557190237.db2.gz BDPWTGAIYBISLR-AREMUKBSSA-N 1 1 440.632 4.073 40 0 IIABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261679 557195485 /nfs/dbraw/zinc/19/54/85/557195485.db2.gz FJXOXGHIKHBOBS-AHKZPQOWSA-N 1 1 445.538 4.438 40 0 IIABMO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000585262117 557200976 /nfs/dbraw/zinc/20/09/76/557200976.db2.gz RROSPDAVBWWIFA-ZONZVBGPSA-N 1 1 439.603 4.312 40 0 IIABMO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000025540847 557213824 /nfs/dbraw/zinc/21/38/24/557213824.db2.gz LRLXUQCQYHLPOQ-DXHOUVOYSA-N 1 1 427.497 4.023 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585270396 557214268 /nfs/dbraw/zinc/21/42/68/557214268.db2.gz CHRLZKUZDUBACY-SANMLTNESA-N 1 1 435.568 4.067 40 0 IIABMO Cc1nccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585274264 557218344 /nfs/dbraw/zinc/21/83/44/557218344.db2.gz UWSCTYZVTPNSAY-AREMUKBSSA-N 1 1 435.568 4.067 40 0 IIABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C1 ZINC000585280237 557219805 /nfs/dbraw/zinc/21/98/05/557219805.db2.gz KFYKXGYQEFMWFD-DEOSSOPVSA-N 1 1 441.959 4.021 40 0 IIABMO COc1cc(C[N@@H+](C)[C@@H](C)CO)ccc1OCc1c(C)nn(-c2ccccc2)c1Cl ZINC000585294372 557234276 /nfs/dbraw/zinc/23/42/76/557234276.db2.gz QJKDBXVDODATSG-INIZCTEOSA-N 1 1 429.948 4.234 40 0 IIABMO Fc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928602 557271883 /nfs/dbraw/zinc/27/18/83/557271883.db2.gz DLXGHGLUFUFGCM-DEOSSOPVSA-N 1 1 434.563 4.225 40 0 IIABMO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222600312 557359544 /nfs/dbraw/zinc/35/95/44/557359544.db2.gz HPLDXQJDVYWQIP-QGZVFWFLSA-N 1 1 428.895 4.058 40 0 IIABMO CCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017097329 557478580 /nfs/dbraw/zinc/47/85/80/557478580.db2.gz UGDZYBCQHFMILH-UHFFFAOYSA-N 1 1 431.005 4.275 40 0 IIABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000017103001 557491522 /nfs/dbraw/zinc/49/15/22/557491522.db2.gz ZRNQYXCKHLMGLZ-UHFFFAOYSA-N 1 1 438.984 4.372 40 0 IIABMO O=C(CSCc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224751145 557647580 /nfs/dbraw/zinc/64/75/80/557647580.db2.gz YWLAAEHSUNEKRO-UHFFFAOYSA-N 1 1 439.408 4.375 40 0 IIABMO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000224790199 557651678 /nfs/dbraw/zinc/65/16/78/557651678.db2.gz RTYGTWWLWGBADC-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO COc1ccc(-c2nnc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000225728053 557769525 /nfs/dbraw/zinc/76/95/25/557769525.db2.gz YQMLGRHHVDRPRG-KRWDZBQOSA-N 1 1 426.517 4.204 40 0 IIABMO COc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000225903748 557789995 /nfs/dbraw/zinc/78/99/95/557789995.db2.gz GDKHAYXRDCCTHU-LJQANCHMSA-N 1 1 446.975 4.236 40 0 IIABMO COc1cccc2c1OC1(CC[NH+](Cc3nc4ccccc4n3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257204112 568666968 /nfs/dbraw/zinc/66/69/68/568666968.db2.gz ATBYRWGVZDBSRW-YADARESESA-N 1 1 433.552 4.477 40 0 IIABMO Cc1nc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257251284 568689089 /nfs/dbraw/zinc/68/90/89/568689089.db2.gz JQCLQOBYFYAQEO-OAQYLSRUSA-N 1 1 432.543 4.446 40 0 IIABMO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2F)C1 ZINC000257266862 568696214 /nfs/dbraw/zinc/69/62/14/568696214.db2.gz MEWRNPBFAJQDLQ-KRWDZBQOSA-N 1 1 427.545 4.074 40 0 IIABMO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2F)C1 ZINC000257266862 568696216 /nfs/dbraw/zinc/69/62/16/568696216.db2.gz MEWRNPBFAJQDLQ-KRWDZBQOSA-N 1 1 427.545 4.074 40 0 IIABMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)s1 ZINC000257267434 568696497 /nfs/dbraw/zinc/69/64/97/568696497.db2.gz MHHOULFTLPSYSA-JOCHJYFZSA-N 1 1 437.613 4.264 40 0 IIABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)s1 ZINC000257267434 568696498 /nfs/dbraw/zinc/69/64/98/568696498.db2.gz MHHOULFTLPSYSA-JOCHJYFZSA-N 1 1 437.613 4.264 40 0 IIABMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)s1 ZINC000257267435 568696528 /nfs/dbraw/zinc/69/65/28/568696528.db2.gz MHHOULFTLPSYSA-QFIPXVFZSA-N 1 1 437.613 4.264 40 0 IIABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)s1 ZINC000257267435 568696529 /nfs/dbraw/zinc/69/65/29/568696529.db2.gz MHHOULFTLPSYSA-QFIPXVFZSA-N 1 1 437.613 4.264 40 0 IIABMO COc1cccc(OCCc2cc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)n[nH]2)c1 ZINC000257278354 568701499 /nfs/dbraw/zinc/70/14/99/568701499.db2.gz OBXWHAUYTUNBBW-AREMUKBSSA-N 1 1 444.535 4.162 40 0 IIABMO COc1cccc(OCCc2cc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)c1 ZINC000257278354 568701501 /nfs/dbraw/zinc/70/15/01/568701501.db2.gz OBXWHAUYTUNBBW-AREMUKBSSA-N 1 1 444.535 4.162 40 0 IIABMO COc1cccc(OCCc2cc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)c1 ZINC000257278354 568701503 /nfs/dbraw/zinc/70/15/03/568701503.db2.gz OBXWHAUYTUNBBW-AREMUKBSSA-N 1 1 444.535 4.162 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257279635 568701950 /nfs/dbraw/zinc/70/19/50/568701950.db2.gz OHMLJBUXSLSBDX-NRFANRHFSA-N 1 1 436.600 4.083 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257279636 568702269 /nfs/dbraw/zinc/70/22/69/568702269.db2.gz OHMLJBUXSLSBDX-OAQYLSRUSA-N 1 1 436.600 4.083 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)cc1 ZINC000257294955 568708854 /nfs/dbraw/zinc/70/88/54/568708854.db2.gz QWKKHBLPVHOPDE-FQEVSTJZSA-N 1 1 448.542 4.412 40 0 IIABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000257314753 568717612 /nfs/dbraw/zinc/71/76/12/568717612.db2.gz UYHVVUQUZDMBIG-IBGZPJMESA-N 1 1 449.624 4.248 40 0 IIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000257315557 568717998 /nfs/dbraw/zinc/71/79/98/568717998.db2.gz VBXNGXPNAAQKQX-NRFANRHFSA-N 1 1 430.951 4.334 40 0 IIABMO CC(C)CN1C(=O)CCC[C@]12C[N@@H+](Cc1ccnc(N3CCCC3)n1)C[C@H]2c1ccccc1 ZINC000257336698 568727392 /nfs/dbraw/zinc/72/73/92/568727392.db2.gz YPQDXNOSIURYJC-RPLLCQBOSA-N 1 1 447.627 4.084 40 0 IIABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@H+](Cc5scnc5C)CCN4C)cn32)cc1 ZINC000306132175 568767102 /nfs/dbraw/zinc/76/71/02/568767102.db2.gz LAVPCRIYJKTFFE-QFIPXVFZSA-N 1 1 433.581 4.264 40 0 IIABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](Cc5scnc5C)CCN4C)cn32)cc1 ZINC000306132175 568767104 /nfs/dbraw/zinc/76/71/04/568767104.db2.gz LAVPCRIYJKTFFE-QFIPXVFZSA-N 1 1 433.581 4.264 40 0 IIABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000328984936 568808654 /nfs/dbraw/zinc/80/86/54/568808654.db2.gz HQWFGFKENZWZES-SFHVURJKSA-N 1 1 438.494 4.490 40 0 IIABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 ZINC000001367502 568898176 /nfs/dbraw/zinc/89/81/76/568898176.db2.gz XRADNBCJQKKTBE-HXUWFJFHSA-N 1 1 447.591 4.223 40 0 IIABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 ZINC000001367502 568898177 /nfs/dbraw/zinc/89/81/77/568898177.db2.gz XRADNBCJQKKTBE-HXUWFJFHSA-N 1 1 447.591 4.223 40 0 IIABMO COCCn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)ccc21 ZINC000257198981 568921745 /nfs/dbraw/zinc/92/17/45/568921745.db2.gz NXJGYADPPJAYQP-UHCVVMIDSA-N 1 1 433.596 4.323 40 0 IIABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000247965068 569206668 /nfs/dbraw/zinc/20/66/68/569206668.db2.gz ZAQIDBMUUHVOHB-JFSTXAPLSA-N 1 1 438.616 4.363 40 0 IIABMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 ZINC000248194488 569207518 /nfs/dbraw/zinc/20/75/18/569207518.db2.gz OBWPIEQNTSOJDY-BHYGNILZSA-N 1 1 443.558 4.311 40 0 IIABMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 ZINC000248194488 569207520 /nfs/dbraw/zinc/20/75/20/569207520.db2.gz OBWPIEQNTSOJDY-BHYGNILZSA-N 1 1 443.558 4.311 40 0 IIABMO C[C@@H](C[N@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456131 569226706 /nfs/dbraw/zinc/22/67/06/569226706.db2.gz CWEQXDYGNOMOSU-RBBKRZOGSA-N 1 1 430.600 4.460 40 0 IIABMO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000019551757 569227009 /nfs/dbraw/zinc/22/70/09/569227009.db2.gz PFLPYMVRCNCHSB-LAUBAEHRSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000019551757 569227011 /nfs/dbraw/zinc/22/70/11/569227011.db2.gz PFLPYMVRCNCHSB-LAUBAEHRSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC000019552181 569227032 /nfs/dbraw/zinc/22/70/32/569227032.db2.gz PMBSDMZFIWCRCJ-HBMCJLEFSA-N 1 1 427.541 4.498 40 0 IIABMO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000019551755 569227069 /nfs/dbraw/zinc/22/70/69/569227069.db2.gz PFLPYMVRCNCHSB-DYESRHJHSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000019551755 569227071 /nfs/dbraw/zinc/22/70/71/569227071.db2.gz PFLPYMVRCNCHSB-DYESRHJHSA-N 1 1 440.544 4.069 40 0 IIABMO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000019713884 569235747 /nfs/dbraw/zinc/23/57/47/569235747.db2.gz RYDDAOXSVSIYEZ-ZSQFBXSQSA-N 1 1 429.564 4.488 40 0 IIABMO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019739235 569236583 /nfs/dbraw/zinc/23/65/83/569236583.db2.gz ZQDQQLRQIKMJSW-RUZDIDTESA-N 1 1 425.573 4.300 40 0 IIABMO CNc1cc(CN(C)Cc2cccc(-c3cccc(OC)c3)c2)nc(C2CC[NH2+]CC2)n1 ZINC000019710170 569327560 /nfs/dbraw/zinc/32/75/60/569327560.db2.gz IXEOJSQPTQTOTL-UHFFFAOYSA-N 1 1 431.584 4.293 40 0 IIABMO O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000008863602 132296622 /nfs/dbraw/zinc/29/66/22/132296622.db2.gz PEHOABMBPKPZPH-UHFFFAOYSA-N 1 1 433.939 4.302 40 0 IIABMO CCOC(=O)c1cccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000035805789 521545791 /nfs/dbraw/zinc/54/57/91/521545791.db2.gz DBISAYQKMULERW-KKSHJYNMSA-N 1 1 439.625 4.455 40 0 IIABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(NC(C)=O)cc5)c43)C2)cc1 ZINC000020503518 524042859 /nfs/dbraw/zinc/04/28/59/524042859.db2.gz AURVBRUHCALTML-RBBKRZOGSA-N 1 1 443.547 4.102 40 0 biogenic,in-vitro IIABMO COc1ccc(C[N@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)c(OC)c1OC ZINC000012126491 524043523 /nfs/dbraw/zinc/04/35/23/524043523.db2.gz GMQMKWHYVSBZEA-UHFFFAOYSA-N 1 1 427.541 4.028 40 0 IIABMO C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)C1 ZINC000012239977 524086096 /nfs/dbraw/zinc/08/60/96/524086096.db2.gz IIXUJCPODISQKX-INIZCTEOSA-N 1 1 438.597 4.170 40 0 IIABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)C1 ZINC000012239977 524086100 /nfs/dbraw/zinc/08/61/00/524086100.db2.gz IIXUJCPODISQKX-INIZCTEOSA-N 1 1 438.597 4.170 40 0 IIABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1 ZINC000072348791 526751071 /nfs/dbraw/zinc/75/10/71/526751071.db2.gz AKPIQCWATLJANA-LJQANCHMSA-N 1 1 431.502 4.493 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000012157822 526873257 /nfs/dbraw/zinc/87/32/57/526873257.db2.gz DJXUQURBNQRDRV-OXJNMPFZSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000012157822 526873263 /nfs/dbraw/zinc/87/32/63/526873263.db2.gz DJXUQURBNQRDRV-OXJNMPFZSA-N 1 1 428.508 4.200 40 0 IIABMO Cn1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c2ccccc21 ZINC000035425794 527201503 /nfs/dbraw/zinc/20/15/03/527201503.db2.gz GLULTRKAVJWAAH-NRFANRHFSA-N 1 1 425.496 4.146 40 0 biogenic,in-vitro IIABMO COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)c(OC)c1OC ZINC000001611560 555705952 /nfs/dbraw/zinc/70/59/52/555705952.db2.gz PZQFCJYFEVRMMG-NBCYMOSYSA-N 1 1 441.524 4.414 40 0 IIABMO O=C(Cc1ccccc1)N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000002129613 555746249 /nfs/dbraw/zinc/74/62/49/555746249.db2.gz VXOCOWBDBQLXEI-LMMKCTJWSA-N 1 1 433.807 4.323 40 0 IIABMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000002405738 556091438 /nfs/dbraw/zinc/09/14/38/556091438.db2.gz URXXWCUIYWGBRM-BQQUOAEZSA-N 1 1 436.552 4.339 40 0 IIABMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000002405738 556091443 /nfs/dbraw/zinc/09/14/43/556091443.db2.gz URXXWCUIYWGBRM-BQQUOAEZSA-N 1 1 436.552 4.339 40 0 IIABMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)[C@H]2C1 ZINC000013265839 556501427 /nfs/dbraw/zinc/50/14/27/556501427.db2.gz PXNZOYDODAWPJM-QUCCMNQESA-N 1 1 446.469 4.213 40 0 IIABMO O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030942140 556516301 /nfs/dbraw/zinc/51/63/01/556516301.db2.gz XTSOEJJPQUAFQW-NRFANRHFSA-N 1 1 446.526 4.001 40 0 IIABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000514290181 556626190 /nfs/dbraw/zinc/62/61/90/556626190.db2.gz UKEVVWVWGJBMAQ-IRLDBZIGSA-N 1 1 426.488 4.411 40 0 biogenic,in-vitro IIABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000514290181 556626191 /nfs/dbraw/zinc/62/61/91/556626191.db2.gz UKEVVWVWGJBMAQ-IRLDBZIGSA-N 1 1 426.488 4.411 40 0 biogenic,in-vitro IIABMO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000044851693 556670658 /nfs/dbraw/zinc/67/06/58/556670658.db2.gz FLNGXBGKBBGZHZ-HXUWFJFHSA-N 1 1 430.976 4.318 40 0 IIABMO COc1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(OC)c1OC ZINC000044882882 556674469 /nfs/dbraw/zinc/67/44/69/556674469.db2.gz RBXSQLPZGKSMDC-UHFFFAOYSA-N 1 1 446.547 4.201 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000019081939 556696819 /nfs/dbraw/zinc/69/68/19/556696819.db2.gz ZJQDQLLDDBJSPI-PGRDOPGGSA-N 1 1 425.573 4.214 40 0 IIABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257324552 556704905 /nfs/dbraw/zinc/70/49/05/556704905.db2.gz WPFNMLLVLPJYEA-SANMLTNESA-N 1 1 442.575 4.213 40 0 IIABMO Cc1cnn(CCCOc2ccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)c1 ZINC000257278752 556714574 /nfs/dbraw/zinc/71/45/74/556714574.db2.gz ODMZRXGOMBKWKQ-SANMLTNESA-N 1 1 435.568 4.067 40 0 IIABMO COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CCOCC2)c1 ZINC000257283237 556715243 /nfs/dbraw/zinc/71/52/43/556715243.db2.gz OXKNRCGXEMQTHQ-JOCHJYFZSA-N 1 1 440.559 4.051 40 0 IIABMO Fc1cccc(COc2ccccc2C[N@H+]2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257292476 556716323 /nfs/dbraw/zinc/71/63/23/556716323.db2.gz QLQXRPTVYVKXFU-OAQYLSRUSA-N 1 1 446.526 4.139 40 0 IIABMO O=C(c1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019347559 556743031 /nfs/dbraw/zinc/74/30/31/556743031.db2.gz OYBZBJUQHZMCAM-JOCHJYFZSA-N 1 1 438.547 4.380 40 0 IIABMO O=C(c1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019347557 556743166 /nfs/dbraw/zinc/74/31/66/556743166.db2.gz OYBZBJUQHZMCAM-QFIPXVFZSA-N 1 1 438.547 4.380 40 0 IIABMO O=C(N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400897 556753539 /nfs/dbraw/zinc/75/35/39/556753539.db2.gz VQJVJDVXNVGRDF-GMAHTHKFSA-N 1 1 435.568 4.255 40 0 IIABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(-c4ccccc4)cc2)C3)C[C@@H](C)O1 ZINC000019497595 556770401 /nfs/dbraw/zinc/77/04/01/556770401.db2.gz VQAXYGNMBLDPEQ-RTBURBONSA-N 1 1 430.552 4.021 40 0 IIABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(-c4ccccc4)cc2)C3)C[C@@H](C)O1 ZINC000019497595 556770403 /nfs/dbraw/zinc/77/04/03/556770403.db2.gz VQAXYGNMBLDPEQ-RTBURBONSA-N 1 1 430.552 4.021 40 0 IIABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500921 556772594 /nfs/dbraw/zinc/77/25/94/556772594.db2.gz BLAIEIVAYDMUCD-GJYPPUQNSA-N 1 1 435.494 4.317 40 0 IIABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500921 556772597 /nfs/dbraw/zinc/77/25/97/556772597.db2.gz BLAIEIVAYDMUCD-GJYPPUQNSA-N 1 1 435.494 4.317 40 0 IIABMO CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019503563 556775299 /nfs/dbraw/zinc/77/52/99/556775299.db2.gz KDIIEAGAOVDXHO-MHZLTWQESA-N 1 1 428.580 4.495 40 0 IIABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019522025 556778972 /nfs/dbraw/zinc/77/89/72/556778972.db2.gz GXLXWFYYHWIXAO-CQSZACIVSA-N 1 1 434.466 4.040 40 0 IIABMO CC[N@@H+](Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1)Cc1ccccc1 ZINC000019526651 556785176 /nfs/dbraw/zinc/78/51/76/556785176.db2.gz UKGHLAJGTHHSMW-UHFFFAOYSA-N 1 1 431.584 4.486 40 0 IIABMO CCOC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000001358914 556785914 /nfs/dbraw/zinc/78/59/14/556785914.db2.gz HVFOVXROZDRQKL-UHFFFAOYSA-N 1 1 440.931 4.211 40 0 IIABMO CCN1CC[N@@H+](Cc2cccc(OC)c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527711 556787015 /nfs/dbraw/zinc/78/70/15/556787015.db2.gz MXHNWBUDCZTQRA-DEOSSOPVSA-N 1 1 429.564 4.280 40 0 IIABMO CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000019528761 556789114 /nfs/dbraw/zinc/78/91/14/556789114.db2.gz ZYVZWKWNLXRASP-VWLOTQADSA-N 1 1 436.625 4.418 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(=O)NC)C2)cc1 ZINC000019533227 556793412 /nfs/dbraw/zinc/79/34/12/556793412.db2.gz XMTGHBCDYPKGGW-HHHXNRCGSA-N 1 1 444.579 4.113 40 0 IIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001378306 556795225 /nfs/dbraw/zinc/79/52/25/556795225.db2.gz FCLWJWQHEJIHNM-QFIPXVFZSA-N 1 1 436.531 4.494 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019555485 556798317 /nfs/dbraw/zinc/79/83/17/556798317.db2.gz XFVSQQMHWDZBBN-HJOGWXRNSA-N 1 1 433.577 4.282 40 0 IIABMO Cc1nc(C)c(C(=O)N2C[C@H](c3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCCC[C@H]32)s1 ZINC000019560162 556801789 /nfs/dbraw/zinc/80/17/89/556801789.db2.gz XEVONQDFNXPPDT-DNVJHFABSA-N 1 1 439.625 4.391 40 0 IIABMO CC[C@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@H+]1CC ZINC000004217040 556821320 /nfs/dbraw/zinc/82/13/20/556821320.db2.gz AELTZOPKAFPBLU-UWJYYQICSA-N 1 1 428.646 4.104 40 0 IIABMO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593230 556829859 /nfs/dbraw/zinc/82/98/59/556829859.db2.gz IHUNIWWLXUFKNK-HTAPYJJXSA-N 1 1 436.383 4.494 40 0 IIABMO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593230 556829862 /nfs/dbraw/zinc/82/98/62/556829862.db2.gz IHUNIWWLXUFKNK-HTAPYJJXSA-N 1 1 436.383 4.494 40 0 IIABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019690893 556846969 /nfs/dbraw/zinc/84/69/69/556846969.db2.gz DARAGUPUYONULY-XMMPIXPASA-N 1 1 434.971 4.483 40 0 IIABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)n1 ZINC000019690893 556846970 /nfs/dbraw/zinc/84/69/70/556846970.db2.gz DARAGUPUYONULY-XMMPIXPASA-N 1 1 434.971 4.483 40 0 IIABMO CC(C)c1ccc(C[N@H+]2Cc3cn(C)nc3[C@@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000019701251 556861266 /nfs/dbraw/zinc/86/12/66/556861266.db2.gz CSXYDQQXIPHCSG-DEOSSOPVSA-N 1 1 434.559 4.141 40 0 IIABMO CC(C)c1ccc(C[N@@H+]2Cc3cn(C)nc3[C@@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000019701251 556861271 /nfs/dbraw/zinc/86/12/71/556861271.db2.gz CSXYDQQXIPHCSG-DEOSSOPVSA-N 1 1 434.559 4.141 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)nc2c1CCC(=O)N2C ZINC000019741322 556883374 /nfs/dbraw/zinc/88/33/74/556883374.db2.gz MRFACWPLLWPNAR-SFHVURJKSA-N 1 1 432.572 4.004 40 0 IIABMO Cc1nc([C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)nc2c1CCC(=O)N2C ZINC000019741322 556883378 /nfs/dbraw/zinc/88/33/78/556883378.db2.gz MRFACWPLLWPNAR-SFHVURJKSA-N 1 1 432.572 4.004 40 0 IIABMO CC(C)Nc1[nH]nc2nc([C@@H]3CCCN(C(=O)CCC[NH+]4CCCCCC4)C3)ccc21 ZINC000019742265 556886122 /nfs/dbraw/zinc/88/61/22/556886122.db2.gz PJTBEHIASXQDGL-LJQANCHMSA-N 1 1 426.609 4.140 40 0 IIABMO CN(C)C(=O)c1cc([C@@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)nc2ccccc21 ZINC000019759456 556903132 /nfs/dbraw/zinc/90/31/32/556903132.db2.gz TUYWZSFREOLJAI-DEOSSOPVSA-N 1 1 426.520 4.058 40 0 IIABMO CN(C)C(=O)c1cc([C@@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)nc2ccccc21 ZINC000019759456 556903136 /nfs/dbraw/zinc/90/31/36/556903136.db2.gz TUYWZSFREOLJAI-DEOSSOPVSA-N 1 1 426.520 4.058 40 0 IIABMO CC(C)c1ncc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 ZINC000072341930 556914429 /nfs/dbraw/zinc/91/44/29/556914429.db2.gz NDJVEHUUENOSKK-QUCCMNQESA-N 1 1 432.490 4.355 40 0 IIABMO CC(C)c1ncc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 ZINC000072341930 556914432 /nfs/dbraw/zinc/91/44/32/556914432.db2.gz NDJVEHUUENOSKK-QUCCMNQESA-N 1 1 432.490 4.355 40 0 IIABMO COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072352826 556925236 /nfs/dbraw/zinc/92/52/36/556925236.db2.gz UZVUPAXXMSDLQX-FQEVSTJZSA-N 1 1 434.584 4.395 40 0 IIABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC000072370433 556934815 /nfs/dbraw/zinc/93/48/15/556934815.db2.gz GZTKDKOXDVGJMO-GOSISDBHSA-N 1 1 438.597 4.170 40 0 IIABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@@H+](CCOc4ccccc4F)C3)[nH]n2)cc1F ZINC000072371704 556940487 /nfs/dbraw/zinc/94/04/87/556940487.db2.gz ZIRJIOCAZKARRA-MRXNPFEDSA-N 1 1 431.458 4.317 40 0 IIABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@H+](CCOc4ccccc4F)C3)n[nH]2)cc1F ZINC000072371704 556940489 /nfs/dbraw/zinc/94/04/89/556940489.db2.gz ZIRJIOCAZKARRA-MRXNPFEDSA-N 1 1 431.458 4.317 40 0 IIABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@@H+](CCOc4ccccc4F)C3)n[nH]2)cc1F ZINC000072371704 556940490 /nfs/dbraw/zinc/94/04/90/556940490.db2.gz ZIRJIOCAZKARRA-MRXNPFEDSA-N 1 1 431.458 4.317 40 0 IIABMO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1ccccc1 ZINC000585110041 557042601 /nfs/dbraw/zinc/04/26/01/557042601.db2.gz ARCIQXTWSFRTPU-DNQXCXABSA-N 1 1 425.532 4.110 40 0 IIABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000008831729 557175468 /nfs/dbraw/zinc/17/54/68/557175468.db2.gz NFFNSMZQXIGYBX-RUDMXATFSA-N 1 1 449.407 4.272 40 0 IIABMO O=C(Nc1ccccc1F)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155952 557180452 /nfs/dbraw/zinc/18/04/52/557180452.db2.gz JETWDHHMVQKXPK-UHFFFAOYSA-N 1 1 429.499 4.048 40 0 IIABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585261666 557195371 /nfs/dbraw/zinc/19/53/71/557195371.db2.gz YQCOONUVOSPIAF-CZYKHXBRSA-N 1 1 446.975 4.246 40 0 IIABMO CCc1nccn1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3ccc(C(C)C)cc3)C2)cc1 ZINC000585268839 557210208 /nfs/dbraw/zinc/21/02/08/557210208.db2.gz RQEQHHDZQXXLAL-UIOOFZCWSA-N 1 1 449.595 4.272 40 0 IIABMO CCc1nccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585273530 557215830 /nfs/dbraw/zinc/21/58/30/557215830.db2.gz PDDQNBKOFNHVDZ-MHZLTWQESA-N 1 1 449.595 4.321 40 0 IIABMO O=C(c1cccc(N2CCCC2=O)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000219210072 557231485 /nfs/dbraw/zinc/23/14/85/557231485.db2.gz HMIFIKKXCBDKEW-UHFFFAOYSA-N 1 1 439.559 4.361 40 0 IIABMO CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000219423487 557244373 /nfs/dbraw/zinc/24/43/73/557244373.db2.gz GHVRBSMLGQJIMO-UHFFFAOYSA-N 1 1 442.922 4.400 40 0 IIABMO CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000100658086 557268455 /nfs/dbraw/zinc/26/84/55/557268455.db2.gz GOQOOLMUGPAJEN-KDURUIRLSA-N 1 1 438.597 4.246 40 0 IIABMO CSc1nnc(C2CC[NH+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1C ZINC000013565119 557341999 /nfs/dbraw/zinc/34/19/99/557341999.db2.gz VJTAVMZJFCETRQ-UHFFFAOYSA-N 1 1 437.569 4.147 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344799 557377069 /nfs/dbraw/zinc/37/70/69/557377069.db2.gz PZRBWIMCHHQYLV-QFIPXVFZSA-N 1 1 432.568 4.460 40 0 IIABMO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225573707 557745242 /nfs/dbraw/zinc/74/52/42/557745242.db2.gz MFCARPCREFFIGI-INIZCTEOSA-N 1 1 434.939 4.283 40 0 IIABMO COc1ccc(-c2nnsc2C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000225887877 557788922 /nfs/dbraw/zinc/78/89/22/557788922.db2.gz YJUAXZPAYIAYTR-UHFFFAOYSA-N 1 1 439.928 4.257 40 0 IIABMO COCCOc1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585270523 568616893 /nfs/dbraw/zinc/61/68/93/568616893.db2.gz LOWYWAWYXIQXJM-SANMLTNESA-N 1 1 443.584 4.133 40 0 IIABMO COc1ccc(C(C)C)cc1S(=O)(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000223014553 568626660 /nfs/dbraw/zinc/62/66/60/568626660.db2.gz NATCHITXNJOSAX-UHFFFAOYSA-N 1 1 433.961 4.411 40 0 IIABMO Cn1nc([C@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257202352 568666137 /nfs/dbraw/zinc/66/61/37/568666137.db2.gz ALJUQNOFTQJLKJ-XMMPIXPASA-N 1 1 425.960 4.311 40 0 IIABMO Cn1nc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257202352 568666138 /nfs/dbraw/zinc/66/61/38/568666138.db2.gz ALJUQNOFTQJLKJ-XMMPIXPASA-N 1 1 425.960 4.311 40 0 IIABMO COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CC[N@@H+](C[C@@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233306 568680779 /nfs/dbraw/zinc/68/07/79/568680779.db2.gz GOROOYLGGDRCNH-FYYLOGMGSA-N 1 1 448.611 4.107 40 0 IIABMO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccc(F)cc1 ZINC000257242074 568684661 /nfs/dbraw/zinc/68/46/61/568684661.db2.gz IAZWWJXZGBBTHC-QFIPXVFZSA-N 1 1 425.479 4.339 40 0 IIABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccc(F)cc1 ZINC000257242074 568684662 /nfs/dbraw/zinc/68/46/62/568684662.db2.gz IAZWWJXZGBBTHC-QFIPXVFZSA-N 1 1 425.479 4.339 40 0 IIABMO CCc1ccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)cc1 ZINC000257257329 568692203 /nfs/dbraw/zinc/69/22/03/568692203.db2.gz KPCFROITENWNOM-VWLOTQADSA-N 1 1 445.611 4.457 40 0 IIABMO CCc1ccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)cc1 ZINC000257257329 568692206 /nfs/dbraw/zinc/69/22/06/568692206.db2.gz KPCFROITENWNOM-VWLOTQADSA-N 1 1 445.611 4.457 40 0 IIABMO Cc1cc(N(C)C)nc([C@@]2(C)CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257269776 568697358 /nfs/dbraw/zinc/69/73/58/568697358.db2.gz MRIMSSNMSVOZTL-SANMLTNESA-N 1 1 431.584 4.379 40 0 IIABMO Cc1ccc(N2C[C@]3(CCN(Cc4ccccc4OCC[NH+]4CCCC4)C3)OC2=O)cc1 ZINC000257277777 568701072 /nfs/dbraw/zinc/70/10/72/568701072.db2.gz NZIAPIXHDVRQJY-AREMUKBSSA-N 1 1 435.568 4.071 40 0 IIABMO Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4n[nH]c5c4CCCCC5)CCO3)c2)n1 ZINC000257305910 568713888 /nfs/dbraw/zinc/71/38/88/568713888.db2.gz SSAYZIURHGNANX-JOCHJYFZSA-N 1 1 446.555 4.043 40 0 IIABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCCC4)CCO2)[nH+]1 ZINC000257310035 568715454 /nfs/dbraw/zinc/71/54/54/568715454.db2.gz UDLCWJCAQFTRHV-JOCHJYFZSA-N 1 1 446.555 4.043 40 0 IIABMO Cc1cccc2nc(C(=O)N3[C@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[N@H+]4C)cn21 ZINC000257312582 568716578 /nfs/dbraw/zinc/71/65/78/568716578.db2.gz UOPUZYFNWDABJP-PFGYYQCGSA-N 1 1 428.580 4.341 40 0 IIABMO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]3c3cccc(-n4cc[nH+]c4C)n3)cc2)n1 ZINC000257318701 568719446 /nfs/dbraw/zinc/71/94/46/568719446.db2.gz VPAIYZYNAYSXQP-XMMPIXPASA-N 1 1 440.551 4.415 40 0 IIABMO COc1ccc(NC(=O)C[NH+]2CCC(c3cccc(Nc4nc(C)cs4)n3)CC2)cc1 ZINC000257319987 568719845 /nfs/dbraw/zinc/71/98/45/568719845.db2.gz VUWPTUCXAQSIFY-UHFFFAOYSA-N 1 1 437.569 4.417 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257330564 568724657 /nfs/dbraw/zinc/72/46/57/568724657.db2.gz XOYGGPSZWBEYBW-IBGZPJMESA-N 1 1 433.531 4.188 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257330691 568724700 /nfs/dbraw/zinc/72/47/00/568724700.db2.gz XPMURHJKHFMIBP-QFIPXVFZSA-N 1 1 436.600 4.037 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@@H]23)cc1 ZINC000306124297 568763195 /nfs/dbraw/zinc/76/31/95/568763195.db2.gz BMEVGTMXBBBJPZ-IXCJQBJRSA-N 1 1 441.575 4.425 40 0 IIABMO CC(C)n1cc(C[N@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306128230 568765149 /nfs/dbraw/zinc/76/51/49/568765149.db2.gz GUUHEQFOZGZRLA-QFIPXVFZSA-N 1 1 429.572 4.498 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306128657 568765416 /nfs/dbraw/zinc/76/54/16/568765416.db2.gz HHPSZKNTAUQUMF-JYFHCDHNSA-N 1 1 432.568 4.465 40 0 IIABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](Cc4cccnc4OC)C3)nn2c1 ZINC000306134377 568768377 /nfs/dbraw/zinc/76/83/77/568768377.db2.gz NLJULFOSRDFPQO-SFHVURJKSA-N 1 1 447.514 4.327 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000328964149 568807819 /nfs/dbraw/zinc/80/78/19/568807819.db2.gz BTLHCOIFSKRDSU-SFHVURJKSA-N 1 1 431.378 4.108 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000328964149 568807821 /nfs/dbraw/zinc/80/78/21/568807821.db2.gz BTLHCOIFSKRDSU-SFHVURJKSA-N 1 1 431.378 4.108 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198484 568921579 /nfs/dbraw/zinc/92/15/79/568921579.db2.gz AGZMFWWASXUXNB-XIUDZHQXSA-N 1 1 444.579 4.047 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198484 568921583 /nfs/dbraw/zinc/92/15/83/568921583.db2.gz AGZMFWWASXUXNB-XIUDZHQXSA-N 1 1 444.579 4.047 40 0 IIABMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198484 568921585 /nfs/dbraw/zinc/92/15/85/568921585.db2.gz AGZMFWWASXUXNB-XIUDZHQXSA-N 1 1 444.579 4.047 40 0 IIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000247973781 569206678 /nfs/dbraw/zinc/20/66/78/569206678.db2.gz BLAIEIVAYDMUCD-FRQCXROJSA-N 1 1 435.494 4.317 40 0 IIABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000247973781 569206679 /nfs/dbraw/zinc/20/66/79/569206679.db2.gz BLAIEIVAYDMUCD-FRQCXROJSA-N 1 1 435.494 4.317 40 0 IIABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000247965072 569206687 /nfs/dbraw/zinc/20/66/87/569206687.db2.gz ZAQIDBMUUHVOHB-VNHKHXMHSA-N 1 1 438.616 4.363 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000248152703 569207302 /nfs/dbraw/zinc/20/73/02/569207302.db2.gz UVHMCUBZXAOWPH-GEQKSPFYSA-N 1 1 443.538 4.144 40 0 IIABMO Cc1ccsc1C[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000253599042 569209124 /nfs/dbraw/zinc/20/91/24/569209124.db2.gz KFOLRBSZZKGQOJ-YLJYHZDGSA-N 1 1 438.597 4.130 40 0 IIABMO Cc1ccsc1C[N@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000253599042 569209125 /nfs/dbraw/zinc/20/91/25/569209125.db2.gz KFOLRBSZZKGQOJ-YLJYHZDGSA-N 1 1 438.597 4.130 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454986 569226619 /nfs/dbraw/zinc/22/66/19/569226619.db2.gz MMADUJRTUVNODE-NBGIEHNGSA-N 1 1 425.573 4.099 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000019702212 569231833 /nfs/dbraw/zinc/23/18/33/569231833.db2.gz GNSKIVMUFUBSNR-GOSISDBHSA-N 1 1 446.576 4.210 40 0 IIABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019702624 569232227 /nfs/dbraw/zinc/23/22/27/569232227.db2.gz WKPLSTNKBIDUDK-QGZVFWFLSA-N 1 1 449.555 4.312 40 0 IIABMO COc1ccc(C[N@@H+]2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1Cn1ccnc1C ZINC000019713917 569327802 /nfs/dbraw/zinc/32/78/02/569327802.db2.gz DVZVQPXPXWUZKE-ISJGIBHGSA-N 1 1 444.579 4.233 40 0 IIABMO CNc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000019760046 569328683 /nfs/dbraw/zinc/32/86/83/569328683.db2.gz CWQUCRSREWNMKU-QFIPXVFZSA-N 1 1 429.568 4.076 40 0 IIABMO CNc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000019760046 569328685 /nfs/dbraw/zinc/32/86/85/569328685.db2.gz CWQUCRSREWNMKU-QFIPXVFZSA-N 1 1 429.568 4.076 40 0 IIABMO Cc1cccc(C2(O)CC[NH+](Cc3nc(-c4ccc(-c5ccnc(C)n5)cc4)no3)CC2)c1 ZINC000012186121 524331969 /nfs/dbraw/zinc/33/19/69/524331969.db2.gz WTLXJYZVDKJYAT-UHFFFAOYSA-N 1 1 441.535 4.294 40 0 IIABMO COc1ccc([C@@H]2Sc3ccccc3N(CC[N@@H+](C)C(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000003802090 555946641 /nfs/dbraw/zinc/94/66/41/555946641.db2.gz VVZILLNNYUUOIY-PKTZIBPZSA-N 1 1 442.581 4.147 40 0 in-man IIABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O ZINC000408718083 556140297 /nfs/dbraw/zinc/14/02/97/556140297.db2.gz IHLVBGASYLXTOY-RVDMUPIBSA-N 1 1 444.338 4.407 40 0 IIABMO CCOC(=O)C1CC[NH+](c2ccc(NCc3cc4cc(CC)ccc4[nH]c3=O)cc2)CC1 ZINC000012088321 556401255 /nfs/dbraw/zinc/40/12/55/556401255.db2.gz BJHVSECBGSNSIN-UHFFFAOYSA-N 1 1 433.552 4.482 40 0 IIABMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000013265841 556501372 /nfs/dbraw/zinc/50/13/72/556501372.db2.gz AMBRLMROZHUPLJ-MJGOQNOKSA-N 1 1 432.442 4.171 40 0 IIABMO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038834602 556622800 /nfs/dbraw/zinc/62/28/00/556622800.db2.gz OGAZDNHDNVAPHI-UHFFFAOYSA-N 1 1 445.357 4.477 40 0 IIABMO COc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000514289245 556625489 /nfs/dbraw/zinc/62/54/89/556625489.db2.gz GQHJLZIKQCKRMF-WPFOTENUSA-N 1 1 428.598 4.130 40 0 biogenic,in-vitro IIABMO COc1cccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000514289245 556625491 /nfs/dbraw/zinc/62/54/91/556625491.db2.gz GQHJLZIKQCKRMF-WPFOTENUSA-N 1 1 428.598 4.130 40 0 biogenic,in-vitro IIABMO COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000514289952 556625756 /nfs/dbraw/zinc/62/57/56/556625756.db2.gz PYBSFDUEIOZUBC-SONWIMMPSA-N 1 1 436.577 4.253 40 0 biogenic,in-vitro IIABMO COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000514289952 556625761 /nfs/dbraw/zinc/62/57/61/556625761.db2.gz PYBSFDUEIOZUBC-SONWIMMPSA-N 1 1 436.577 4.253 40 0 biogenic,in-vitro IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000257233056 556709423 /nfs/dbraw/zinc/70/94/23/556709423.db2.gz GNNSVMFMTXJQBU-HSZRJFAPSA-N 1 1 431.536 4.083 40 0 IIABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@@H](O)COc3ccc(C)cc3C)cc2)n1 ZINC000257243250 556710663 /nfs/dbraw/zinc/71/06/63/556710663.db2.gz IGBCMLVOVQYHDB-XMMPIXPASA-N 1 1 437.584 4.067 40 0 IIABMO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257247943 556711264 /nfs/dbraw/zinc/71/12/64/556711264.db2.gz JBFXCRONTXOMHU-HSZRJFAPSA-N 1 1 447.558 4.498 40 0 IIABMO O=C(c1ccccc1C[NH+]1CCCCC1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257247943 556711266 /nfs/dbraw/zinc/71/12/66/556711266.db2.gz JBFXCRONTXOMHU-HSZRJFAPSA-N 1 1 447.558 4.498 40 0 IIABMO CC[N@H+]1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 ZINC000257251366 556711723 /nfs/dbraw/zinc/71/17/23/556711723.db2.gz JQLKXSGUOPCWRT-QHCPKHFHSA-N 1 1 436.596 4.302 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269384 556713538 /nfs/dbraw/zinc/71/35/38/556713538.db2.gz MPSPTACRODZUPH-GMAHTHKFSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269384 556713541 /nfs/dbraw/zinc/71/35/41/556713541.db2.gz MPSPTACRODZUPH-GMAHTHKFSA-N 1 1 448.485 4.484 40 0 IIABMO O=C1O[C@@]2(CC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccccc1 ZINC000257297846 556716995 /nfs/dbraw/zinc/71/69/95/556716995.db2.gz RIZVGMJUOMQSTA-AREMUKBSSA-N 1 1 429.520 4.258 40 0 IIABMO Cc1cccc(C[N@@H+]2CC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236140 556720792 /nfs/dbraw/zinc/72/07/92/556720792.db2.gz MSIGIGUTPKOZCE-HHHXNRCGSA-N 1 1 428.580 4.411 40 0 IIABMO O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019343222 556741163 /nfs/dbraw/zinc/74/11/63/556741163.db2.gz VKXYWTTWDUWZFC-OAQYLSRUSA-N 1 1 440.613 4.231 40 0 IIABMO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000000925797 556752835 /nfs/dbraw/zinc/75/28/35/556752835.db2.gz PXIRKOHHTBZWKQ-UHFFFAOYSA-N 1 1 442.567 4.206 40 0 IIABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000000925797 556752841 /nfs/dbraw/zinc/75/28/41/556752841.db2.gz PXIRKOHHTBZWKQ-UHFFFAOYSA-N 1 1 442.567 4.206 40 0 IIABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448403 556757885 /nfs/dbraw/zinc/75/78/85/556757885.db2.gz JEIGZGCNZOKSOD-LJQANCHMSA-N 1 1 440.613 4.256 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccc(F)cc4)[nH]c(=O)c3C2)CC1 ZINC000019496001 556768847 /nfs/dbraw/zinc/76/88/47/556768847.db2.gz JROFTVQXGDNICF-NZBFNNPHSA-N 1 1 438.547 4.235 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503360 556774932 /nfs/dbraw/zinc/77/49/32/556774932.db2.gz DTLQVJLELWSSDS-DEOSSOPVSA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503360 556774933 /nfs/dbraw/zinc/77/49/33/556774933.db2.gz DTLQVJLELWSSDS-DEOSSOPVSA-N 1 1 443.595 4.014 40 0 IIABMO CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019529189 556790605 /nfs/dbraw/zinc/79/06/05/556790605.db2.gz AZKMUCDFPQCGHE-MHZLTWQESA-N 1 1 443.595 4.233 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C1)CCC2 ZINC000019550530 556795400 /nfs/dbraw/zinc/79/54/00/556795400.db2.gz ZGBFEULRVBEJIB-NDEPHWFRSA-N 1 1 441.575 4.166 40 0 IIABMO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccccc4OC)C3)no2)cc1 ZINC000019555845 556798994 /nfs/dbraw/zinc/79/89/94/556798994.db2.gz QHNNPTYTWBIEGQ-LJQANCHMSA-N 1 1 435.524 4.001 40 0 IIABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccc(OC)cc4)C3)no2)cc1 ZINC000019555811 556799052 /nfs/dbraw/zinc/79/90/52/556799052.db2.gz RZGGVOXYGOWXSM-FQEVSTJZSA-N 1 1 435.524 4.001 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cc1OC ZINC000019560921 556802339 /nfs/dbraw/zinc/80/23/39/556802339.db2.gz XSFVYSWBGJHJJO-MHZLTWQESA-N 1 1 445.563 4.076 40 0 IIABMO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)no2)c1 ZINC000019565610 556806269 /nfs/dbraw/zinc/80/62/69/556806269.db2.gz KLKMBDSJJBLAOP-HXUWFJFHSA-N 1 1 435.524 4.001 40 0 IIABMO CC[NH+](CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1C)OCO3 ZINC000061887430 556812328 /nfs/dbraw/zinc/81/23/28/556812328.db2.gz FEMIEKUWTKIHRN-DXHOUVOYSA-N 1 1 429.513 4.269 40 0 IIABMO CC[C@@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@H+]1CC ZINC000004217043 556821331 /nfs/dbraw/zinc/82/13/31/556821331.db2.gz AELTZOPKAFPBLU-DYESRHJHSA-N 1 1 428.646 4.104 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584420 556821978 /nfs/dbraw/zinc/82/19/78/556821978.db2.gz WTARYLFPVVWYIU-IBGZPJMESA-N 1 1 433.556 4.001 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000019694840 556851081 /nfs/dbraw/zinc/85/10/81/556851081.db2.gz NYYLBVUWZMQCLL-HXUWFJFHSA-N 1 1 433.556 4.349 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000019694840 556851084 /nfs/dbraw/zinc/85/10/84/556851084.db2.gz NYYLBVUWZMQCLL-HXUWFJFHSA-N 1 1 433.556 4.349 40 0 IIABMO COc1ccccc1OCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758384 556902119 /nfs/dbraw/zinc/90/21/19/556902119.db2.gz XRIVUZIUCJVDEW-UHFFFAOYSA-N 1 1 438.572 4.008 40 0 IIABMO Cc1cc(C[NH+]2CCCCC2)oc1C(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000072324292 556902494 /nfs/dbraw/zinc/90/24/94/556902494.db2.gz NETNAEMXMSXEKM-IBGZPJMESA-N 1 1 438.524 4.038 40 0 IIABMO O=C1N[C@@]2(COC3(C2)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC3)Nc2ccccc21 ZINC000072325411 556902622 /nfs/dbraw/zinc/90/26/22/556902622.db2.gz SNCATRURHANVKC-QFIPXVFZSA-N 1 1 432.351 4.300 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352375 556923938 /nfs/dbraw/zinc/92/39/38/556923938.db2.gz KRYUMVJJGORDEX-HNNXBMFYSA-N 1 1 425.529 4.170 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352375 556923939 /nfs/dbraw/zinc/92/39/39/556923939.db2.gz KRYUMVJJGORDEX-HNNXBMFYSA-N 1 1 425.529 4.170 40 0 IIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)c2)cn1 ZINC000072353600 556927428 /nfs/dbraw/zinc/92/74/28/556927428.db2.gz USDOZQYCZSXUPX-NRFANRHFSA-N 1 1 430.552 4.200 40 0 IIABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 ZINC000072358523 556931865 /nfs/dbraw/zinc/93/18/65/556931865.db2.gz LMZQBAFJJGIFJO-GOSISDBHSA-N 1 1 432.490 4.354 40 0 IIABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCC1 ZINC000072370697 556935923 /nfs/dbraw/zinc/93/59/23/556935923.db2.gz ILTKDQURJRSHKO-SFHVURJKSA-N 1 1 427.614 4.059 40 0 IIABMO Cc1cc(N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)nc(C)[nH+]1 ZINC000072371422 556938722 /nfs/dbraw/zinc/93/87/22/556938722.db2.gz KNAFBIYWZNKHPF-MRXNPFEDSA-N 1 1 431.462 4.451 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)COc3ccccc3F)c2)n1 ZINC000072372588 556943154 /nfs/dbraw/zinc/94/31/54/556943154.db2.gz KJBSYVYXDRMKBX-NRFANRHFSA-N 1 1 435.503 4.422 40 0 IIABMO COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cs2)cc(C)[nH+]1 ZINC000072372716 556943769 /nfs/dbraw/zinc/94/37/69/556943769.db2.gz FXOHZMGHPJCSID-SFHVURJKSA-N 1 1 444.582 4.433 40 0 IIABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 ZINC000072374263 556947671 /nfs/dbraw/zinc/94/76/71/556947671.db2.gz DWXJKDITQUJJHO-SFHVURJKSA-N 1 1 432.572 4.330 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398576 556969956 /nfs/dbraw/zinc/96/99/56/556969956.db2.gz VJDMTAOEFWWAEZ-JPYJTQIMSA-N 1 1 425.573 4.214 40 0 IIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000585106540 557040314 /nfs/dbraw/zinc/04/03/14/557040314.db2.gz AGHZUOMYHJNPPY-MHZLTWQESA-N 1 1 428.580 4.335 40 0 IIABMO O=C(Cc1ccccc1)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12 ZINC000585110172 557043090 /nfs/dbraw/zinc/04/30/90/557043090.db2.gz RLXXATQGKSVEQK-RPBOFIJWSA-N 1 1 439.559 4.039 40 0 IIABMO COc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccccc1Cl ZINC000022942438 557053958 /nfs/dbraw/zinc/05/39/58/557053958.db2.gz DRRYOTLLJMOETI-UHFFFAOYSA-N 1 1 427.770 4.341 40 0 IIABMO COC(=O)c1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208868725 557094203 /nfs/dbraw/zinc/09/42/03/557094203.db2.gz JBBOEOVLWLPIEZ-XHIHJMKYSA-N 1 1 425.598 4.065 40 0 IIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+](C)C1CCCCC1 ZINC000006149580 557146411 /nfs/dbraw/zinc/14/64/11/557146411.db2.gz ZJGNJORENDPVFE-NRFANRHFSA-N 1 1 438.576 4.022 40 0 IIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+](C)C1CCCCC1 ZINC000006149580 557146412 /nfs/dbraw/zinc/14/64/12/557146412.db2.gz ZJGNJORENDPVFE-NRFANRHFSA-N 1 1 438.576 4.022 40 0 IIABMO O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000096319722 557199340 /nfs/dbraw/zinc/19/93/40/557199340.db2.gz RPGBCZRZMBQLPM-NRFANRHFSA-N 1 1 440.613 4.231 40 0 IIABMO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219241627 557232400 /nfs/dbraw/zinc/23/24/00/557232400.db2.gz BWKFAZMEWYPGPW-GOSISDBHSA-N 1 1 434.540 4.249 40 0 IIABMO C=COCCCNc1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000057743667 557258146 /nfs/dbraw/zinc/25/81/46/557258146.db2.gz LNBXYPROWVYDCB-UHFFFAOYSA-N 1 1 431.540 4.068 40 0 IIABMO C=COCCCNc1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000057743667 557258149 /nfs/dbraw/zinc/25/81/49/557258149.db2.gz LNBXYPROWVYDCB-UHFFFAOYSA-N 1 1 431.540 4.068 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2nc(N)ncc2-c2cccc(F)c2)cc1 ZINC000072376846 557388648 /nfs/dbraw/zinc/38/86/48/557388648.db2.gz BGIJRNXWFYIQFV-NRFANRHFSA-N 1 1 435.503 4.039 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2nc(N)ncc2-c2cccc(F)c2)cc1 ZINC000072376846 557388651 /nfs/dbraw/zinc/38/86/51/557388651.db2.gz BGIJRNXWFYIQFV-NRFANRHFSA-N 1 1 435.503 4.039 40 0 IIABMO COc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009349 557418103 /nfs/dbraw/zinc/41/81/03/557418103.db2.gz ZQRKJSORYHVKAZ-OAQYLSRUSA-N 1 1 430.548 4.396 40 0 IIABMO CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000017097330 557478567 /nfs/dbraw/zinc/47/85/67/557478567.db2.gz OFXXIFBOQLVJAP-UHFFFAOYSA-N 1 1 431.005 4.342 40 0 IIABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Cl ZINC000017101235 557490044 /nfs/dbraw/zinc/49/00/44/557490044.db2.gz IRRQSMZHPBEVIP-UHFFFAOYSA-N 1 1 437.396 4.180 40 0 IIABMO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000224095040 557559963 /nfs/dbraw/zinc/55/99/63/557559963.db2.gz MMJBBVFHBVTELE-UHFFFAOYSA-N 1 1 445.401 4.473 40 0 IIABMO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581424 557746533 /nfs/dbraw/zinc/74/65/33/557746533.db2.gz KALRNCPFCPUKNV-UHFFFAOYSA-N 1 1 431.939 4.470 40 0 IIABMO O=C(NCCCN1CCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585721 557747386 /nfs/dbraw/zinc/74/73/86/557747386.db2.gz XUIOUCQKGSOJPL-UHFFFAOYSA-N 1 1 429.967 4.260 40 0 IIABMO CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589965 557748714 /nfs/dbraw/zinc/74/87/14/557748714.db2.gz UCNHZWPQQZDPFV-UHFFFAOYSA-N 1 1 442.922 4.400 40 0 IIABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1cn2c3c(cccc3c1=O)CCC2 ZINC000225860392 557786133 /nfs/dbraw/zinc/78/61/33/557786133.db2.gz VCJGNGPTORDGSC-UHFFFAOYSA-N 1 1 446.938 4.381 40 0 IIABMO COc1ccc(C(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015675848 560095681 /nfs/dbraw/zinc/09/56/81/560095681.db2.gz BBVSECNBAFTYDW-IBGZPJMESA-N 1 1 435.871 4.062 40 0 biogenic,in-vitro IIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201500 568665815 /nfs/dbraw/zinc/66/58/15/568665815.db2.gz AHXQQVAKUYXRLP-XUZZJYLKSA-N 1 1 435.616 4.394 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257204940 568667601 /nfs/dbraw/zinc/66/76/01/568667601.db2.gz AWYWWHUREXNOIY-NRFANRHFSA-N 1 1 436.600 4.083 40 0 IIABMO Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257222540 568675495 /nfs/dbraw/zinc/67/54/95/568675495.db2.gz DTROUPFIERJCHY-SFHVURJKSA-N 1 1 439.629 4.244 40 0 IIABMO Cc1nc([C@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257251283 568688987 /nfs/dbraw/zinc/68/89/87/568688987.db2.gz JQCLQOBYFYAQEO-NRFANRHFSA-N 1 1 432.543 4.446 40 0 IIABMO Fc1cccc(Oc2cccc([C@@H]3CCC[N@@H+](Cc4ccnc(N5CCOCC5)n4)C3)n2)c1 ZINC000257256203 568691467 /nfs/dbraw/zinc/69/14/67/568691467.db2.gz KKLVLNULSUBMIZ-LJQANCHMSA-N 1 1 449.530 4.019 40 0 IIABMO COc1cccc(OCCc2cc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n[nH]2)c1 ZINC000257278355 568701381 /nfs/dbraw/zinc/70/13/81/568701381.db2.gz OBXWHAUYTUNBBW-SANMLTNESA-N 1 1 444.535 4.162 40 0 IIABMO COc1cccc(OCCc2cc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)c1 ZINC000257278355 568701383 /nfs/dbraw/zinc/70/13/83/568701383.db2.gz OBXWHAUYTUNBBW-SANMLTNESA-N 1 1 444.535 4.162 40 0 IIABMO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)c1 ZINC000257278355 568701387 /nfs/dbraw/zinc/70/13/87/568701387.db2.gz OBXWHAUYTUNBBW-SANMLTNESA-N 1 1 444.535 4.162 40 0 IIABMO Cc1nc2ccccc2n1CC(=O)N1[C@@H]2CCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257295813 568709336 /nfs/dbraw/zinc/70/93/36/568709336.db2.gz QZZMPDBQHXVQHU-SVNGMSFNSA-N 1 1 442.607 4.430 40 0 IIABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)c2)n1 ZINC000257321423 568720805 /nfs/dbraw/zinc/72/08/05/568720805.db2.gz WBPXNFYDBUJGIX-HXUWFJFHSA-N 1 1 448.552 4.068 40 0 IIABMO Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)C1 ZINC000257336417 568727036 /nfs/dbraw/zinc/72/70/36/568727036.db2.gz YOHSPGVIGAHXTD-FQEVSTJZSA-N 1 1 435.528 4.471 40 0 IIABMO Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)c3nccc4ccccc43)CCO2)[nH+]1 ZINC000257339679 568728396 /nfs/dbraw/zinc/72/83/96/568728396.db2.gz ZCTHIUAALUCHHK-QFIPXVFZSA-N 1 1 425.492 4.291 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129078 568765400 /nfs/dbraw/zinc/76/54/00/568765400.db2.gz HTWUOOZYSMRVNT-ZJSXRUAMSA-N 1 1 426.992 4.346 40 0 IIABMO O=C1N(Cc2cccnc2)CC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306133072 568767723 /nfs/dbraw/zinc/76/77/23/568767723.db2.gz MAWXXDZJNFFLJW-NOZRDPDXSA-N 1 1 432.955 4.148 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1 ZINC000306134661 568768652 /nfs/dbraw/zinc/76/86/52/568768652.db2.gz NUWNNXLQIMMGBH-IBGZPJMESA-N 1 1 434.519 4.140 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138024 568770312 /nfs/dbraw/zinc/77/03/12/568770312.db2.gz RMZPFTMMHLZUFD-SHQCIBLASA-N 1 1 443.595 4.186 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2nccs2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306142050 568772429 /nfs/dbraw/zinc/77/24/29/568772429.db2.gz WNWQYSFQWDFEBY-SQJMNOBHSA-N 1 1 449.624 4.329 40 0 IIABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000328984935 568808505 /nfs/dbraw/zinc/80/85/05/568808505.db2.gz HQWFGFKENZWZES-GOSISDBHSA-N 1 1 438.494 4.490 40 0 IIABMO CC(C)[C@H](CO)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329053199 568810591 /nfs/dbraw/zinc/81/05/91/568810591.db2.gz VENJHEBPGSHICI-IBGZPJMESA-N 1 1 436.478 4.244 40 0 IIABMO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199311 568921935 /nfs/dbraw/zinc/92/19/35/568921935.db2.gz ZBKDYXFBRCYKLP-SGKWCMOWSA-N 1 1 429.568 4.255 40 0 IIABMO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199309 568921937 /nfs/dbraw/zinc/92/19/37/568921937.db2.gz ZBKDYXFBRCYKLP-DVKRWUGUSA-N 1 1 429.568 4.255 40 0 IIABMO C[C@@H](C(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000248159028 569207370 /nfs/dbraw/zinc/20/73/70/569207370.db2.gz WSYMNBBJHPQMAU-DYXWJJEUSA-N 1 1 432.568 4.117 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000019555087 569227003 /nfs/dbraw/zinc/22/70/03/569227003.db2.gz BUOPIQIXEGJGMJ-WNCULLNHSA-N 1 1 429.564 4.402 40 0 IIABMO CC1=C(CC[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)C(C)(C)CCC1 ZINC000019693046 569228617 /nfs/dbraw/zinc/22/86/17/569228617.db2.gz MSWUISHJEPEPMQ-QFIPXVFZSA-N 1 1 436.604 4.290 40 0 IIABMO CC1=C(CC[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)C(C)(C)CCC1 ZINC000019693046 569228618 /nfs/dbraw/zinc/22/86/18/569228618.db2.gz MSWUISHJEPEPMQ-QFIPXVFZSA-N 1 1 436.604 4.290 40 0 IIABMO NC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000019702613 569232286 /nfs/dbraw/zinc/23/22/86/569232286.db2.gz CVVCMOWZFHTMNR-SFHVURJKSA-N 1 1 444.560 4.359 40 0 IIABMO Cc1ccc(-n2cc(C[N@H+]3CC[C@@H]4[C@H]3CCCC(=O)N4Cc3ccc(F)cc3)cn2)cc1 ZINC000019713129 569235507 /nfs/dbraw/zinc/23/55/07/569235507.db2.gz GYUXGDKVIWIINV-JWQCQUIFSA-N 1 1 432.543 4.475 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)nc2C)c1 ZINC000019763392 569238026 /nfs/dbraw/zinc/23/80/26/569238026.db2.gz XVLZMBWCJQEDKW-QFIPXVFZSA-N 1 1 436.600 4.483 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765493 569238772 /nfs/dbraw/zinc/23/87/72/569238772.db2.gz UOCBJHFKMJAUEE-QFIPXVFZSA-N 1 1 432.543 4.276 40 0 IIABMO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000009087203 569293666 /nfs/dbraw/zinc/29/36/66/569293666.db2.gz XXAKPPYKBYUAGJ-ODAXIHTASA-N 1 1 428.532 4.434 40 0 IIABMO COc1ccc(OC)c(C(=O)NCc2cnn(-c3ccccc3)c2[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000019707990 569327578 /nfs/dbraw/zinc/32/75/78/569327578.db2.gz UIPGTACJDVPZDA-IBGZPJMESA-N 1 1 448.567 4.017 40 0 IIABMO CCn1c(C[N@H+]2[C@H](Cc3ccc(OC)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)nc2ccccc21 ZINC000019713882 569327788 /nfs/dbraw/zinc/32/77/88/569327788.db2.gz HOBIFDJXWBJKST-JHMXWDHMSA-N 1 1 446.595 4.309 40 0 IIABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cnc4ccccc4c3)n2)c1 ZINC000049155073 291382177 /nfs/dbraw/zinc/38/21/77/291382177.db2.gz ZPTKAYVGANBGPU-QFIPXVFZSA-N 1 1 431.496 4.042 40 0 biogenic,in-vitro IIABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3cnc4ccccc4c3)n2)c1 ZINC000049155073 291382178 /nfs/dbraw/zinc/38/21/78/291382178.db2.gz ZPTKAYVGANBGPU-QFIPXVFZSA-N 1 1 431.496 4.042 40 0 biogenic,in-vitro IIABMO CC(C)(C)OC(=O)COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022053668 518795530 /nfs/dbraw/zinc/79/55/30/518795530.db2.gz CRBIKYGPQWQMAG-XMMPIXPASA-N 1 1 445.003 4.405 40 0 in-vitro IIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3onc4c3C[C@@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000036718932 524028311 /nfs/dbraw/zinc/02/83/11/524028311.db2.gz DZIGMEBTHRYYKN-PZJWPPBQSA-N 1 1 439.600 4.020 40 0 IIABMO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035876936 526241767 /nfs/dbraw/zinc/24/17/67/526241767.db2.gz UZPHINACJLIIRP-PHXBYCTMSA-N 1 1 443.330 4.137 40 0 IIABMO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035876936 526241770 /nfs/dbraw/zinc/24/17/70/526241770.db2.gz UZPHINACJLIIRP-PHXBYCTMSA-N 1 1 443.330 4.137 40 0 IIABMO O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503180 527449448 /nfs/dbraw/zinc/44/94/48/527449448.db2.gz DROGSUYUDDSVJC-DOTOQJQBSA-N 1 1 444.453 4.239 40 0 biogenic,in-vitro IIABMO CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)c1 ZINC000016681587 556624115 /nfs/dbraw/zinc/62/41/15/556624115.db2.gz LAWKRACFMDQYNF-UHFFFAOYSA-N 1 1 447.004 4.007 40 0 IIABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4CCC(F)(F)CC4)C[C@H]2N(C)C3=O)c1 ZINC000514290387 556626598 /nfs/dbraw/zinc/62/65/98/556626598.db2.gz ZXFDKMJRKXIOBA-GGAORHGYSA-N 1 1 442.506 4.457 40 0 biogenic,in-vitro IIABMO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044908713 556680380 /nfs/dbraw/zinc/68/03/80/556680380.db2.gz QZYSHRGLYMZKDO-HXUWFJFHSA-N 1 1 430.548 4.451 40 0 IIABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000019086186 556699896 /nfs/dbraw/zinc/69/98/96/556699896.db2.gz NDQNERDUFDHKSZ-QQNWGBJXSA-N 1 1 447.623 4.089 40 0 IIABMO Cc1c(C)n(C[C@@H](O)C[N@H+](C)Cc2ccc(OCCn3cccn3)cc2)c2ccccc12 ZINC000257335665 556706322 /nfs/dbraw/zinc/70/63/22/556706322.db2.gz YLHRHJOLYUQBMP-QHCPKHFHSA-N 1 1 432.568 4.027 40 0 IIABMO Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208488 556708254 /nfs/dbraw/zinc/70/82/54/556708254.db2.gz PPKUEFAROCEDNC-HSZRJFAPSA-N 1 1 448.611 4.433 40 0 IIABMO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)cc1 ZINC000019209728 556708452 /nfs/dbraw/zinc/70/84/52/556708452.db2.gz BLGZPYWRXFKMHY-QHCPKHFHSA-N 1 1 434.584 4.088 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 ZINC000257233098 556709354 /nfs/dbraw/zinc/70/93/54/556709354.db2.gz GNUVJLCVFBWLGL-JOCHJYFZSA-N 1 1 440.547 4.119 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@H](Cc3ccc4cnccc4c3)C2)c1 ZINC000257237587 556710042 /nfs/dbraw/zinc/71/00/42/556710042.db2.gz HHDIEPKPCMEOBF-HSZRJFAPSA-N 1 1 440.547 4.119 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2cccc(C)c2OC)C1 ZINC000019235898 556720585 /nfs/dbraw/zinc/72/05/85/556720585.db2.gz AAZNGUULZCHZJH-HHHXNRCGSA-N 1 1 429.564 4.246 40 0 IIABMO Cc1ccsc1C[N@H+](C)Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1 ZINC000019238567 556723771 /nfs/dbraw/zinc/72/37/71/556723771.db2.gz JVPJRZXCKIFYGB-UHFFFAOYSA-N 1 1 437.613 4.466 40 0 IIABMO O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019406429 556755225 /nfs/dbraw/zinc/75/52/25/556755225.db2.gz ZLBRRLXCIJPWHC-NRFANRHFSA-N 1 1 440.613 4.088 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019454030 556764573 /nfs/dbraw/zinc/76/45/73/556764573.db2.gz LBAYCKXWRSDZMR-MHZLTWQESA-N 1 1 443.595 4.233 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503287 556774954 /nfs/dbraw/zinc/77/49/54/556774954.db2.gz GMOPTJGIAQWIPY-DEOSSOPVSA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503287 556774957 /nfs/dbraw/zinc/77/49/57/556774957.db2.gz GMOPTJGIAQWIPY-DEOSSOPVSA-N 1 1 443.595 4.014 40 0 IIABMO Cc1cc(C(=O)N2CCC(O)(C[N@H+]3CCCC[C@@H]3c3cccnc3)CC2)c2ccccc2n1 ZINC000019569424 556809439 /nfs/dbraw/zinc/80/94/39/556809439.db2.gz CDYSUKCWMVLCMC-RUZDIDTESA-N 1 1 444.579 4.133 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c1 ZINC000019580359 556818502 /nfs/dbraw/zinc/81/85/02/556818502.db2.gz CNODVHVFUNLZMH-HHHXNRCGSA-N 1 1 429.564 4.280 40 0 IIABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 ZINC000019585274 556822363 /nfs/dbraw/zinc/82/23/63/556822363.db2.gz NNRVHBNJNJJERR-JOCHJYFZSA-N 1 1 433.556 4.349 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(C)nn(-c4ccccn4)c3n2)cc1CO ZINC000019742452 556886420 /nfs/dbraw/zinc/88/64/20/556886420.db2.gz VLTBZXKBXCRPNK-HSZRJFAPSA-N 1 1 443.551 4.352 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000072330395 556905434 /nfs/dbraw/zinc/90/54/34/556905434.db2.gz PNFINCDYPJJPDZ-NLFFAJNJSA-N 1 1 437.584 4.359 40 0 IIABMO Cc1nccc(-c2cccc(-c3noc(C[N@H+]4[C@@H]5CC[C@H]4CC(O)(c4ccco4)C5)n3)c2)n1 ZINC000072343187 556915031 /nfs/dbraw/zinc/91/50/31/556915031.db2.gz ZVRILCVQRGCCMI-WPUZRXDDSA-N 1 1 443.507 4.110 40 0 IIABMO Cc1nccc(-c2cccc(-c3noc(C[N@@H+]4[C@@H]5CC[C@H]4CC(O)(c4ccco4)C5)n3)c2)n1 ZINC000072343187 556915033 /nfs/dbraw/zinc/91/50/33/556915033.db2.gz ZVRILCVQRGCCMI-WPUZRXDDSA-N 1 1 443.507 4.110 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1OC ZINC000072351302 556921107 /nfs/dbraw/zinc/92/11/07/556921107.db2.gz CJXZNTDKDJYEJG-QGZVFWFLSA-N 1 1 427.545 4.134 40 0 IIABMO CCn1nc(C)c(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NCCOC)C2)c1C ZINC000072352301 556923635 /nfs/dbraw/zinc/92/36/35/556923635.db2.gz WNLJDCVCUZOGAX-GOSISDBHSA-N 1 1 440.613 4.100 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)CCC2 ZINC000072353692 556927766 /nfs/dbraw/zinc/92/77/66/556927766.db2.gz USIIPZNSQVPSOC-FQEVSTJZSA-N 1 1 429.568 4.306 40 0 IIABMO Cc1[nH+]ccn1CCC(=O)N1CCC([C@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000072371981 556941615 /nfs/dbraw/zinc/94/16/15/556941615.db2.gz JVLAWNPMZAWBMT-SANMLTNESA-N 1 1 436.600 4.039 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c1 ZINC000072375858 556953158 /nfs/dbraw/zinc/95/31/58/556953158.db2.gz USBXASMMNIZZAZ-HSZRJFAPSA-N 1 1 445.567 4.333 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c1 ZINC000072375858 556953162 /nfs/dbraw/zinc/95/31/62/556953162.db2.gz USBXASMMNIZZAZ-HSZRJFAPSA-N 1 1 445.567 4.333 40 0 IIABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+](CC(=O)N(C)C4CCCCC4)C3)n2)n1 ZINC000072375954 556953643 /nfs/dbraw/zinc/95/36/43/556953643.db2.gz PVOZYTXWNQDOGN-FQEVSTJZSA-N 1 1 436.604 4.203 40 0 IIABMO O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000072394321 556965925 /nfs/dbraw/zinc/96/59/25/556965925.db2.gz YCFJBKUPBHXAPS-YLQYIJTPSA-N 1 1 448.013 4.245 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(O)c2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000585183595 557139355 /nfs/dbraw/zinc/13/93/55/557139355.db2.gz IJASDSFQRUEPHW-DEOSSOPVSA-N 1 1 429.564 4.367 40 0 IIABMO CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000008831721 557175355 /nfs/dbraw/zinc/17/53/55/557175355.db2.gz FOIYZHXCLQAZRF-UHFFFAOYSA-N 1 1 447.004 4.007 40 0 IIABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000585261966 557197942 /nfs/dbraw/zinc/19/79/42/557197942.db2.gz VCXVIJFLNXVGBW-SANMLTNESA-N 1 1 433.527 4.080 40 0 IIABMO Cc1nccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585274266 557218329 /nfs/dbraw/zinc/21/83/29/557218329.db2.gz UWSCTYZVTPNSAY-SANMLTNESA-N 1 1 435.568 4.067 40 0 IIABMO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000219416396 557243894 /nfs/dbraw/zinc/24/38/94/557243894.db2.gz USRSWPSCXSBASY-UHFFFAOYSA-N 1 1 427.372 4.007 40 0 IIABMO O=C(C[NH+]1CCC(O)(CN2CCCc3ccccc32)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000057775038 557264957 /nfs/dbraw/zinc/26/49/57/557264957.db2.gz CTLXSZCJIRFSCF-UHFFFAOYSA-N 1 1 436.640 4.442 40 0 IIABMO CCOc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928638 557271936 /nfs/dbraw/zinc/27/19/36/557271936.db2.gz ITNCZVSKMOSHLD-RUZDIDTESA-N 1 1 446.599 4.094 40 0 IIABMO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222600375 557359533 /nfs/dbraw/zinc/35/95/33/557359533.db2.gz HPLDXQJDVYWQIP-KRWDZBQOSA-N 1 1 428.895 4.058 40 0 IIABMO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222601684 557359738 /nfs/dbraw/zinc/35/97/38/557359738.db2.gz LVBRYGDRIFYLAV-SFHVURJKSA-N 1 1 442.922 4.400 40 0 IIABMO CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000017096096 557487837 /nfs/dbraw/zinc/48/78/37/557487837.db2.gz SAYDOCOLJCXWLP-UHFFFAOYSA-N 1 1 428.577 4.007 40 0 IIABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000225578008 557746066 /nfs/dbraw/zinc/74/60/66/557746066.db2.gz JGIHXDMBJBEOSY-UHFFFAOYSA-N 1 1 429.967 4.036 40 0 IIABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@@H](O)Cn3ccc4ccccc43)cc2)n1 ZINC000585270022 568616757 /nfs/dbraw/zinc/61/67/57/568616757.db2.gz BPFSSZIXDHVZTF-XMMPIXPASA-N 1 1 432.568 4.027 40 0 IIABMO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257201780 568666187 /nfs/dbraw/zinc/66/61/87/568666187.db2.gz AJASLVMRGAKAPB-NRFANRHFSA-N 1 1 437.613 4.264 40 0 IIABMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257201780 568666188 /nfs/dbraw/zinc/66/61/88/568666188.db2.gz AJASLVMRGAKAPB-NRFANRHFSA-N 1 1 437.613 4.264 40 0 IIABMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2cc(Nc3ccc(F)cn3)nc(C)n2)CC1 ZINC000257212338 568671189 /nfs/dbraw/zinc/67/11/89/568671189.db2.gz CCWTUDHGYOIPIU-UHFFFAOYSA-N 1 1 448.546 4.443 40 0 IIABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257232767 568680418 /nfs/dbraw/zinc/68/04/18/568680418.db2.gz GMIIXQUNZUJYMY-FQEVSTJZSA-N 1 1 447.558 4.497 40 0 IIABMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)c1 ZINC000257265603 568695602 /nfs/dbraw/zinc/69/56/02/568695602.db2.gz LZJNNNBGLHEYCY-XMMPIXPASA-N 1 1 427.495 4.202 40 0 IIABMO Cc1cccc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)c1 ZINC000257265603 568695605 /nfs/dbraw/zinc/69/56/05/568695605.db2.gz LZJNNNBGLHEYCY-XMMPIXPASA-N 1 1 427.495 4.202 40 0 IIABMO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc1C ZINC000257272440 568698868 /nfs/dbraw/zinc/69/88/68/568698868.db2.gz NCKWZLBCWBHGJH-SFHVURJKSA-N 1 1 432.971 4.286 40 0 IIABMO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc1C ZINC000257272440 568698871 /nfs/dbraw/zinc/69/88/71/568698871.db2.gz NCKWZLBCWBHGJH-SFHVURJKSA-N 1 1 432.971 4.286 40 0 IIABMO Cn1nc([C@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccccc1F ZINC000257311392 568716045 /nfs/dbraw/zinc/71/60/45/568716045.db2.gz UJGMQGRFPMNKAQ-RUZDIDTESA-N 1 1 446.526 4.302 40 0 IIABMO Cn1nc([C@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccccc1F ZINC000257311392 568716046 /nfs/dbraw/zinc/71/60/46/568716046.db2.gz UJGMQGRFPMNKAQ-RUZDIDTESA-N 1 1 446.526 4.302 40 0 IIABMO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3c3cccc(-n4cc[nH+]c4C)n3)cc2)n1 ZINC000257318700 568719529 /nfs/dbraw/zinc/71/95/29/568719529.db2.gz VPAIYZYNAYSXQP-DEOSSOPVSA-N 1 1 440.551 4.415 40 0 IIABMO Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)C1 ZINC000257336418 568727229 /nfs/dbraw/zinc/72/72/29/568727229.db2.gz YOHSPGVIGAHXTD-HXUWFJFHSA-N 1 1 435.528 4.471 40 0 IIABMO C[NH+]1CCN(c2nc3c(s2)CN(C(=O)Nc2ccccc2F)Cc2ccccc2-3)CC1 ZINC000306130043 568766234 /nfs/dbraw/zinc/76/62/34/568766234.db2.gz IUXDRRCQQKPWCV-UHFFFAOYSA-N 1 1 437.544 4.249 40 0 IIABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133291 568767677 /nfs/dbraw/zinc/76/76/77/568767677.db2.gz MHQZJPCQMZSRLV-XTEPFMGCSA-N 1 1 441.575 4.151 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137213 568769826 /nfs/dbraw/zinc/76/98/26/568769826.db2.gz QPBNBSHKQYKWLS-GJZUVCINSA-N 1 1 447.558 4.016 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137248 568769919 /nfs/dbraw/zinc/76/99/19/568769919.db2.gz QQMHUOLHBNWISE-SHQCIBLASA-N 1 1 443.595 4.186 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000328964146 568807842 /nfs/dbraw/zinc/80/78/42/568807842.db2.gz BTLHCOIFSKRDSU-GOSISDBHSA-N 1 1 431.378 4.108 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000328964146 568807844 /nfs/dbraw/zinc/80/78/44/568807844.db2.gz BTLHCOIFSKRDSU-GOSISDBHSA-N 1 1 431.378 4.108 40 0 IIABMO CC(C)[C@H](CO)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328971299 568808209 /nfs/dbraw/zinc/80/82/09/568808209.db2.gz DQBLGSVBJWIKAK-IBGZPJMESA-N 1 1 431.378 4.108 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)[nH]n2)cc1 ZINC000257199214 568921922 /nfs/dbraw/zinc/92/19/22/568921922.db2.gz WQOVXVNCVDVXHF-IKVMQTKTSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)n[nH]2)cc1 ZINC000257199214 568921923 /nfs/dbraw/zinc/92/19/23/568921923.db2.gz WQOVXVNCVDVXHF-IKVMQTKTSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)n[nH]2)cc1 ZINC000257199214 568921924 /nfs/dbraw/zinc/92/19/24/568921924.db2.gz WQOVXVNCVDVXHF-IKVMQTKTSA-N 1 1 432.568 4.121 40 0 IIABMO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)cc21 ZINC000257199152 568921956 /nfs/dbraw/zinc/92/19/56/568921956.db2.gz UZKDOMKTZBWBIB-CONSUNNSSA-N 1 1 433.596 4.323 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000019567055 569227107 /nfs/dbraw/zinc/22/71/07/569227107.db2.gz JWXNIWDAPSUJCI-XMSQKQJNSA-N 1 1 443.613 4.420 40 0 IIABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695793 569229612 /nfs/dbraw/zinc/22/96/12/569229612.db2.gz REUSHXAFZGKNIZ-QHCPKHFHSA-N 1 1 441.579 4.082 40 0 IIABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019702626 569232315 /nfs/dbraw/zinc/23/23/15/569232315.db2.gz WKPLSTNKBIDUDK-KRWDZBQOSA-N 1 1 449.555 4.312 40 0 IIABMO CC(=O)N1CCC[C@H]1c1nc(C[N@@H+](C)Cc2cn(C(C)C)c3ccccc23)cc(N(C)C)n1 ZINC000019709795 569234749 /nfs/dbraw/zinc/23/47/49/569234749.db2.gz BHDLEGWVDSYBFX-DEOSSOPVSA-N 1 1 448.615 4.394 40 0 IIABMO CC(=O)N1CCC[C@H]1c1nc(C[N@H+](C)Cc2cn(C(C)C)c3ccccc23)cc(N(C)C)n1 ZINC000019709795 569234751 /nfs/dbraw/zinc/23/47/51/569234751.db2.gz BHDLEGWVDSYBFX-DEOSSOPVSA-N 1 1 448.615 4.394 40 0 IIABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CCC2 ZINC000019762956 569237699 /nfs/dbraw/zinc/23/76/99/569237699.db2.gz WZUWHTPDYADDMW-JOCHJYFZSA-N 1 1 448.611 4.288 40 0 IIABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856927 569249210 /nfs/dbraw/zinc/24/92/10/569249210.db2.gz NITZGWKLTPEWQY-UGKGYDQZSA-N 1 1 449.016 4.223 40 0 IIABMO O=C(c1ccc(N2CCOCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000058604207 569249629 /nfs/dbraw/zinc/24/96/29/569249629.db2.gz YZADONJVAHYSSU-UHFFFAOYSA-N 1 1 441.575 4.071 40 0 IIABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)cc1C ZINC000009348431 569295695 /nfs/dbraw/zinc/29/56/95/569295695.db2.gz FYLCRYPUYAAHSU-ODAXIHTASA-N 1 1 428.532 4.434 40 0 IIABMO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2Cc2cncn2Cc2ccccc2)N1Cc1ccccc1 ZINC000019713828 569327830 /nfs/dbraw/zinc/32/78/30/569327830.db2.gz DCMYUTNTKWRABQ-FTJBHMTQSA-N 1 1 428.580 4.477 40 0 IIABMO CC(C)NC(=O)c1cc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759631 569328709 /nfs/dbraw/zinc/32/87/09/569328709.db2.gz RBAKEYYGJGCRFG-SANMLTNESA-N 1 1 440.547 4.495 40 0 IIABMO CC(C)NC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759631 569328710 /nfs/dbraw/zinc/32/87/10/569328710.db2.gz RBAKEYYGJGCRFG-SANMLTNESA-N 1 1 440.547 4.495 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2C)c1 ZINC000019763404 569328882 /nfs/dbraw/zinc/32/88/82/569328882.db2.gz KBZHMFFPPLIWJJ-QHCPKHFHSA-N 1 1 444.579 4.146 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000012707766 521632539 /nfs/dbraw/zinc/63/25/39/521632539.db2.gz NCEJIGNVRHEXSQ-OAQYLSRUSA-N 1 1 434.540 4.055 40 0 IIABMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000015307330 527017524 /nfs/dbraw/zinc/01/75/24/527017524.db2.gz BKPJGWLYOVCCAU-LJQANCHMSA-N 1 1 443.334 4.381 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@@H]32)cc1OC ZINC000036719489 556309771 /nfs/dbraw/zinc/30/97/71/556309771.db2.gz UIOSSFKUWOMODX-AQNXPRMDSA-N 1 1 427.541 4.498 40 0 IIABMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@@H+](Cc3ccc4nccnc4c3)[C@H]2C1 ZINC000013265842 556501395 /nfs/dbraw/zinc/50/13/95/556501395.db2.gz VYCJVIOSAYZHNC-GCJKJVERSA-N 1 1 440.469 4.385 40 0 IIABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000030946510 556517191 /nfs/dbraw/zinc/51/71/91/556517191.db2.gz IZTLNXIUELVNOI-UHFFFAOYSA-N 1 1 431.330 4.086 40 0 IIABMO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000038831298 556621675 /nfs/dbraw/zinc/62/16/75/556621675.db2.gz SYUNLNHIHBWCRN-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO C[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289745 556623995 /nfs/dbraw/zinc/62/39/95/556623995.db2.gz CZNOALZDSWLYAE-KYPHJKQUSA-N 1 1 436.502 4.461 40 0 biogenic,in-vitro IIABMO C[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289745 556623997 /nfs/dbraw/zinc/62/39/97/556623997.db2.gz CZNOALZDSWLYAE-KYPHJKQUSA-N 1 1 436.502 4.461 40 0 biogenic,in-vitro IIABMO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044919815 556682090 /nfs/dbraw/zinc/68/20/90/556682090.db2.gz WFKNLOUGOZYPQZ-UHFFFAOYSA-N 1 1 431.374 4.376 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000019081866 556696797 /nfs/dbraw/zinc/69/67/97/556696797.db2.gz WERUYJYCNVSCAS-AUSIDOKSSA-N 1 1 425.573 4.214 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200816 556701036 /nfs/dbraw/zinc/70/10/36/556701036.db2.gz AFADXZVPNWQIDU-AHKZPQOWSA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200816 556701039 /nfs/dbraw/zinc/70/10/39/556701039.db2.gz AFADXZVPNWQIDU-AHKZPQOWSA-N 1 1 434.580 4.344 40 0 IIABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000257214465 556703041 /nfs/dbraw/zinc/70/30/41/556703041.db2.gz CMCNUZPGJTZYLC-OAQYLSRUSA-N 1 1 440.540 4.141 40 0 IIABMO Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135718 556706146 /nfs/dbraw/zinc/70/61/46/556706146.db2.gz CIMBPVAKFYYFRJ-CTNGQTDRSA-N 1 1 448.611 4.301 40 0 IIABMO COCCOc1cc(C[N@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000257334230 556706356 /nfs/dbraw/zinc/70/63/56/556706356.db2.gz YFCFGRAOKFXGMQ-SANMLTNESA-N 1 1 443.584 4.479 40 0 IIABMO Cc1c(C)n(C[C@@H](O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)c2ccccc12 ZINC000257220268 556707498 /nfs/dbraw/zinc/70/74/98/556707498.db2.gz DKFIHUSZDSFLKV-QFIPXVFZSA-N 1 1 432.568 4.064 40 0 IIABMO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)cc1 ZINC000019209726 556708500 /nfs/dbraw/zinc/70/85/00/556708500.db2.gz BLGZPYWRXFKMHY-HSZRJFAPSA-N 1 1 434.584 4.088 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000019213958 556711090 /nfs/dbraw/zinc/71/10/90/556711090.db2.gz ZFIJVCKJLSCBAZ-MHZLTWQESA-N 1 1 428.580 4.331 40 0 IIABMO Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019220410 556715172 /nfs/dbraw/zinc/71/51/72/556715172.db2.gz ZXSKBAOOEAWDQF-OAQYLSRUSA-N 1 1 448.567 4.267 40 0 IIABMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257309978 556718468 /nfs/dbraw/zinc/71/84/68/556718468.db2.gz UDDXDAFFZNYPLR-HXUWFJFHSA-N 1 1 428.536 4.096 40 0 IIABMO Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019237084 556721886 /nfs/dbraw/zinc/72/18/86/556721886.db2.gz PTJOSJDZVBFFQI-XMMPIXPASA-N 1 1 448.611 4.478 40 0 IIABMO O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343578 556741446 /nfs/dbraw/zinc/74/14/46/556741446.db2.gz DIEPDINKCLUDTF-OAQYLSRUSA-N 1 1 440.613 4.024 40 0 IIABMO Cc1cccc2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c12 ZINC000000926391 556753030 /nfs/dbraw/zinc/75/30/30/556753030.db2.gz PFIHPIFWUTZNDM-UHFFFAOYSA-N 1 1 442.567 4.206 40 0 IIABMO Cc1cccc2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c12 ZINC000000926391 556753033 /nfs/dbraw/zinc/75/30/33/556753033.db2.gz PFIHPIFWUTZNDM-UHFFFAOYSA-N 1 1 442.567 4.206 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400623 556753077 /nfs/dbraw/zinc/75/30/77/556753077.db2.gz LEHFGDXBKSYYEZ-CYFREDJKSA-N 1 1 443.576 4.470 40 0 IIABMO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019447330 556756365 /nfs/dbraw/zinc/75/63/65/556756365.db2.gz VDAHMECZVUDPFG-HHHXNRCGSA-N 1 1 428.580 4.351 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502936 556774178 /nfs/dbraw/zinc/77/41/78/556774178.db2.gz KLANHJJNTBESTA-RUZDIDTESA-N 1 1 428.580 4.365 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503342 556775072 /nfs/dbraw/zinc/77/50/72/556775072.db2.gz DLXOOVCHRAONAN-XMMPIXPASA-N 1 1 428.580 4.365 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(=O)NC)C2)cn1 ZINC000019523371 556780709 /nfs/dbraw/zinc/78/07/09/556780709.db2.gz PKFOOAKUJWUMJP-MHZLTWQESA-N 1 1 428.580 4.277 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527455 556785853 /nfs/dbraw/zinc/78/58/53/556785853.db2.gz RFYHYVAMWYRQBD-VWLOTQADSA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527455 556785857 /nfs/dbraw/zinc/78/58/57/556785857.db2.gz RFYHYVAMWYRQBD-VWLOTQADSA-N 1 1 443.595 4.185 40 0 IIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019528754 556789071 /nfs/dbraw/zinc/78/90/71/556789071.db2.gz GTOFSQUYFYXZJQ-HHHXNRCGSA-N 1 1 446.595 4.057 40 0 IIABMO CCOc1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380599 556796929 /nfs/dbraw/zinc/79/69/29/556796929.db2.gz XNTFXDWBFSVVCN-UHFFFAOYSA-N 1 1 447.461 4.124 40 0 IIABMO COc1cccc(C(=O)N2CCCC[C@H]3C[N@@H+](Cc4ccc5ncccc5c4)C[C@H]32)c1OC ZINC000019567318 556807497 /nfs/dbraw/zinc/80/74/97/556807497.db2.gz UADQPCKKSJOVMQ-XUZZJYLKSA-N 1 1 445.563 4.379 40 0 IIABMO CC[NH+](CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1C)OCO3 ZINC000061887432 556812292 /nfs/dbraw/zinc/81/22/92/556812292.db2.gz FEMIEKUWTKIHRN-FUEHQLCJSA-N 1 1 429.513 4.269 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccc(OC)cc2F)C1 ZINC000019591278 556826427 /nfs/dbraw/zinc/82/64/27/556826427.db2.gz BLNLJHKVBBGNEM-HHHXNRCGSA-N 1 1 447.554 4.467 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000019591310 556826486 /nfs/dbraw/zinc/82/64/86/556826486.db2.gz LRWSXRUUEZJFEH-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc12 ZINC000006405811 556834323 /nfs/dbraw/zinc/83/43/23/556834323.db2.gz BRMOSFIDRCJNNW-XMMPIXPASA-N 1 1 442.567 4.145 40 0 IIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)c2)cn1 ZINC000019690844 556846548 /nfs/dbraw/zinc/84/65/48/556846548.db2.gz INRXHOKOYAWQKG-QFIPXVFZSA-N 1 1 432.572 4.169 40 0 IIABMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019761761 556905339 /nfs/dbraw/zinc/90/53/39/556905339.db2.gz GUCDRAUADFALMD-OAQYLSRUSA-N 1 1 439.563 4.185 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000072330469 556905737 /nfs/dbraw/zinc/90/57/37/556905737.db2.gz BUOPIQIXEGJGMJ-KCWPFWIISA-N 1 1 429.564 4.402 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330465 556905890 /nfs/dbraw/zinc/90/58/90/556905890.db2.gz KPSGNWCGUSETNL-KCWPFWIISA-N 1 1 429.564 4.402 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000072330542 556906304 /nfs/dbraw/zinc/90/63/04/556906304.db2.gz FAPFMKBZDUMDCB-LVXARBLLSA-N 1 1 445.563 4.482 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000072330601 556906581 /nfs/dbraw/zinc/90/65/81/556906581.db2.gz FTXLTNVPTQTJCI-SSKFGXFMSA-N 1 1 431.939 4.123 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000072330601 556906585 /nfs/dbraw/zinc/90/65/85/556906585.db2.gz FTXLTNVPTQTJCI-SSKFGXFMSA-N 1 1 431.939 4.123 40 0 IIABMO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000072335305 556907953 /nfs/dbraw/zinc/90/79/53/556907953.db2.gz RAZNZCDJPFHABZ-HBFSDRIKSA-N 1 1 432.568 4.186 40 0 IIABMO O=C(C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCCC1 ZINC000072359371 556932531 /nfs/dbraw/zinc/93/25/31/556932531.db2.gz DEIAHEQWDJCRDB-SFHVURJKSA-N 1 1 432.490 4.354 40 0 IIABMO COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cs2)cc(C)[nH+]1 ZINC000072372717 556944158 /nfs/dbraw/zinc/94/41/58/556944158.db2.gz FXOHZMGHPJCSID-GOSISDBHSA-N 1 1 444.582 4.433 40 0 IIABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)C(C)C ZINC000072373146 556945351 /nfs/dbraw/zinc/94/53/51/556945351.db2.gz NDQNERDUFDHKSZ-CERRFVOPSA-N 1 1 447.623 4.089 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cccc(Nc4ccccn4)n3)C1)OCCO2 ZINC000072376102 556953879 /nfs/dbraw/zinc/95/38/79/556953879.db2.gz YBPWXPCQXPFSBP-GOSISDBHSA-N 1 1 432.524 4.380 40 0 IIABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(Cc3ccccc3)c3ccccc13)C(=O)CC2 ZINC000072380027 556957258 /nfs/dbraw/zinc/95/72/58/556957258.db2.gz XGHFBFMLVMWTJB-UHFFFAOYSA-N 1 1 439.563 4.029 40 0 IIABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4oc5ccccc5c4C)C[C@H]32)c(OCC)n1 ZINC000072392657 556963977 /nfs/dbraw/zinc/96/39/77/556963977.db2.gz WGLCCCMEXPOPAF-WVFSIPRWSA-N 1 1 437.540 4.058 40 0 IIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cncn2CC)C1 ZINC000072394075 556965579 /nfs/dbraw/zinc/96/55/79/556965579.db2.gz HKJIIOXFIROZNZ-RUZDIDTESA-N 1 1 436.556 4.254 40 0 IIABMO COc1cccc(OC)c1C[N@H+](Cc1ccc(F)cc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000072395083 556966512 /nfs/dbraw/zinc/96/65/12/556966512.db2.gz PGDAUQCQQXNNAJ-AUSIDOKSSA-N 1 1 440.515 4.399 40 0 IIABMO COc1cccc(OC)c1C[N@@H+](Cc1ccc(F)cc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000072395083 556966515 /nfs/dbraw/zinc/96/65/15/556966515.db2.gz PGDAUQCQQXNNAJ-AUSIDOKSSA-N 1 1 440.515 4.399 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000072398580 556969999 /nfs/dbraw/zinc/96/99/99/556969999.db2.gz WERUYJYCNVSCAS-XXBNENTESA-N 1 1 425.573 4.214 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000072398672 556970734 /nfs/dbraw/zinc/97/07/34/556970734.db2.gz CAXKFEMWOMWQSU-CYFREDJKSA-N 1 1 434.515 4.008 40 0 IIABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096080829 557168651 /nfs/dbraw/zinc/16/86/51/557168651.db2.gz IOXUDIDTWOVGEN-PSWAGMNNSA-N 1 1 432.589 4.071 40 0 IIABMO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000219423053 557243867 /nfs/dbraw/zinc/24/38/67/557243867.db2.gz KXSPEQVCAVWKAU-UHFFFAOYSA-N 1 1 428.895 4.058 40 0 IIABMO CCOc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928640 557271831 /nfs/dbraw/zinc/27/18/31/557271831.db2.gz ITNCZVSKMOSHLD-VWLOTQADSA-N 1 1 446.599 4.094 40 0 IIABMO COc1ccc(-c2cccc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000013569069 557347454 /nfs/dbraw/zinc/34/74/54/557347454.db2.gz AJMDCUVVRGJZAQ-UHFFFAOYSA-N 1 1 431.580 4.482 40 0 IIABMO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222597086 557358436 /nfs/dbraw/zinc/35/84/36/557358436.db2.gz UCDRXDSDDSGTKF-MRXNPFEDSA-N 1 1 430.961 4.322 40 0 IIABMO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222601514 557359780 /nfs/dbraw/zinc/35/97/80/557359780.db2.gz GZBRFVPPOCQXHP-KRWDZBQOSA-N 1 1 442.922 4.400 40 0 IIABMO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222601452 557359819 /nfs/dbraw/zinc/35/98/19/557359819.db2.gz GZBRFVPPOCQXHP-QGZVFWFLSA-N 1 1 442.922 4.400 40 0 IIABMO O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000040373152 557414603 /nfs/dbraw/zinc/41/46/03/557414603.db2.gz PGKFQFVOGGTPJW-MHZLTWQESA-N 1 1 430.592 4.014 40 0 IIABMO COc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009346 557418089 /nfs/dbraw/zinc/41/80/89/557418089.db2.gz ZQRKJSORYHVKAZ-NRFANRHFSA-N 1 1 430.548 4.396 40 0 IIABMO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540984 557618798 /nfs/dbraw/zinc/61/87/98/557618798.db2.gz DHWZUOGUWHRQSK-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225451576 557724386 /nfs/dbraw/zinc/72/43/86/557724386.db2.gz JDTDYVRXZSIHDS-UHFFFAOYSA-N 1 1 433.581 4.293 40 0 IIABMO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000225585855 557747639 /nfs/dbraw/zinc/74/76/39/557747639.db2.gz GBHCSCOAZRGZQB-UHFFFAOYSA-N 1 1 439.625 4.224 40 0 IIABMO CCOc1cc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)ccc1OC ZINC000225588991 557748417 /nfs/dbraw/zinc/74/84/17/557748417.db2.gz DVCNDEOHXYUBCC-UHFFFAOYSA-N 1 1 434.939 4.415 40 0 IIABMO COC(=O)c1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225588575 557748455 /nfs/dbraw/zinc/74/84/55/557748455.db2.gz OPJQKKZDLQIFMR-UHFFFAOYSA-N 1 1 434.895 4.125 40 0 IIABMO COc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000225728027 557769610 /nfs/dbraw/zinc/76/96/10/557769610.db2.gz YQMLGRHHVDRPRG-QGZVFWFLSA-N 1 1 426.517 4.204 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270583 568617118 /nfs/dbraw/zinc/61/71/18/568617118.db2.gz MTDMNJXWCWMNSR-HHHXNRCGSA-N 1 1 449.595 4.412 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774049 568625959 /nfs/dbraw/zinc/62/59/59/568625959.db2.gz RRNLSRWDBCCRJH-UQBPGWFLSA-N 1 1 425.573 4.214 40 0 IIABMO COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1Cn1cc[nH+]c1C ZINC000257205956 568668034 /nfs/dbraw/zinc/66/80/34/568668034.db2.gz BBFNZVAMOYUMRY-FYTOQHKHSA-N 1 1 425.573 4.409 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257209462 568669490 /nfs/dbraw/zinc/66/94/90/568669490.db2.gz BQMFODAEJYESJO-QFIPXVFZSA-N 1 1 440.547 4.119 40 0 IIABMO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)c(C)c1C ZINC000257218520 568673606 /nfs/dbraw/zinc/67/36/06/568673606.db2.gz DDLAGHAHBBGURM-SANMLTNESA-N 1 1 445.563 4.355 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)c(C)c1C ZINC000257218520 568673609 /nfs/dbraw/zinc/67/36/09/568673609.db2.gz DDLAGHAHBBGURM-SANMLTNESA-N 1 1 445.563 4.355 40 0 IIABMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)c(C)c1C ZINC000257218519 568673727 /nfs/dbraw/zinc/67/37/27/568673727.db2.gz DDLAGHAHBBGURM-AREMUKBSSA-N 1 1 445.563 4.355 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)c(C)c1C ZINC000257218519 568673728 /nfs/dbraw/zinc/67/37/28/568673728.db2.gz DDLAGHAHBBGURM-AREMUKBSSA-N 1 1 445.563 4.355 40 0 IIABMO Cc1[nH+]ccn1Cc1ccc(N[C@H](c2cccc(OC3CCCC3)c2)[C@H](O)[C@H](C)O)cc1 ZINC000257224145 568676067 /nfs/dbraw/zinc/67/60/67/568676067.db2.gz FAMPSCXQBHRXEP-FMLDBKJISA-N 1 1 435.568 4.456 40 0 IIABMO COc1ccccc1-c1cccc(C[N@H+]2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257228150 568678267 /nfs/dbraw/zinc/67/82/67/568678267.db2.gz FSOCIMKXMRZDKX-NRFANRHFSA-N 1 1 428.536 4.096 40 0 IIABMO Cc1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257230226 568679104 /nfs/dbraw/zinc/67/91/04/568679104.db2.gz GBJKAHLWXCNVCJ-KRWDZBQOSA-N 1 1 435.399 4.457 40 0 IIABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257230226 568679106 /nfs/dbraw/zinc/67/91/06/568679106.db2.gz GBJKAHLWXCNVCJ-KRWDZBQOSA-N 1 1 435.399 4.457 40 0 IIABMO Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(Nc5cccc(C)n5)cc(C)[nH+]4)C3)c2c1 ZINC000257237640 568682766 /nfs/dbraw/zinc/68/27/66/568682766.db2.gz HHKLHIQVCRWLLJ-QFIPXVFZSA-N 1 1 442.523 4.235 40 0 IIABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4n[nH]c5ccc(C)cc54)CCO3)c2)n1 ZINC000257239437 568683494 /nfs/dbraw/zinc/68/34/94/568683494.db2.gz HPGRDACQYIAUNH-FQEVSTJZSA-N 1 1 448.552 4.297 40 0 IIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@@H+]2CCOc2ccccc2F)n1 ZINC000257250144 568688615 /nfs/dbraw/zinc/68/86/15/568688615.db2.gz JLESQAHVYYPZNU-QHCPKHFHSA-N 1 1 448.542 4.460 40 0 IIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@H+]2CCOc2ccccc2F)n1 ZINC000257250144 568688618 /nfs/dbraw/zinc/68/86/18/568688618.db2.gz JLESQAHVYYPZNU-QHCPKHFHSA-N 1 1 448.542 4.460 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257250001 568688745 /nfs/dbraw/zinc/68/87/45/568688745.db2.gz JKOVSXISKMEJLD-FQEVSTJZSA-N 1 1 433.531 4.188 40 0 IIABMO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257254770 568690649 /nfs/dbraw/zinc/69/06/49/568690649.db2.gz KEOSTFFZJHYLTF-JOCHJYFZSA-N 1 1 445.611 4.327 40 0 IIABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@@H+]3Cc3cccs3)nn2c1C ZINC000257269228 568697286 /nfs/dbraw/zinc/69/72/86/568697286.db2.gz MPCSDOLHDIMSJJ-NRFANRHFSA-N 1 1 425.602 4.204 40 0 IIABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+]3Cc3cccs3)nn2c1C ZINC000257269228 568697288 /nfs/dbraw/zinc/69/72/88/568697288.db2.gz MPCSDOLHDIMSJJ-NRFANRHFSA-N 1 1 425.602 4.204 40 0 IIABMO CC[C@H](C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1)[NH+]1CCCC1 ZINC000257277523 568701014 /nfs/dbraw/zinc/70/10/14/568701014.db2.gz NYHCASIVUDHSIC-JOCHJYFZSA-N 1 1 425.552 4.248 40 0 IIABMO Cc1nc2cc([C@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293007 568708182 /nfs/dbraw/zinc/70/81/82/568708182.db2.gz QNTZVGKVUYRKCU-ZJSXRUAMSA-N 1 1 435.616 4.298 40 0 IIABMO COc1ccc(OCCc2cc([C@@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)[nH]n2)cc1 ZINC000257312747 568716896 /nfs/dbraw/zinc/71/68/96/568716896.db2.gz UPJFJMOTUFWCBR-SANMLTNESA-N 1 1 446.551 4.105 40 0 IIABMO COc1ccc(OCCc2cc([C@@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)[nH]n2)cc1 ZINC000257312747 568716897 /nfs/dbraw/zinc/71/68/97/568716897.db2.gz UPJFJMOTUFWCBR-SANMLTNESA-N 1 1 446.551 4.105 40 0 IIABMO Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5[N@@H+](C)[C@@H]4Cc3ccccc3)nc12 ZINC000257315469 568718070 /nfs/dbraw/zinc/71/80/70/568718070.db2.gz VBNHDNTZKDPUMU-KLWMKENUSA-N 1 1 428.580 4.341 40 0 IIABMO CCN(C(=O)C[N@@H+]1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1)c1cccc(C)c1 ZINC000257329824 568724441 /nfs/dbraw/zinc/72/44/41/568724441.db2.gz XLRRJTRLFOKECY-AZGAKELHSA-N 1 1 442.575 4.418 40 0 IIABMO CCN(C(=O)C[N@H+]1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1)c1cccc(C)c1 ZINC000257329824 568724443 /nfs/dbraw/zinc/72/44/43/568724443.db2.gz XLRRJTRLFOKECY-AZGAKELHSA-N 1 1 442.575 4.418 40 0 IIABMO CCn1nc(C)c(C[N@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)c1C ZINC000257344394 568730419 /nfs/dbraw/zinc/73/04/19/568730419.db2.gz ZXANZRRTPQCZKS-HXUWFJFHSA-N 1 1 434.588 4.041 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 ZINC000306127557 568764686 /nfs/dbraw/zinc/76/46/86/568764686.db2.gz GBWDKXHDCFSKEL-AZGAKELHSA-N 1 1 447.966 4.132 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 ZINC000306127555 568764707 /nfs/dbraw/zinc/76/47/07/568764707.db2.gz GBWDKXHDCFSKEL-AHWVRZQESA-N 1 1 447.966 4.132 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127773 568764910 /nfs/dbraw/zinc/76/49/10/568764910.db2.gz GHJFXWXSYPYRLI-RDPSFJRHSA-N 1 1 426.992 4.346 40 0 IIABMO O=C(Nc1ccccc1)c1nnc2n1CC[C@H]1C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000306133661 568767963 /nfs/dbraw/zinc/76/79/63/568767963.db2.gz MSJWOUXTXWFIFV-QFBILLFUSA-N 1 1 441.457 4.169 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137212 568769968 /nfs/dbraw/zinc/76/99/68/568769968.db2.gz QPBNBSHKQYKWLS-BKMJKUGQSA-N 1 1 447.558 4.016 40 0 IIABMO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198984 568921749 /nfs/dbraw/zinc/92/17/49/568921749.db2.gz NYFNOLMYHKOVBN-CFGBTRHTSA-N 1 1 432.568 4.121 40 0 IIABMO O=C(c1ccc(Nc2ncccn2)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199312 568921939 /nfs/dbraw/zinc/92/19/39/568921939.db2.gz ZBKDYXFBRCYKLP-XWVZOOPGSA-N 1 1 429.568 4.255 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)[C@H]1CCCO1 ZINC000247522802 569205910 /nfs/dbraw/zinc/20/59/10/569205910.db2.gz YHUKXGSHORGOJF-BWAGFHJFSA-N 1 1 447.501 4.349 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@H]32)cc1OC ZINC000247910161 569206278 /nfs/dbraw/zinc/20/62/78/569206278.db2.gz UIOSSFKUWOMODX-XUVXKRRUSA-N 1 1 427.541 4.498 40 0 IIABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000248193983 569207560 /nfs/dbraw/zinc/20/75/60/569207560.db2.gz NLTGBYBPOLBEQY-JCGIZDLHSA-N 1 1 441.542 4.065 40 0 IIABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C3)cc2N1 ZINC000248193983 569207561 /nfs/dbraw/zinc/20/75/61/569207561.db2.gz NLTGBYBPOLBEQY-JCGIZDLHSA-N 1 1 441.542 4.065 40 0 IIABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000012157813 569224939 /nfs/dbraw/zinc/22/49/39/569224939.db2.gz HPDFJXXPPNBDQC-IVFUSOGKSA-N 1 1 448.592 4.443 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000019567744 569226988 /nfs/dbraw/zinc/22/69/88/569226988.db2.gz FJRRBMMJYXDOIQ-WIYYLYMNSA-N 1 1 443.613 4.420 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019570229 569227077 /nfs/dbraw/zinc/22/70/77/569227077.db2.gz KPSGNWCGUSETNL-WNCULLNHSA-N 1 1 429.564 4.402 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3cccnc3)CC2)sc1CCOc1ccccc1F ZINC000019696259 569229621 /nfs/dbraw/zinc/22/96/21/569229621.db2.gz RKOOLFCJNADFEO-DEOSSOPVSA-N 1 1 441.572 4.481 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3cccnc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704899 569233835 /nfs/dbraw/zinc/23/38/35/569233835.db2.gz FSJRCWBWEHSKCN-DEOSSOPVSA-N 1 1 441.572 4.481 40 0 IIABMO CNc1cc(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)nc(CN(C)C(C)=O)n1 ZINC000019710104 569234895 /nfs/dbraw/zinc/23/48/95/569234895.db2.gz NXDDGAOUEWLQDF-UHFFFAOYSA-N 1 1 436.387 4.183 40 0 IIABMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cc1CO ZINC000019713178 569235455 /nfs/dbraw/zinc/23/54/55/569235455.db2.gz ITNPPLZEYDTDNW-RPWUZVMVSA-N 1 1 440.559 4.262 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C1)CCC2 ZINC000019763143 569237860 /nfs/dbraw/zinc/23/78/60/569237860.db2.gz SAMZNSVFAOZLED-QFIPXVFZSA-N 1 1 448.611 4.288 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765346 569238843 /nfs/dbraw/zinc/23/88/43/569238843.db2.gz OBXSALRUSGZSJK-OAQYLSRUSA-N 1 1 448.542 4.242 40 0 IIABMO COc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000019703720 569327271 /nfs/dbraw/zinc/32/72/71/569327271.db2.gz SUFDGHHWJYEHCO-RUZDIDTESA-N 1 1 449.595 4.175 40 0 IIABMO CNC(=O)c1cc([C@H]2CC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)nc2ccccc21 ZINC000019761924 569328788 /nfs/dbraw/zinc/32/87/88/569328788.db2.gz WSJPACKPFMOWHF-IBGZPJMESA-N 1 1 439.519 4.166 40 0 IIABMO COc1ccc(OC)c(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022251038 524811135 /nfs/dbraw/zinc/81/11/35/524811135.db2.gz HOTODMIZVVPPTL-UHFFFAOYSA-N 1 1 430.548 4.180 40 0 IIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612367 556534740 /nfs/dbraw/zinc/53/47/40/556534740.db2.gz OHIVQXQBIUZTQW-JOCHJYFZSA-N 1 1 443.613 4.180 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081821 556696407 /nfs/dbraw/zinc/69/64/07/556696407.db2.gz NHCVPLXYQUOXQQ-WZONZLPQSA-N 1 1 425.573 4.214 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081823 556696465 /nfs/dbraw/zinc/69/64/65/556696465.db2.gz NHCVPLXYQUOXQQ-FDDCHVKYSA-N 1 1 425.573 4.214 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200817 556700964 /nfs/dbraw/zinc/70/09/64/556700964.db2.gz AFADXZVPNWQIDU-BDYUSTAISA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200817 556700965 /nfs/dbraw/zinc/70/09/65/556700965.db2.gz AFADXZVPNWQIDU-BDYUSTAISA-N 1 1 434.580 4.344 40 0 IIABMO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)cc1 ZINC000019209734 556708429 /nfs/dbraw/zinc/70/84/29/556708429.db2.gz BBIKJUPRUVNFHI-DEOSSOPVSA-N 1 1 448.611 4.478 40 0 IIABMO CN([C@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257269492 556713356 /nfs/dbraw/zinc/71/33/56/556713356.db2.gz MQGCILQSFDXSMP-DEOSSOPVSA-N 1 1 441.641 4.103 40 0 IIABMO COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CCOCC2)cc1 ZINC000257267758 556713442 /nfs/dbraw/zinc/71/34/42/556713442.db2.gz MIQFSZAEBZYQDF-JOCHJYFZSA-N 1 1 440.559 4.051 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@](C(=O)N(C)C)(c2ccccn2)C1 ZINC000257286856 556715717 /nfs/dbraw/zinc/71/57/17/556715717.db2.gz PNIMGOKHRXAVTB-MHZLTWQESA-N 1 1 429.564 4.379 40 0 IIABMO O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019342683 556740257 /nfs/dbraw/zinc/74/02/57/556740257.db2.gz NCMBJJLNXQQLFH-IBGZPJMESA-N 1 1 426.586 4.302 40 0 IIABMO O=C(c1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019406406 556755247 /nfs/dbraw/zinc/75/52/47/556755247.db2.gz DIDSPULDSFFXPE-OAQYLSRUSA-N 1 1 440.613 4.137 40 0 IIABMO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019447338 556756727 /nfs/dbraw/zinc/75/67/27/556756727.db2.gz UFAJGKVXDJKOHU-HHHXNRCGSA-N 1 1 428.580 4.351 40 0 IIABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019448949 556759086 /nfs/dbraw/zinc/75/90/86/556759086.db2.gz XRLQRDYCYHBKCE-MHZLTWQESA-N 1 1 428.580 4.493 40 0 IIABMO C/C(=C\c1ccccc1)C[N@@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019450109 556761007 /nfs/dbraw/zinc/76/10/07/556761007.db2.gz RBUXPDNMUYDAGT-MOVXLXCVSA-N 1 1 447.627 4.110 40 0 IIABMO COc1ncc(C[N@@H+]2CCC[C@@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019452296 556763150 /nfs/dbraw/zinc/76/31/50/556763150.db2.gz YAQGBHOYTMWLLL-OAHLLOKOSA-N 1 1 434.466 4.050 40 0 IIABMO COc1ncc(C[N@H+]2CCC[C@@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019452296 556763153 /nfs/dbraw/zinc/76/31/53/556763153.db2.gz YAQGBHOYTMWLLL-OAHLLOKOSA-N 1 1 434.466 4.050 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000019454028 556764607 /nfs/dbraw/zinc/76/46/07/556764607.db2.gz LBAYCKXWRSDZMR-HHHXNRCGSA-N 1 1 443.595 4.233 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccccc4)[nH]c(=O)c3C2)CC1 ZINC000019495995 556768636 /nfs/dbraw/zinc/76/86/36/556768636.db2.gz CVJPRUAGPZDJBK-PXLSRWGNSA-N 1 1 434.584 4.025 40 0 IIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000019523315 556780562 /nfs/dbraw/zinc/78/05/62/556780562.db2.gz OBANFLHXEPGQOO-MHZLTWQESA-N 1 1 428.580 4.277 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)cn1 ZINC000019524906 556782458 /nfs/dbraw/zinc/78/24/58/556782458.db2.gz ZGUDXKBNFLJXNL-MHZLTWQESA-N 1 1 445.611 4.315 40 0 IIABMO COc1cccc(C[N@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c1OC ZINC000019568097 556808098 /nfs/dbraw/zinc/80/80/98/556808098.db2.gz RIJQCHFIQOSPTN-GBXCKJPGSA-N 1 1 430.495 4.010 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 ZINC000019570013 556810200 /nfs/dbraw/zinc/81/02/00/556810200.db2.gz HQLGHYVOMDKQTA-HHHXNRCGSA-N 1 1 430.548 4.291 40 0 IIABMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 ZINC000019578340 556815699 /nfs/dbraw/zinc/81/56/99/556815699.db2.gz LQKSRJQZTWHOOM-UHFFFAOYSA-N 1 1 439.563 4.313 40 0 IIABMO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 ZINC000019578340 556815701 /nfs/dbraw/zinc/81/57/01/556815701.db2.gz LQKSRJQZTWHOOM-UHFFFAOYSA-N 1 1 439.563 4.313 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000019591732 556827508 /nfs/dbraw/zinc/82/75/08/556827508.db2.gz DNNSNWMSWKQQFX-MUUNZHRXSA-N 1 1 436.559 4.478 40 0 IIABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000019691919 556848020 /nfs/dbraw/zinc/84/80/20/556848020.db2.gz HZYVYAGSQIIQBY-RUZDIDTESA-N 1 1 432.568 4.305 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000019691919 556848023 /nfs/dbraw/zinc/84/80/23/556848023.db2.gz HZYVYAGSQIIQBY-RUZDIDTESA-N 1 1 432.568 4.305 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695720 556852409 /nfs/dbraw/zinc/85/24/09/556852409.db2.gz UNIFSOZCYLFWNR-NRFANRHFSA-N 1 1 445.542 4.178 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2c1CCC(=O)N2C ZINC000019741531 556883856 /nfs/dbraw/zinc/88/38/56/556883856.db2.gz RIHFMVATXGHWRO-NRFANRHFSA-N 1 1 427.552 4.136 40 0 IIABMO CC(C)(C)SCCNC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408926085 556892181 /nfs/dbraw/zinc/89/21/81/556892181.db2.gz OESHJPPZIQWHGI-UHFFFAOYSA-N 1 1 425.642 4.266 40 0 IIABMO O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019752765 556896496 /nfs/dbraw/zinc/89/64/96/556896496.db2.gz ZHSBDNMKWRDOCD-JOCHJYFZSA-N 1 1 432.543 4.358 40 0 IIABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758080 556901837 /nfs/dbraw/zinc/90/18/37/556901837.db2.gz IHNHYNKNDCIGDE-SFHVURJKSA-N 1 1 444.514 4.122 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000072341428 556913687 /nfs/dbraw/zinc/91/36/87/556913687.db2.gz FJRRBMMJYXDOIQ-RXVVDRJESA-N 1 1 443.613 4.420 40 0 IIABMO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352429 556924213 /nfs/dbraw/zinc/92/42/13/556924213.db2.gz VHSQAMDVACFMRL-KRWDZBQOSA-N 1 1 427.614 4.278 40 0 IIABMO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352429 556924216 /nfs/dbraw/zinc/92/42/16/556924216.db2.gz VHSQAMDVACFMRL-KRWDZBQOSA-N 1 1 427.614 4.278 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@H+](CC(=O)N(C)C4CCCCC4)C3)nc2)n1 ZINC000072353274 556926241 /nfs/dbraw/zinc/92/62/41/556926241.db2.gz WXZPKCLJVSINHT-HXUWFJFHSA-N 1 1 436.604 4.203 40 0 IIABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359792 556932878 /nfs/dbraw/zinc/93/28/78/556932878.db2.gz QSNNWAFYJGWFGS-GOSISDBHSA-N 1 1 432.490 4.353 40 0 IIABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370731 556936394 /nfs/dbraw/zinc/93/63/94/556936394.db2.gz XWAYTHFEVIEPFV-SFHVURJKSA-N 1 1 437.613 4.104 40 0 IIABMO Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[N@H+](C)CC3CCCCC3)nc21 ZINC000072371040 556936987 /nfs/dbraw/zinc/93/69/87/556936987.db2.gz XJKALUQZQUVIQD-UHFFFAOYSA-N 1 1 436.600 4.464 40 0 IIABMO Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[N@@H+](C)CC3CCCCC3)nc21 ZINC000072371040 556936989 /nfs/dbraw/zinc/93/69/89/556936989.db2.gz XJKALUQZQUVIQD-UHFFFAOYSA-N 1 1 436.600 4.464 40 0 IIABMO COc1cccc(CC(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)c1 ZINC000072372539 556943180 /nfs/dbraw/zinc/94/31/80/556943180.db2.gz KSEBQGUJBIDGMK-HSZRJFAPSA-N 1 1 431.540 4.455 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)COc3ccccc3F)c2)n1 ZINC000072372589 556943206 /nfs/dbraw/zinc/94/32/06/556943206.db2.gz KJBSYVYXDRMKBX-OAQYLSRUSA-N 1 1 435.503 4.422 40 0 IIABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072374769 556948872 /nfs/dbraw/zinc/94/88/72/556948872.db2.gz ZEHHEAZNMCSFKJ-OAQYLSRUSA-N 1 1 434.971 4.135 40 0 IIABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072374769 556948876 /nfs/dbraw/zinc/94/88/76/556948876.db2.gz ZEHHEAZNMCSFKJ-OAQYLSRUSA-N 1 1 434.971 4.135 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCOCC1 ZINC000072380039 556957262 /nfs/dbraw/zinc/95/72/62/556957262.db2.gz KGYVMSNTJPCHEA-FQEVSTJZSA-N 1 1 435.593 4.366 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000072398603 556970391 /nfs/dbraw/zinc/97/03/91/556970391.db2.gz HREILENEUGTJQZ-CPJSRVTESA-N 1 1 449.595 4.482 40 0 IIABMO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]21)c1ccsc1 ZINC000585110118 557042507 /nfs/dbraw/zinc/04/25/07/557042507.db2.gz KYRSVJHUZLYXSL-FCHUYYIVSA-N 1 1 431.561 4.172 40 0 IIABMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005092134 557047982 /nfs/dbraw/zinc/04/79/82/557047982.db2.gz MYCKDCIJPLTQDW-OWJWWREXSA-N 1 1 427.545 4.192 40 0 IIABMO CC(C)CN1[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145767 557175426 /nfs/dbraw/zinc/17/54/26/557175426.db2.gz GLYWREVQRCPIRN-SFTDATJTSA-N 1 1 449.016 4.412 40 0 IIABMO CC(C)CN1[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145767 557175430 /nfs/dbraw/zinc/17/54/30/557175430.db2.gz GLYWREVQRCPIRN-SFTDATJTSA-N 1 1 449.016 4.412 40 0 IIABMO O=C(N1CCC[C@@H](Cc2ccc3[nH+]ccn3c2)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000585261917 557197757 /nfs/dbraw/zinc/19/77/57/557197757.db2.gz SBQRITLGIMXKOV-HXUWFJFHSA-N 1 1 435.543 4.393 40 0 IIABMO CCc1ccc(NC(=O)C[N@@H+]2[C@H](c3cccc(OC)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cc1 ZINC000585262197 557201302 /nfs/dbraw/zinc/20/13/02/557201302.db2.gz DKQVFACWXGMWLI-DPZBCOQUSA-N 1 1 449.595 4.461 40 0 IIABMO CCc1ccc(NC(=O)C[N@H+]2[C@H](c3cccc(OC)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cc1 ZINC000585262197 557201304 /nfs/dbraw/zinc/20/13/04/557201304.db2.gz DKQVFACWXGMWLI-DPZBCOQUSA-N 1 1 449.595 4.461 40 0 IIABMO CCc1nccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273524 557215809 /nfs/dbraw/zinc/21/58/09/557215809.db2.gz PDDQNBKOFNHVDZ-HHHXNRCGSA-N 1 1 449.595 4.321 40 0 IIABMO Fc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928506 557271564 /nfs/dbraw/zinc/27/15/64/557271564.db2.gz LGNUYENXOUKSEF-XMMPIXPASA-N 1 1 434.563 4.225 40 0 IIABMO CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000100743699 557274265 /nfs/dbraw/zinc/27/42/65/557274265.db2.gz ASFLOVJFLPKMHH-QHAWAJNXSA-N 1 1 439.604 4.403 40 0 IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344829 557376957 /nfs/dbraw/zinc/37/69/57/557376957.db2.gz RSSFOWICYQFPOD-NRFANRHFSA-N 1 1 432.568 4.379 40 0 IIABMO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)ccc21 ZINC000225055999 557683544 /nfs/dbraw/zinc/68/35/44/557683544.db2.gz IYWPVARNAHXECE-UHFFFAOYSA-N 1 1 433.936 4.243 40 0 IIABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(OC)c4ccccc34)n2)cc1 ZINC000015674669 560231156 /nfs/dbraw/zinc/23/11/56/560231156.db2.gz HQPFBEGFHSCVOA-GCJKJVERSA-N 1 1 431.492 4.215 40 0 biogenic,in-vitro IIABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(OC)c4ccccc34)n2)cc1 ZINC000015674669 560231158 /nfs/dbraw/zinc/23/11/58/560231158.db2.gz HQPFBEGFHSCVOA-GCJKJVERSA-N 1 1 431.492 4.215 40 0 biogenic,in-vitro IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585270051 568616899 /nfs/dbraw/zinc/61/68/99/568616899.db2.gz BHMSJIZUSCKDGG-AREMUKBSSA-N 1 1 435.568 4.067 40 0 IIABMO Cc1cnn(CCOc2cccc(C[N@H+]3CCC[C@@](O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585270632 568617174 /nfs/dbraw/zinc/61/71/74/568617174.db2.gz HCZHRQUQASLRBZ-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO Cc1nccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274774 568618574 /nfs/dbraw/zinc/61/85/74/568618574.db2.gz ZLLRMFRKRUBJCV-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774046 568625948 /nfs/dbraw/zinc/62/59/48/568625948.db2.gz RRNLSRWDBCCRJH-CLOONOSVSA-N 1 1 425.573 4.214 40 0 IIABMO CC[C@H](C)C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221037 568674891 /nfs/dbraw/zinc/67/48/91/568674891.db2.gz DNGIFFZEYGCUQE-YADARESESA-N 1 1 437.024 4.404 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCN(C)[C@@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248667 568687893 /nfs/dbraw/zinc/68/78/93/568687893.db2.gz JESBUFSHRPMLJB-RUZDIDTESA-N 1 1 432.568 4.156 40 0 IIABMO O=C(Cn1cccc2cc(-c3ccc(F)cc3)nc1-2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000257252585 568689711 /nfs/dbraw/zinc/68/97/11/568689711.db2.gz JVGYJUXDPVFOBB-UHFFFAOYSA-N 1 1 428.511 4.138 40 0 IIABMO Fc1cccc(Oc2cccc([C@H]3CCC[N@@H+](Cc4ccnc(N5CCOCC5)n4)C3)n2)c1 ZINC000257256202 568691440 /nfs/dbraw/zinc/69/14/40/568691440.db2.gz KKLVLNULSUBMIZ-IBGZPJMESA-N 1 1 449.530 4.019 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)nc2)n1 ZINC000257264061 568694802 /nfs/dbraw/zinc/69/48/02/568694802.db2.gz LSSQTLOIVUHLOU-XMMPIXPASA-N 1 1 426.524 4.354 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)nc2)n1 ZINC000257264061 568694806 /nfs/dbraw/zinc/69/48/06/568694806.db2.gz LSSQTLOIVUHLOU-XMMPIXPASA-N 1 1 426.524 4.354 40 0 IIABMO Cn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c2ccccc21 ZINC000257292196 568707473 /nfs/dbraw/zinc/70/74/73/568707473.db2.gz QKLBCOSRJRGWJF-AREMUKBSSA-N 1 1 448.542 4.246 40 0 IIABMO Cn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c2ccccc21 ZINC000257292196 568707477 /nfs/dbraw/zinc/70/74/77/568707477.db2.gz QKLBCOSRJRGWJF-AREMUKBSSA-N 1 1 448.542 4.246 40 0 IIABMO Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257335526 568726783 /nfs/dbraw/zinc/72/67/83/568726783.db2.gz YKNZVAPPKKTYJR-QGZVFWFLSA-N 1 1 429.571 4.186 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129077 568765447 /nfs/dbraw/zinc/76/54/47/568765447.db2.gz HTWUOOZYSMRVNT-XUZZJYLKSA-N 1 1 426.992 4.346 40 0 IIABMO O=C1N(Cc2cccnc2)CC[C@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306133071 568767747 /nfs/dbraw/zinc/76/77/47/568767747.db2.gz MAWXXDZJNFFLJW-ILBGXUMGSA-N 1 1 432.955 4.148 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC000306137246 568769993 /nfs/dbraw/zinc/76/99/93/568769993.db2.gz QQMHUOLHBNWISE-IGKIAQTJSA-N 1 1 443.595 4.186 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306141734 568772364 /nfs/dbraw/zinc/77/23/64/568772364.db2.gz WEXXIWRMGLSNOW-XUZZJYLKSA-N 1 1 426.992 4.346 40 0 IIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5nccs5)C4)nn3c2)c1OC ZINC000306143736 568773344 /nfs/dbraw/zinc/77/33/44/568773344.db2.gz YLBLQVPNPHZLJI-QGZVFWFLSA-N 1 1 435.553 4.250 40 0 IIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5nccs5)C4)nn3c2)c1OC ZINC000306143736 568773345 /nfs/dbraw/zinc/77/33/45/568773345.db2.gz YLBLQVPNPHZLJI-QGZVFWFLSA-N 1 1 435.553 4.250 40 0 IIABMO CC(C)[C@H](CO)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000328980786 568808352 /nfs/dbraw/zinc/80/83/52/568808352.db2.gz GPDPIORRKMEZEG-IBGZPJMESA-N 1 1 436.478 4.244 40 0 IIABMO COCCn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)ccc21 ZINC000257198982 568921624 /nfs/dbraw/zinc/92/16/24/568921624.db2.gz NXJGYADPPJAYQP-WSKLTFMVSA-N 1 1 433.596 4.323 40 0 IIABMO COCCn1ccc2c1cccc2C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199209 568921911 /nfs/dbraw/zinc/92/19/11/568921911.db2.gz WPYRGFYFQPALLS-XIUDZHQXSA-N 1 1 433.596 4.323 40 0 IIABMO O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000247962893 569206711 /nfs/dbraw/zinc/20/67/11/569206711.db2.gz YGXGUXDMZNXTPE-VGOFRKELSA-N 1 1 436.531 4.013 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000019555098 569227111 /nfs/dbraw/zinc/22/71/11/569227111.db2.gz BLUMNIDFEGVAGV-HFZDXXHNSA-N 1 1 445.563 4.482 40 0 IIABMO CCc1nc(-c2cncnc2[C@H]2CC[N@@H+](Cc3ccc(OC(C)C)c(COC)c3)C2)no1 ZINC000019693715 569229192 /nfs/dbraw/zinc/22/91/92/569229192.db2.gz IYAVWTFTFVRHDP-SFHVURJKSA-N 1 1 437.544 4.012 40 0 IIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695792 569229662 /nfs/dbraw/zinc/22/96/62/569229662.db2.gz REUSHXAFZGKNIZ-HSZRJFAPSA-N 1 1 441.579 4.082 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ccccn3)CC2)sc1CCOc1ccccc1F ZINC000019696261 569229702 /nfs/dbraw/zinc/22/97/02/569229702.db2.gz NQUVRFUNWPQMJY-DEOSSOPVSA-N 1 1 441.572 4.481 40 0 IIABMO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)cc1 ZINC000020241869 569241330 /nfs/dbraw/zinc/24/13/30/569241330.db2.gz ZXSCQLDWVWQNIE-UHFFFAOYSA-N 1 1 431.536 4.278 40 0 IIABMO CNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)nc2ccccc21 ZINC000019761921 569328783 /nfs/dbraw/zinc/32/87/83/569328783.db2.gz WSJPACKPFMOWHF-LJQANCHMSA-N 1 1 439.519 4.166 40 0 IIABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccc5ccccc5c3)c4=O)C2)CC1 ZINC000004260398 291378136 /nfs/dbraw/zinc/37/81/36/291378136.db2.gz BKPOISOUNVHURF-GBXCKJPGSA-N 1 1 441.575 4.099 40 0 biogenic,in-vitro IIABMO COc1ccc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408604035 555973418 /nfs/dbraw/zinc/97/34/18/555973418.db2.gz CVXDNGRVVNCXHW-LJQANCHMSA-N 1 1 429.358 4.121 40 0 IIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)cc1 ZINC000012088039 556400908 /nfs/dbraw/zinc/40/09/08/556400908.db2.gz YTUGZVYHFGGCNQ-JOCHJYFZSA-N 1 1 425.536 4.390 40 0 IIABMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000039757788 556441677 /nfs/dbraw/zinc/44/16/77/556441677.db2.gz OYYTUNLFZRXCAJ-UHFFFAOYSA-N 1 1 433.930 4.179 40 0 IIABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)[N@@H+]2C=Cc4ccccc4[C@@H]32)c(C)c1 ZINC000033931156 556569680 /nfs/dbraw/zinc/56/96/80/556569680.db2.gz NOGABQKHFOYBGO-LUKWVAJMSA-N 1 1 428.532 4.434 40 0 IIABMO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000038831287 556621745 /nfs/dbraw/zinc/62/17/45/556621745.db2.gz SIVIGJRUDWBFKL-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000514289359 556625828 /nfs/dbraw/zinc/62/58/28/556625828.db2.gz IVZKIIAUDQXHDQ-WPFOTENUSA-N 1 1 428.598 4.130 40 0 biogenic,in-vitro IIABMO COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000514289359 556625830 /nfs/dbraw/zinc/62/58/30/556625830.db2.gz IVZKIIAUDQXHDQ-WPFOTENUSA-N 1 1 428.598 4.130 40 0 biogenic,in-vitro IIABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857167 556672790 /nfs/dbraw/zinc/67/27/90/556672790.db2.gz DIJVWTCLAQTOAJ-IBGZPJMESA-N 1 1 448.588 4.139 40 0 IIABMO O=C(CCC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1)Nc1nccs1 ZINC000257323663 556704515 /nfs/dbraw/zinc/70/45/15/556704515.db2.gz WLHGJATZXKKBJR-FCHUYYIVSA-N 1 1 448.592 4.183 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230818 556708967 /nfs/dbraw/zinc/70/89/67/556708967.db2.gz GEBMKIORUWCPAU-QPPBQGQZSA-N 1 1 446.494 4.067 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230818 556708968 /nfs/dbraw/zinc/70/89/68/556708968.db2.gz GEBMKIORUWCPAU-QPPBQGQZSA-N 1 1 446.494 4.067 40 0 IIABMO COc1ccccc1-c1cccc(CC2(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CCOCC2)c1 ZINC000257231819 556709344 /nfs/dbraw/zinc/70/93/44/556709344.db2.gz GIHURWAXKOLCQQ-QFIPXVFZSA-N 1 1 436.596 4.160 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269385 556713413 /nfs/dbraw/zinc/71/34/13/556713413.db2.gz MPSPTACRODZUPH-JTHBVZDNSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269385 556713417 /nfs/dbraw/zinc/71/34/17/556713417.db2.gz MPSPTACRODZUPH-JTHBVZDNSA-N 1 1 448.485 4.484 40 0 IIABMO Cc1cc(C)n(CCCOc2cccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)c2)n1 ZINC000257274908 556714138 /nfs/dbraw/zinc/71/41/38/556714138.db2.gz NNDZAZIZGFRPHF-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@](C(=O)N(C)C)(c2ccccn2)C1 ZINC000257286855 556715569 /nfs/dbraw/zinc/71/55/69/556715569.db2.gz PNIMGOKHRXAVTB-HHHXNRCGSA-N 1 1 429.564 4.379 40 0 IIABMO Cn1c2ccccc2nc1C[N@H+]1CC=CC[C@@]2(C(=O)NCc3ccc(F)cc3)CCC[C@@H]12 ZINC000019289935 556729537 /nfs/dbraw/zinc/72/95/37/556729537.db2.gz ZJRCCRHANMJVEB-ZEQKJWHPSA-N 1 1 432.543 4.330 40 0 IIABMO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019370223 556747846 /nfs/dbraw/zinc/74/78/46/556747846.db2.gz JXDSIQMYQWZVBB-QFIPXVFZSA-N 1 1 448.592 4.098 40 0 IIABMO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019370223 556747849 /nfs/dbraw/zinc/74/78/49/556747849.db2.gz JXDSIQMYQWZVBB-QFIPXVFZSA-N 1 1 448.592 4.098 40 0 IIABMO O=C(C[NH+]1CCC(c2nc(-c3ccncc3)n[nH]2)CC1)Nc1ccccc1-c1ccccc1 ZINC000019374317 556750945 /nfs/dbraw/zinc/75/09/45/556750945.db2.gz INEHABPNBFVRDA-UHFFFAOYSA-N 1 1 438.535 4.352 40 0 IIABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400619 556753194 /nfs/dbraw/zinc/75/31/94/556753194.db2.gz LEHFGDXBKSYYEZ-NTKDMRAZSA-N 1 1 443.576 4.470 40 0 IIABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019448953 556759039 /nfs/dbraw/zinc/75/90/39/556759039.db2.gz UMIDYTSIFAOTBX-MHZLTWQESA-N 1 1 428.580 4.493 40 0 IIABMO COc1ncc(C[NH+]2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)cn1 ZINC000019452434 556763448 /nfs/dbraw/zinc/76/34/48/556763448.db2.gz XBPBEAGLQWBQCZ-UHFFFAOYSA-N 1 1 434.466 4.050 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccc(F)cc4)[nH]c(=O)c3C2)CC1 ZINC000019496002 556768594 /nfs/dbraw/zinc/76/85/94/556768594.db2.gz JROFTVQXGDNICF-ORWMALAUSA-N 1 1 438.547 4.235 40 0 IIABMO CCN1CC[N@@H+](Cc2ccc(OC)cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527709 556787005 /nfs/dbraw/zinc/78/70/05/556787005.db2.gz YHDKGBWEJRLGHW-DEOSSOPVSA-N 1 1 429.564 4.280 40 0 IIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019529140 556790559 /nfs/dbraw/zinc/79/05/59/556790559.db2.gz LWNIKKVDEDACHZ-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccccc2OC)C1 ZINC000019529153 556790599 /nfs/dbraw/zinc/79/05/99/556790599.db2.gz UJIHIXVOCZLHRQ-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO CCOCc1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019531157 556791738 /nfs/dbraw/zinc/79/17/38/556791738.db2.gz QDRKEIAGVVNACZ-QFIPXVFZSA-N 1 1 434.540 4.104 40 0 IIABMO CCOCc1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019531157 556791742 /nfs/dbraw/zinc/79/17/42/556791742.db2.gz QDRKEIAGVVNACZ-QFIPXVFZSA-N 1 1 434.540 4.104 40 0 IIABMO Cc1c2ccccc2oc1C(=O)N1CCC(O)(C[N@H+]2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019566024 556806496 /nfs/dbraw/zinc/80/64/96/556806496.db2.gz AEQZPKLBMHKWFK-JOCHJYFZSA-N 1 1 433.552 4.331 40 0 IIABMO CC[C@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@H+]1CC ZINC000004217049 556821356 /nfs/dbraw/zinc/82/13/56/556821356.db2.gz AELTZOPKAFPBLU-LAUBAEHRSA-N 1 1 428.646 4.104 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019591290 556826523 /nfs/dbraw/zinc/82/65/23/556826523.db2.gz ZXNDDWZUJXCHDJ-HHHXNRCGSA-N 1 1 429.564 4.328 40 0 IIABMO COCCC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019593240 556829824 /nfs/dbraw/zinc/82/98/24/556829824.db2.gz YJDADOUQVXDNLU-JOCHJYFZSA-N 1 1 436.383 4.494 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000008586312 556841852 /nfs/dbraw/zinc/84/18/52/556841852.db2.gz SDACTFXNGMCQLR-JOCHJYFZSA-N 1 1 438.616 4.474 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cc1 ZINC000019694661 556850809 /nfs/dbraw/zinc/85/08/09/556850809.db2.gz KLKSFTWHMXOFBG-HXUWFJFHSA-N 1 1 445.567 4.036 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cc1 ZINC000019694661 556850812 /nfs/dbraw/zinc/85/08/12/556850812.db2.gz KLKSFTWHMXOFBG-HXUWFJFHSA-N 1 1 445.567 4.036 40 0 IIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)C[C@H]4CC=CCC4)nc32)c1 ZINC000019698623 556857084 /nfs/dbraw/zinc/85/70/84/556857084.db2.gz IUQGBSVTOYPXFF-NRFANRHFSA-N 1 1 434.584 4.104 40 0 IIABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)C[C@H]4CC=CCC4)nc32)c1 ZINC000019698623 556857086 /nfs/dbraw/zinc/85/70/86/556857086.db2.gz IUQGBSVTOYPXFF-NRFANRHFSA-N 1 1 434.584 4.104 40 0 IIABMO CC(C)NC(=O)c1cc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc2ccccc21 ZINC000019759726 556903480 /nfs/dbraw/zinc/90/34/80/556903480.db2.gz AJTHTGDFEDLJCX-AREMUKBSSA-N 1 1 440.547 4.495 40 0 IIABMO CC(C)NC(=O)c1cc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc2ccccc21 ZINC000019759726 556903485 /nfs/dbraw/zinc/90/34/85/556903485.db2.gz AJTHTGDFEDLJCX-AREMUKBSSA-N 1 1 440.547 4.495 40 0 IIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000072351283 556920952 /nfs/dbraw/zinc/92/09/52/556920952.db2.gz UDYHQPIBEFZRHE-RXVVDRJESA-N 1 1 445.558 4.153 40 0 IIABMO COc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372682 556943744 /nfs/dbraw/zinc/94/37/44/556943744.db2.gz SDENRWDTEDHZLQ-QFIPXVFZSA-N 1 1 447.539 4.453 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000072374870 556949469 /nfs/dbraw/zinc/94/94/69/556949469.db2.gz WZNCZNWOPUNTPS-IBGZPJMESA-N 1 1 448.546 4.498 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(Nc4cnccn4)cc(C)n3)C1)OCCO2 ZINC000072375041 556950561 /nfs/dbraw/zinc/95/05/61/556950561.db2.gz GHRXTEDMFVGWIR-GOSISDBHSA-N 1 1 447.539 4.083 40 0 IIABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc3nc(C)cc(C)n3)n1)OCCO2 ZINC000072375790 556953081 /nfs/dbraw/zinc/95/30/81/556953081.db2.gz YBUVFNAEZVBIRZ-HXUWFJFHSA-N 1 1 447.539 4.349 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(Nc3nc(C)cc(C)n3)n1)OCCO2 ZINC000072375790 556953084 /nfs/dbraw/zinc/95/30/84/556953084.db2.gz YBUVFNAEZVBIRZ-HXUWFJFHSA-N 1 1 447.539 4.349 40 0 IIABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+](CC(=O)N(C)C4CCCCC4)C3)n2)n1 ZINC000072375953 556953698 /nfs/dbraw/zinc/95/36/98/556953698.db2.gz PVOZYTXWNQDOGN-HXUWFJFHSA-N 1 1 436.604 4.203 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3cccc(Nc4ccccn4)n3)C1)OCCO2 ZINC000072376101 556953838 /nfs/dbraw/zinc/95/38/38/556953838.db2.gz YBPWXPCQXPFSBP-SFHVURJKSA-N 1 1 432.524 4.380 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000072398662 556970384 /nfs/dbraw/zinc/97/03/84/556970384.db2.gz CIHJJHNMJQTKQT-LVXARBLLSA-N 1 1 444.579 4.485 40 0 IIABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257277177 556993317 /nfs/dbraw/zinc/99/33/17/556993317.db2.gz NWTKMFHFVNJVJQ-LLMJNHHCSA-N 1 1 428.577 4.041 40 0 IIABMO C[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]12 ZINC000096145284 557174754 /nfs/dbraw/zinc/17/47/54/557174754.db2.gz MYMHVUFFYLJEON-NFBKMPQASA-N 1 1 426.948 4.297 40 0 IIABMO CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000008831723 557175412 /nfs/dbraw/zinc/17/54/12/557175412.db2.gz HGJZWDWCHVVOHS-UHFFFAOYSA-N 1 1 447.004 4.006 40 0 IIABMO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CCCO2)cc1 ZINC000585262576 557202672 /nfs/dbraw/zinc/20/26/72/557202672.db2.gz UNLVBCPRLYGXCA-RXFWQSSRSA-N 1 1 440.559 4.051 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585270241 557214259 /nfs/dbraw/zinc/21/42/59/557214259.db2.gz ASRBXFXOSPGLAA-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO C[C@H](c1ccccc1)[N@@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CCN(C)CC1 ZINC000057774294 557263988 /nfs/dbraw/zinc/26/39/88/557263988.db2.gz YJNJROXHIONBDN-JOCHJYFZSA-N 1 1 446.639 4.052 40 0 IIABMO C[C@H](c1ccccc1)N(CCN1CCN2CCCc3cccc(c32)C1=O)C1CC[NH+](C)CC1 ZINC000057774294 557263991 /nfs/dbraw/zinc/26/39/91/557263991.db2.gz YJNJROXHIONBDN-JOCHJYFZSA-N 1 1 446.639 4.052 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000223679621 557501307 /nfs/dbraw/zinc/50/13/07/557501307.db2.gz JHKPNWFMMVWIEJ-KQWNVCNZSA-N 1 1 442.544 4.330 40 0 IIABMO CCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004577396 557541987 /nfs/dbraw/zinc/54/19/87/557541987.db2.gz VOIDCPDDVXAFDG-HXUWFJFHSA-N 1 1 435.634 4.071 40 0 IIABMO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224545246 557619934 /nfs/dbraw/zinc/61/99/34/557619934.db2.gz ZKGMHAZCDLKNCO-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224790327 557651650 /nfs/dbraw/zinc/65/16/50/557651650.db2.gz PFCFGRHGGFJMGZ-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO CCOC(=O)c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000225458312 557725125 /nfs/dbraw/zinc/72/51/25/557725125.db2.gz IWWYPWFMMVAIQC-UHFFFAOYSA-N 1 1 428.945 4.497 40 0 IIABMO CC[C@@H]1c2ccc(OC)c3c2[C@]24CC[N@H+](C)[C@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@@]4(C)O3 ZINC000253504112 560037812 /nfs/dbraw/zinc/03/78/12/560037812.db2.gz CQJSMSATJDJBEL-PCULJCQDSA-N 1 1 439.596 4.028 40 0 biogenic,in-vitro IIABMO Cc1cccc(C[N@H+]2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)c1 ZINC000257202973 568666684 /nfs/dbraw/zinc/66/66/84/568666684.db2.gz AOCMLZKBMIHDEE-QFIPXVFZSA-N 1 1 447.627 4.491 40 0 IIABMO Cn1c2ccc(C[N@H+]3CC[C@@H](Nc4ccccc4)[C@@H](Cc4ccccc4)C3)cc2n(C)c1=O ZINC000257256586 568691481 /nfs/dbraw/zinc/69/14/81/568691481.db2.gz KMCUFOKGXNYNND-UKILVPOCSA-N 1 1 440.591 4.422 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257259783 568692927 /nfs/dbraw/zinc/69/29/27/568692927.db2.gz KZZADRYHEKFNAH-JOCHJYFZSA-N 1 1 440.547 4.119 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257259784 568692979 /nfs/dbraw/zinc/69/29/79/568692979.db2.gz KZZADRYHEKFNAH-QFIPXVFZSA-N 1 1 440.547 4.119 40 0 IIABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257298687 568710499 /nfs/dbraw/zinc/71/04/99/568710499.db2.gz RMWRWFHHYFOAPX-QGZVFWFLSA-N 1 1 440.617 4.212 40 0 IIABMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257298687 568710501 /nfs/dbraw/zinc/71/05/01/568710501.db2.gz RMWRWFHHYFOAPX-QGZVFWFLSA-N 1 1 440.617 4.212 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cn1 ZINC000257304953 568713540 /nfs/dbraw/zinc/71/35/40/568713540.db2.gz SNWBFVRJGMWBNT-IBGZPJMESA-N 1 1 438.601 4.257 40 0 IIABMO COc1ccc(Oc2nccnc2C2CC[NH+](Cc3ccnc(N4CCCC4)n3)CC2)cc1 ZINC000257317625 568718879 /nfs/dbraw/zinc/71/88/79/568718879.db2.gz VKNTUQAMFVCSJZ-UHFFFAOYSA-N 1 1 446.555 4.047 40 0 IIABMO COCCc1ncc(C[N@H+]2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)cn1 ZINC000257345057 568730863 /nfs/dbraw/zinc/73/08/63/568730863.db2.gz ZZTUCSGSNYXDQO-IBGZPJMESA-N 1 1 438.601 4.175 40 0 IIABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2cccnc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306130981 568766526 /nfs/dbraw/zinc/76/65/26/568766526.db2.gz JTZXWQZSBVBPQX-RPLLCQBOSA-N 1 1 443.595 4.267 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133288 568767643 /nfs/dbraw/zinc/76/76/43/568767643.db2.gz MHQZJPCQMZSRLV-IAPPQJPRSA-N 1 1 441.575 4.151 40 0 IIABMO CC(C)c1nc2c(n1CC1CCC1)-c1ccccc1OC21CC[NH+](CC(=O)N(C)C)CC1 ZINC000306136038 568769226 /nfs/dbraw/zinc/76/92/26/568769226.db2.gz PHDIBMBAGOBSSR-UHFFFAOYSA-N 1 1 436.600 4.245 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137214 568770003 /nfs/dbraw/zinc/77/00/03/568770003.db2.gz QPBNBSHKQYKWLS-NVQXNPDNSA-N 1 1 447.558 4.016 40 0 IIABMO O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000247962898 569206698 /nfs/dbraw/zinc/20/66/98/569206698.db2.gz YGXGUXDMZNXTPE-VGSWGCGISA-N 1 1 436.531 4.013 40 0 IIABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)C(C)C ZINC000247998975 569206844 /nfs/dbraw/zinc/20/68/44/569206844.db2.gz NDQNERDUFDHKSZ-BXTSTYNKSA-N 1 1 447.623 4.089 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000019565022 569227049 /nfs/dbraw/zinc/22/70/49/569227049.db2.gz OWNMDAOWONQVCU-YIXXDRMTSA-N 1 1 429.564 4.402 40 0 IIABMO COc1ccc(-c2nc([C@H]3CCC[N@@H+](Cc4cccc(OC(C)C)c4)C3)[nH]c2C(N)=O)cc1 ZINC000019698938 569230292 /nfs/dbraw/zinc/23/02/92/569230292.db2.gz VAUJBTCDPNHKKX-FQEVSTJZSA-N 1 1 448.567 4.351 40 0 IIABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702481 569232047 /nfs/dbraw/zinc/23/20/47/569232047.db2.gz AESNCQVLWYCPNK-MRXNPFEDSA-N 1 1 449.555 4.326 40 0 IIABMO CC[NH+]1CCC(CC(=O)N2CC[C@H](c3ccc4c(n[nH]c4NCc4ccccc4)n3)C2)CC1 ZINC000019705103 569234016 /nfs/dbraw/zinc/23/40/16/569234016.db2.gz FRBGFGUISQDQGC-NRFANRHFSA-N 1 1 446.599 4.008 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC3=CCCOC3)CC2)sc1CCOc1ccccc1 ZINC000019705234 569234092 /nfs/dbraw/zinc/23/40/92/569234092.db2.gz RGYQTIWMJMRPJE-XMMPIXPASA-N 1 1 428.598 4.093 40 0 IIABMO CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)Cn3cc[nH+]c3C(C)C)cc2)C1 ZINC000019711748 569234879 /nfs/dbraw/zinc/23/48/79/569234879.db2.gz BXIPGJWWKRIOIR-VSKRKVRLSA-N 1 1 426.561 4.026 40 0 IIABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1OC ZINC000033667442 569245732 /nfs/dbraw/zinc/24/57/32/569245732.db2.gz GMMRDVYVXMPYHK-UHFFFAOYSA-N 1 1 449.414 4.350 40 0 IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000009304859 569295215 /nfs/dbraw/zinc/29/52/15/569295215.db2.gz ZXXBAAIJVVBJMR-ZSQFBXSQSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000009304859 569295216 /nfs/dbraw/zinc/29/52/16/569295216.db2.gz ZXXBAAIJVVBJMR-ZSQFBXSQSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCC[N@H+]2CCc2ccccc2)cc1 ZINC000019752112 569328404 /nfs/dbraw/zinc/32/84/04/569328404.db2.gz PPSPJPBUNBMSFP-DEOSSOPVSA-N 1 1 430.552 4.103 40 0 IIABMO CN(CCO)C(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc2ccccc21 ZINC000019761717 569328725 /nfs/dbraw/zinc/32/87/25/569328725.db2.gz ZPVYLGKBVWAAKS-QGZVFWFLSA-N 1 1 441.934 4.081 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765128 569329113 /nfs/dbraw/zinc/32/91/13/569329113.db2.gz NJBQPKCAPKYESB-LJQANCHMSA-N 1 1 434.515 4.435 40 0 IIABMO OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225473663 291386213 /nfs/dbraw/zinc/38/62/13/291386213.db2.gz GLJVGPZUHAATBX-UHFFFAOYSA-N 1 1 437.584 4.324 40 0 biogenic,in-vitro IIABMO CCOc1cc(CCC(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)on1 ZINC000012088137 520692352 /nfs/dbraw/zinc/69/23/52/520692352.db2.gz ADTMDNBDWHVVFI-KRWDZBQOSA-N 1 1 439.560 4.270 40 0 IIABMO COc1cc(OC)c(OC)cc1C[N@H+]1Cc2ccccc2OC2(CCC(CO)CC2)C1 ZINC000012126478 522823936 /nfs/dbraw/zinc/82/39/36/522823936.db2.gz WZKKIGHWMQEBGW-UHFFFAOYSA-N 1 1 427.541 4.028 40 0 IIABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1ccc(Br)cc1 ZINC000408572179 555915646 /nfs/dbraw/zinc/91/56/46/555915646.db2.gz FMQHHBDBHWPHQJ-UHFFFAOYSA-N 1 1 449.414 4.350 40 0 IIABMO COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCC[N@H+]32)cc1O ZINC000003847180 555948423 /nfs/dbraw/zinc/94/84/23/555948423.db2.gz TYTIBYQBVJUCGJ-FCEUIQTBSA-N 1 1 425.525 4.340 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@@H]32)c(OC)c1 ZINC000036719487 556309706 /nfs/dbraw/zinc/30/97/06/556309706.db2.gz PMBSDMZFIWCRCJ-NJYVYQBISA-N 1 1 427.541 4.498 40 0 IIABMO COc1cc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000036370639 556597577 /nfs/dbraw/zinc/59/75/77/556597577.db2.gz SMDGYUXIZWCCHF-AWKKRCEGSA-N 1 1 441.524 4.414 40 0 IIABMO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000038831278 556621704 /nfs/dbraw/zinc/62/17/04/556621704.db2.gz MEKIGYIATBXZTP-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834838 556622811 /nfs/dbraw/zinc/62/28/11/556622811.db2.gz QTOSMBKLRGTBKQ-OAHLLOKOSA-N 1 1 438.284 4.281 40 0 IIABMO COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC000514290041 556626076 /nfs/dbraw/zinc/62/60/76/556626076.db2.gz VWKWCVVECNVORZ-WPFOTENUSA-N 1 1 430.614 4.376 40 0 biogenic,in-vitro IIABMO COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC000514290041 556626079 /nfs/dbraw/zinc/62/60/79/556626079.db2.gz VWKWCVVECNVORZ-WPFOTENUSA-N 1 1 430.614 4.376 40 0 biogenic,in-vitro IIABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857168 556672771 /nfs/dbraw/zinc/67/27/71/556672771.db2.gz DIJVWTCLAQTOAJ-LJQANCHMSA-N 1 1 448.588 4.139 40 0 IIABMO COc1cc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc(OC)c1OC ZINC000044917681 556681970 /nfs/dbraw/zinc/68/19/70/556681970.db2.gz FSMSJUFGAYNDIH-UHFFFAOYSA-N 1 1 446.547 4.201 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200819 556700929 /nfs/dbraw/zinc/70/09/29/556700929.db2.gz AFADXZVPNWQIDU-XNMGPUDCSA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200819 556700932 /nfs/dbraw/zinc/70/09/32/556700932.db2.gz AFADXZVPNWQIDU-XNMGPUDCSA-N 1 1 434.580 4.344 40 0 IIABMO Cn1nc([C@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1Cl ZINC000257209827 556702182 /nfs/dbraw/zinc/70/21/82/556702182.db2.gz BSAQEGNJWKGWCX-XMMPIXPASA-N 1 1 425.960 4.311 40 0 IIABMO Cn1nc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1Cl ZINC000257209827 556702186 /nfs/dbraw/zinc/70/21/86/556702186.db2.gz BSAQEGNJWKGWCX-XMMPIXPASA-N 1 1 425.960 4.311 40 0 IIABMO CC[N@H+]1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 ZINC000257323343 556704545 /nfs/dbraw/zinc/70/45/45/556704545.db2.gz WJTURLHADOUUQM-DEOSSOPVSA-N 1 1 436.596 4.302 40 0 IIABMO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1 ZINC000257225420 556708309 /nfs/dbraw/zinc/70/83/09/556708309.db2.gz FGCWHJOXAQQQIE-VWLOTQADSA-N 1 1 431.536 4.075 40 0 IIABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1 ZINC000257225420 556708311 /nfs/dbraw/zinc/70/83/11/556708311.db2.gz FGCWHJOXAQQQIE-VWLOTQADSA-N 1 1 431.536 4.075 40 0 IIABMO Cc1ccn(CCCOc2ccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)n1 ZINC000257229306 556709016 /nfs/dbraw/zinc/70/90/16/556709016.db2.gz FXOSWYZSNRBUBA-SANMLTNESA-N 1 1 435.568 4.067 40 0 IIABMO COc1ccccc1-c1cccc(CC2(C(=O)NCC[C@@H]3CCC[N@H+]3C)CCOCC2)c1 ZINC000257273381 556714041 /nfs/dbraw/zinc/71/40/41/556714041.db2.gz NGIFHLWEGAYQNV-QHCPKHFHSA-N 1 1 436.596 4.302 40 0 IIABMO Cc1cccc([C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4C)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019237557 556722677 /nfs/dbraw/zinc/72/26/77/556722677.db2.gz JNWROGWTONVHRA-WNCULLNHSA-N 1 1 441.579 4.184 40 0 IIABMO O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019370221 556747823 /nfs/dbraw/zinc/74/78/23/556747823.db2.gz RACWTOWUZKAZOW-HSZRJFAPSA-N 1 1 434.584 4.169 40 0 IIABMO O=C(N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400903 556753400 /nfs/dbraw/zinc/75/34/00/556753400.db2.gz VQJVJDVXNVGRDF-GGAORHGYSA-N 1 1 435.568 4.255 40 0 IIABMO C[C@@H](CC[N@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 ZINC000019455644 556765673 /nfs/dbraw/zinc/76/56/73/556765673.db2.gz QYXYSPJQLRYFRP-IDISGSTGSA-N 1 1 428.580 4.447 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502847 556773990 /nfs/dbraw/zinc/77/39/90/556773990.db2.gz CSISCGGNXVMCNJ-RUZDIDTESA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502847 556773992 /nfs/dbraw/zinc/77/39/92/556773992.db2.gz CSISCGGNXVMCNJ-RUZDIDTESA-N 1 1 443.595 4.014 40 0 IIABMO CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019503565 556775337 /nfs/dbraw/zinc/77/53/37/556775337.db2.gz OBTCKCZMBZYFTO-HHHXNRCGSA-N 1 1 428.580 4.495 40 0 IIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000019523314 556780427 /nfs/dbraw/zinc/78/04/27/556780427.db2.gz OBANFLHXEPGQOO-HHHXNRCGSA-N 1 1 428.580 4.277 40 0 IIABMO CCN1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527706 556787062 /nfs/dbraw/zinc/78/70/62/556787062.db2.gz SKVXBTOIDWESGD-JOCHJYFZSA-N 1 1 445.611 4.292 40 0 IIABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)no2)cc1 ZINC000019555829 556799032 /nfs/dbraw/zinc/79/90/32/556799032.db2.gz PWPICUNPOMGEAQ-FQEVSTJZSA-N 1 1 435.524 4.001 40 0 IIABMO Cc1[nH+]ccn1CCCC(=O)N1CCC(c2noc3nc(C)cc(C(F)(F)F)c32)CC1 ZINC000019569004 556809146 /nfs/dbraw/zinc/80/91/46/556809146.db2.gz XGTVWPUXLXQWCZ-UHFFFAOYSA-N 1 1 435.450 4.241 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1OC ZINC000019584590 556822041 /nfs/dbraw/zinc/82/20/41/556822041.db2.gz RMFNCAIFODIQJH-IBGZPJMESA-N 1 1 433.556 4.001 40 0 IIABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019585265 556822444 /nfs/dbraw/zinc/82/24/44/556822444.db2.gz YWXPYBRUCHAHJO-NRFANRHFSA-N 1 1 433.556 4.349 40 0 IIABMO COc1ccc(NC(=O)[C@H]2C[C@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587650 556823657 /nfs/dbraw/zinc/82/36/57/556823657.db2.gz JRHLZFNEQBHRMP-YADARESESA-N 1 1 443.538 4.144 40 0 IIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3ccc(C)cc3OC)c2)cn1 ZINC000019690999 556846897 /nfs/dbraw/zinc/84/68/97/556846897.db2.gz YLNAWKBAUAAMHP-DEOSSOPVSA-N 1 1 430.552 4.466 40 0 IIABMO CCn1ncc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c1C ZINC000019694354 556850330 /nfs/dbraw/zinc/85/03/30/556850330.db2.gz KHSXUARHYSHNGF-QHCPKHFHSA-N 1 1 434.588 4.470 40 0 IIABMO CC(C)c1ncc(C[NH+]2CCC([C@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)cn1 ZINC000019698453 556856621 /nfs/dbraw/zinc/85/66/21/556856621.db2.gz CRQQNQGCRMNQNZ-RUZDIDTESA-N 1 1 432.612 4.459 40 0 IIABMO COc1cccc(CN2CCCc3c(C)nc([C@@H]4CCC[N@H+](C5CCOCC5)C4)nc32)c1 ZINC000019706628 556865007 /nfs/dbraw/zinc/86/50/07/556865007.db2.gz WKQRNRSYXDNGDI-OAQYLSRUSA-N 1 1 436.600 4.105 40 0 IIABMO Cc1[nH+]ccn1CCCC(=O)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019743964 556889306 /nfs/dbraw/zinc/88/93/06/556889306.db2.gz GWVLKOLBBBWXOE-DEOSSOPVSA-N 1 1 436.600 4.039 40 0 IIABMO CNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352524 556924543 /nfs/dbraw/zinc/92/45/43/556924543.db2.gz SSCGGAIJZPMTJX-OAHLLOKOSA-N 1 1 434.565 4.146 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 ZINC000072353270 556926253 /nfs/dbraw/zinc/92/62/53/556926253.db2.gz AYKLCDCYAKCJPW-LJQANCHMSA-N 1 1 446.555 4.059 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 ZINC000072353270 556926256 /nfs/dbraw/zinc/92/62/56/556926256.db2.gz AYKLCDCYAKCJPW-LJQANCHMSA-N 1 1 446.555 4.059 40 0 IIABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371243 556938100 /nfs/dbraw/zinc/93/81/00/556938100.db2.gz VXAXVTSIHSLIGC-MRXNPFEDSA-N 1 1 442.922 4.252 40 0 IIABMO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371243 556938104 /nfs/dbraw/zinc/93/81/04/556938104.db2.gz VXAXVTSIHSLIGC-MRXNPFEDSA-N 1 1 442.922 4.252 40 0 IIABMO CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000072380082 556957562 /nfs/dbraw/zinc/95/75/62/556957562.db2.gz OSOQZKJPDYZEHP-HXUWFJFHSA-N 1 1 437.609 4.348 40 0 IIABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(-c5cccc(F)c5)c4)C[C@H]32)c(OC)n1 ZINC000072392631 556963896 /nfs/dbraw/zinc/96/38/96/556963896.db2.gz BSXMUWAWHOFOCA-VAPDBKPJSA-N 1 1 449.526 4.030 40 0 IIABMO COc1ccccc1C[N@H+]1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395958 556968275 /nfs/dbraw/zinc/96/82/75/556968275.db2.gz AYUDPSPPJMMXEP-SANMLTNESA-N 1 1 433.552 4.263 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000072398581 556969976 /nfs/dbraw/zinc/96/99/76/556969976.db2.gz WERUYJYCNVSCAS-CVDCTZTESA-N 1 1 425.573 4.214 40 0 IIABMO CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000257203927 556980556 /nfs/dbraw/zinc/98/05/56/556980556.db2.gz ASFLOVJFLPKMHH-NJDAHSKKSA-N 1 1 439.604 4.403 40 0 IIABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCCC3)cc2c1 ZINC000006149495 557146340 /nfs/dbraw/zinc/14/63/40/557146340.db2.gz ZTHLPSAQUFSYOW-NRFANRHFSA-N 1 1 438.576 4.024 40 0 IIABMO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CCCO2)cc1 ZINC000585262571 557202566 /nfs/dbraw/zinc/20/25/66/557202566.db2.gz UNLVBCPRLYGXCA-FNZWTVRRSA-N 1 1 440.559 4.051 40 0 IIABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C1 ZINC000585280238 557219683 /nfs/dbraw/zinc/21/96/83/557219683.db2.gz KFYKXGYQEFMWFD-XMMPIXPASA-N 1 1 441.959 4.021 40 0 IIABMO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000219420285 557243971 /nfs/dbraw/zinc/24/39/71/557243971.db2.gz OTILXMBTIZDGMG-UHFFFAOYSA-N 1 1 427.372 4.007 40 0 IIABMO Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928508 557271687 /nfs/dbraw/zinc/27/16/87/557271687.db2.gz LGNUYENXOUKSEF-DEOSSOPVSA-N 1 1 434.563 4.225 40 0 IIABMO Fc1ccccc1COc1ccc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000022931453 557274658 /nfs/dbraw/zinc/27/46/58/557274658.db2.gz YKBFFCOYURURJT-UHFFFAOYSA-N 1 1 435.543 4.134 40 0 IIABMO Fc1ccccc1COc1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000022931453 557274662 /nfs/dbraw/zinc/27/46/62/557274662.db2.gz YKBFFCOYURURJT-UHFFFAOYSA-N 1 1 435.543 4.134 40 0 IIABMO C[N@@H+](CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)C1CCCCC1 ZINC000013565789 557343462 /nfs/dbraw/zinc/34/34/62/557343462.db2.gz YRLWECYRTZTXFI-UHFFFAOYSA-N 1 1 438.597 4.312 40 0 IIABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000222743381 557381921 /nfs/dbraw/zinc/38/19/21/557381921.db2.gz ODZJZDDKWYFRLV-OAHLLOKOSA-N 1 1 432.923 4.340 40 0 IIABMO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@H+]2Cc2ccc3nccnc3c2)c1 ZINC000072377123 557389357 /nfs/dbraw/zinc/38/93/57/557389357.db2.gz JRCCMKWXKDJPSW-QHCPKHFHSA-N 1 1 426.524 4.405 40 0 IIABMO CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000014271812 557431058 /nfs/dbraw/zinc/43/10/58/557431058.db2.gz SFXJHULJIIOTTJ-UHFFFAOYSA-N 1 1 447.004 4.007 40 0 IIABMO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224790260 557651656 /nfs/dbraw/zinc/65/16/56/557651656.db2.gz RTNMPARBRHUTOC-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OC ZINC000225576772 557745642 /nfs/dbraw/zinc/74/56/42/557745642.db2.gz GLQLNJINTUJMAE-UHFFFAOYSA-N 1 1 434.939 4.067 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270003 568616657 /nfs/dbraw/zinc/61/66/57/568616657.db2.gz AMFRDXIPLMHDHQ-SANMLTNESA-N 1 1 435.568 4.104 40 0 IIABMO COc1cccc(-c2cccc(C[N@H+]3CCC[C@@](C(=O)N(C)C)(c4ccccn4)C3)c2)c1 ZINC000257205916 568667886 /nfs/dbraw/zinc/66/78/86/568667886.db2.gz BBBDSRWRMYSOGN-MHZLTWQESA-N 1 1 429.564 4.379 40 0 IIABMO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3Cc2ccccc2)o1 ZINC000257251447 568689446 /nfs/dbraw/zinc/68/94/46/568689446.db2.gz JQUKHSSGUSASIZ-TWJOJJKGSA-N 1 1 443.591 4.472 40 0 IIABMO Cc1ccc(N2C[C@@]3(CCN(Cc4ccccc4OCC[NH+]4CCCC4)C3)OC2=O)cc1 ZINC000257277778 568701222 /nfs/dbraw/zinc/70/12/22/568701222.db2.gz NZIAPIXHDVRQJY-SANMLTNESA-N 1 1 435.568 4.071 40 0 IIABMO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3ccccc3-c3ccccc3F)CCN2C(C)=O)c1 ZINC000257278554 568701695 /nfs/dbraw/zinc/70/16/95/568701695.db2.gz OCRUVXSBZDUROX-AREMUKBSSA-N 1 1 445.538 4.258 40 0 IIABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4n[nH]c5ccc(C)cc54)CCO3)c2)s1 ZINC000257279292 568701972 /nfs/dbraw/zinc/70/19/72/568701972.db2.gz OFYMBBWASABBNE-FQEVSTJZSA-N 1 1 448.552 4.297 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cn1 ZINC000257304954 568713604 /nfs/dbraw/zinc/71/36/04/568713604.db2.gz SNWBFVRJGMWBNT-LJQANCHMSA-N 1 1 438.601 4.257 40 0 IIABMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCCC(=O)Nc1nccs1 ZINC000257320635 568720249 /nfs/dbraw/zinc/72/02/49/568720249.db2.gz VXRGXDHYEDYJEF-MOPGFXCFSA-N 1 1 444.601 4.277 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(Cc4ccccn4)C(=O)C[C@H]23)cc1 ZINC000306124298 568763200 /nfs/dbraw/zinc/76/32/00/568763200.db2.gz BMEVGTMXBBBJPZ-XCZPVHLTSA-N 1 1 441.575 4.425 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]2c1cccnc1 ZINC000306127556 568764697 /nfs/dbraw/zinc/76/46/97/568764697.db2.gz GBWDKXHDCFSKEL-AOYPEHQESA-N 1 1 447.966 4.132 40 0 IIABMO O=C(Nc1ccccc1)c1nnc2n1CC[C@@H]1C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000306133662 568767957 /nfs/dbraw/zinc/76/79/57/568767957.db2.gz MSJWOUXTXWFIFV-VQIMIIECSA-N 1 1 441.457 4.169 40 0 IIABMO Cc1cccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC000306138025 568770384 /nfs/dbraw/zinc/77/03/84/568770384.db2.gz RMZPFTMMHLZUFD-SQHAQQRYSA-N 1 1 443.595 4.186 40 0 IIABMO COc1ccccc1C[N@@H+]1Cc2c(nc(C)n2C(C)C)C2(CCN(c3ncccn3)CC2)C1 ZINC000306139465 568771323 /nfs/dbraw/zinc/77/13/23/568771323.db2.gz SYCQAIAPXJJSQG-UHFFFAOYSA-N 1 1 446.599 4.125 40 0 IIABMO COc1ccccc1C[N@H+]1Cc2c(nc(C)n2C(C)C)C2(CCN(c3ncccn3)CC2)C1 ZINC000306139465 568771324 /nfs/dbraw/zinc/77/13/24/568771324.db2.gz SYCQAIAPXJJSQG-UHFFFAOYSA-N 1 1 446.599 4.125 40 0 IIABMO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329005249 568809115 /nfs/dbraw/zinc/80/91/15/568809115.db2.gz KXHHWJHXCIWWFE-IBGZPJMESA-N 1 1 433.394 4.354 40 0 IIABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000253598607 569209092 /nfs/dbraw/zinc/20/90/92/569209092.db2.gz DTAQOTVZXUPCDE-YLJYHZDGSA-N 1 1 438.597 4.130 40 0 IIABMO Cc1ccsc1C[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000253599037 569209133 /nfs/dbraw/zinc/20/91/33/569209133.db2.gz KFOLRBSZZKGQOJ-XLIONFOSSA-N 1 1 438.597 4.130 40 0 IIABMO Cc1ccsc1C[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000253599037 569209134 /nfs/dbraw/zinc/20/91/34/569209134.db2.gz KFOLRBSZZKGQOJ-XLIONFOSSA-N 1 1 438.597 4.130 40 0 IIABMO C[C@H](C[N@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 ZINC000019456133 569226540 /nfs/dbraw/zinc/22/65/40/569226540.db2.gz CWEQXDYGNOMOSU-IFMALSPDSA-N 1 1 430.600 4.460 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@@H]32)cc1OC ZINC000019560760 569226994 /nfs/dbraw/zinc/22/69/94/569226994.db2.gz UIOSSFKUWOMODX-ZCNNSNEGSA-N 1 1 427.541 4.498 40 0 IIABMO COCc1cc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)ccc1OC(C)C ZINC000019702517 569232100 /nfs/dbraw/zinc/23/21/00/569232100.db2.gz KKTHONHBDXXXHJ-KRWDZBQOSA-N 1 1 439.581 4.318 40 0 IIABMO Cc1cc(C)n2ncc(C[N@H+]3CC[C@H](c4cc(COc5ccc(Cl)cc5)[nH]n4)C3)c2n1 ZINC000019704370 569233246 /nfs/dbraw/zinc/23/32/46/569233246.db2.gz KXLDIEUMYYGPFC-KRWDZBQOSA-N 1 1 436.947 4.291 40 0 IIABMO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@H](c4cc(COc5ccc(Cl)cc5)n[nH]4)C3)c2n1 ZINC000019704370 569233249 /nfs/dbraw/zinc/23/32/49/569233249.db2.gz KXLDIEUMYYGPFC-KRWDZBQOSA-N 1 1 436.947 4.291 40 0 IIABMO Cc1cc(C)n2ncc(C[N@H+]3CC[C@H](c4cc(COc5ccc(Cl)cc5)n[nH]4)C3)c2n1 ZINC000019704370 569233251 /nfs/dbraw/zinc/23/32/51/569233251.db2.gz KXLDIEUMYYGPFC-KRWDZBQOSA-N 1 1 436.947 4.291 40 0 IIABMO Cc1cc(C)n2ncc(C[N@H+]3CC[C@@H](c4cc(COc5ccc(Cl)cc5)[nH]n4)C3)c2n1 ZINC000019704369 569233305 /nfs/dbraw/zinc/23/33/05/569233305.db2.gz KXLDIEUMYYGPFC-QGZVFWFLSA-N 1 1 436.947 4.291 40 0 IIABMO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@@H](c4cc(COc5ccc(Cl)cc5)n[nH]4)C3)c2n1 ZINC000019704369 569233306 /nfs/dbraw/zinc/23/33/06/569233306.db2.gz KXLDIEUMYYGPFC-QGZVFWFLSA-N 1 1 436.947 4.291 40 0 IIABMO Cc1cc(C)n2ncc(C[N@H+]3CC[C@@H](c4cc(COc5ccc(Cl)cc5)n[nH]4)C3)c2n1 ZINC000019704369 569233307 /nfs/dbraw/zinc/23/33/07/569233307.db2.gz KXLDIEUMYYGPFC-QGZVFWFLSA-N 1 1 436.947 4.291 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3cccnc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704898 569233856 /nfs/dbraw/zinc/23/38/56/569233856.db2.gz FSJRCWBWEHSKCN-XMMPIXPASA-N 1 1 441.572 4.481 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCOCC3)CC2)sc1CCOc1ccccc1F ZINC000019705371 569234133 /nfs/dbraw/zinc/23/41/33/569234133.db2.gz DJRBLDOJFKIFLO-QHCPKHFHSA-N 1 1 434.577 4.065 40 0 IIABMO Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)C1 ZINC000019738979 569236302 /nfs/dbraw/zinc/23/63/02/569236302.db2.gz NFZJGJCPLNEOOO-FQEVSTJZSA-N 1 1 446.599 4.056 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4cccc(C)c4)C3)nc2C)c1 ZINC000019758088 569328697 /nfs/dbraw/zinc/32/86/97/569328697.db2.gz AHVSPTDNJODFMZ-JOCHJYFZSA-N 1 1 430.552 4.022 40 0 IIABMO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000038831267 556621597 /nfs/dbraw/zinc/62/15/97/556621597.db2.gz ZGFQFFFYXAEVOM-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000038831307 556621800 /nfs/dbraw/zinc/62/18/00/556621800.db2.gz MDCSPBHUAHSQMW-UHFFFAOYSA-N 1 1 426.004 4.464 40 0 IIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2Cl)CC1 ZINC000016681562 556624130 /nfs/dbraw/zinc/62/41/30/556624130.db2.gz UYPWPZYETGLZIA-UHFFFAOYSA-N 1 1 431.005 4.226 40 0 IIABMO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc21 ZINC000019081433 556696014 /nfs/dbraw/zinc/69/60/14/556696014.db2.gz BFUMKXZLLGVYRN-DEOSSOPVSA-N 1 1 439.575 4.007 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)c1 ZINC000257312931 556703503 /nfs/dbraw/zinc/70/35/03/556703503.db2.gz UQGKRIKRFWKQTN-RSXGOPAZSA-N 1 1 449.526 4.222 40 0 IIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133979 556705336 /nfs/dbraw/zinc/70/53/36/556705336.db2.gz IVEKBJLYLDIVRD-FQEVSTJZSA-N 1 1 432.572 4.164 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230820 556708914 /nfs/dbraw/zinc/70/89/14/556708914.db2.gz GEBMKIORUWCPAU-XUZZJYLKSA-N 1 1 446.494 4.067 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230820 556708916 /nfs/dbraw/zinc/70/89/16/556708916.db2.gz GEBMKIORUWCPAU-XUZZJYLKSA-N 1 1 446.494 4.067 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242355 556710295 /nfs/dbraw/zinc/71/02/95/556710295.db2.gz ICBVTRQQQDWWMW-GGAORHGYSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242355 556710297 /nfs/dbraw/zinc/71/02/97/556710297.db2.gz ICBVTRQQQDWWMW-GGAORHGYSA-N 1 1 448.485 4.484 40 0 IIABMO Fc1ccccc1OCCc1cc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)[nH]n1 ZINC000257279361 556714428 /nfs/dbraw/zinc/71/44/28/556714428.db2.gz OGGDNYJJJVIASL-RUZDIDTESA-N 1 1 432.499 4.292 40 0 IIABMO Fc1ccccc1OCCc1cc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)[nH]n1 ZINC000257279361 556714432 /nfs/dbraw/zinc/71/44/32/556714432.db2.gz OGGDNYJJJVIASL-RUZDIDTESA-N 1 1 432.499 4.292 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2cccc(C)c2OC)C1 ZINC000019235899 556720556 /nfs/dbraw/zinc/72/05/56/556720556.db2.gz AAZNGUULZCHZJH-MHZLTWQESA-N 1 1 429.564 4.246 40 0 IIABMO Nc1cc([C@@H]2CCC[N@@H+](Cc3coc4ccccc4c3=O)C2)nc2cc(-c3ccco3)nn21 ZINC000019375881 556751648 /nfs/dbraw/zinc/75/16/48/556751648.db2.gz HXWLWEJIJYBJMY-MRXNPFEDSA-N 1 1 441.491 4.058 40 0 IIABMO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019447328 556756471 /nfs/dbraw/zinc/75/64/71/556756471.db2.gz KIPVMYZGOJSBEE-MHZLTWQESA-N 1 1 428.580 4.351 40 0 IIABMO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019447344 556756712 /nfs/dbraw/zinc/75/67/12/556756712.db2.gz KQFPFQRXJRKTFR-MHZLTWQESA-N 1 1 428.580 4.351 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3cccn3C(C)C)C1)O2 ZINC000019454984 556765230 /nfs/dbraw/zinc/76/52/30/556765230.db2.gz MMADUJRTUVNODE-NLFFAJNJSA-N 1 1 425.573 4.099 40 0 IIABMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000019499499 556771420 /nfs/dbraw/zinc/77/14/20/556771420.db2.gz OBWPIEQNTSOJDY-OIISXLGYSA-N 1 1 443.558 4.311 40 0 IIABMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000019499499 556771423 /nfs/dbraw/zinc/77/14/23/556771423.db2.gz OBWPIEQNTSOJDY-OIISXLGYSA-N 1 1 443.558 4.311 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@](Cc3ccccc3-c3ccccc3)(C(=O)NC)C2)cn1 ZINC000019523372 556780676 /nfs/dbraw/zinc/78/06/76/556780676.db2.gz PKFOOAKUJWUMJP-HHHXNRCGSA-N 1 1 428.580 4.277 40 0 IIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000019523324 556780823 /nfs/dbraw/zinc/78/08/23/556780823.db2.gz NVFABMTYTDHDNR-RUZDIDTESA-N 1 1 434.609 4.338 40 0 IIABMO CCn1c(C)c(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523871 556781046 /nfs/dbraw/zinc/78/10/46/556781046.db2.gz RKNQZRJSYBDFFU-RPLLCQBOSA-N 1 1 446.595 4.402 40 0 IIABMO CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[nH]n2)c1C ZINC000019523866 556781149 /nfs/dbraw/zinc/78/11/49/556781149.db2.gz RXRGJZBFQKPUCJ-UHFFFAOYSA-N 1 1 436.560 4.027 40 0 IIABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001373151 556785673 /nfs/dbraw/zinc/78/56/73/556785673.db2.gz HDBRYXOCOLNEOA-UHFFFAOYSA-N 1 1 446.555 4.108 40 0 IIABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001373151 556785676 /nfs/dbraw/zinc/78/56/76/556785676.db2.gz HDBRYXOCOLNEOA-UHFFFAOYSA-N 1 1 446.555 4.108 40 0 IIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019528755 556789099 /nfs/dbraw/zinc/78/90/99/556789099.db2.gz GTOFSQUYFYXZJQ-MHZLTWQESA-N 1 1 446.595 4.057 40 0 IIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019529141 556790547 /nfs/dbraw/zinc/79/05/47/556790547.db2.gz LWNIKKVDEDACHZ-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374318 556792917 /nfs/dbraw/zinc/79/29/17/556792917.db2.gz JITGRVWWRXJBNO-HSZRJFAPSA-N 1 1 446.555 4.360 40 0 IIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374318 556792918 /nfs/dbraw/zinc/79/29/18/556792918.db2.gz JITGRVWWRXJBNO-HSZRJFAPSA-N 1 1 446.555 4.360 40 0 IIABMO CCOc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)cc1 ZINC000019533336 556793235 /nfs/dbraw/zinc/79/32/35/556793235.db2.gz PKSGGBVAELICNF-JOCHJYFZSA-N 1 1 427.545 4.085 40 0 IIABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCc2ccco2)c1 ZINC000019552619 556796480 /nfs/dbraw/zinc/79/64/80/556796480.db2.gz NMTNWPIKOMGDAG-BJKOFHAPSA-N 1 1 434.536 4.014 40 0 IIABMO Cc1noc2nc([C@H]3CCCN(C(=O)Cn4cc[nH+]c4C(C)C)C3)cc(C(F)(F)F)c12 ZINC000019563990 556804806 /nfs/dbraw/zinc/80/48/06/556804806.db2.gz KRKJXCWLPIXBOZ-AWEZNQCLSA-N 1 1 435.450 4.276 40 0 IIABMO CN(CCc1ccccc1)C(=O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](c2csnn2)C1 ZINC000019586199 556823081 /nfs/dbraw/zinc/82/30/81/556823081.db2.gz XAXXRHHDSQEIBN-LEWJYISDSA-N 1 1 441.000 4.076 40 0 IIABMO CN(CCc1ccccc1)C(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](c2csnn2)C1 ZINC000019586199 556823082 /nfs/dbraw/zinc/82/30/82/556823082.db2.gz XAXXRHHDSQEIBN-LEWJYISDSA-N 1 1 441.000 4.076 40 0 IIABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc12 ZINC000006322214 556833215 /nfs/dbraw/zinc/83/32/15/556833215.db2.gz BRMOSFIDRCJNNW-DEOSSOPVSA-N 1 1 442.567 4.145 40 0 IIABMO CC(C)n1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2ccccc21 ZINC000019708172 556868378 /nfs/dbraw/zinc/86/83/78/556868378.db2.gz NNQRFEUJFKSYIK-VWLOTQADSA-N 1 1 432.568 4.427 40 0 IIABMO CN(C)C(=O)c1cc([C@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)nc2ccccc21 ZINC000019759458 556903190 /nfs/dbraw/zinc/90/31/90/556903190.db2.gz TUYWZSFREOLJAI-XMMPIXPASA-N 1 1 426.520 4.058 40 0 IIABMO CN(C)C(=O)c1cc([C@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)nc2ccccc21 ZINC000019759458 556903194 /nfs/dbraw/zinc/90/31/94/556903194.db2.gz TUYWZSFREOLJAI-XMMPIXPASA-N 1 1 426.520 4.058 40 0 IIABMO CCn1cc(C[N@H+]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)c2cc(OC)ccc21 ZINC000019761973 556905861 /nfs/dbraw/zinc/90/58/61/556905861.db2.gz JLGXFCNUXIUHJO-KRWDZBQOSA-N 1 1 428.536 4.306 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000072330604 556906696 /nfs/dbraw/zinc/90/66/96/556906696.db2.gz YHUKXGSHORGOJF-NYVOZVTQSA-N 1 1 447.501 4.349 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000072352204 556923295 /nfs/dbraw/zinc/92/32/95/556923295.db2.gz GMIAEZCDYWDADR-IBGZPJMESA-N 1 1 435.593 4.227 40 0 IIABMO C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000072352571 556924523 /nfs/dbraw/zinc/92/45/23/556924523.db2.gz QUYKWECGYXBSHK-LJQANCHMSA-N 1 1 430.577 4.479 40 0 IIABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@H+](Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000072353752 556928027 /nfs/dbraw/zinc/92/80/27/556928027.db2.gz VSYGHIGIEDRKRO-QGZVFWFLSA-N 1 1 430.531 4.440 40 0 IIABMO COc1ccc(CCN2C(=O)Cc3c2nc([C@H]2CCC[N@H+](C4CCCCC4)C2)nc3C)cc1 ZINC000072355731 556930502 /nfs/dbraw/zinc/93/05/02/556930502.db2.gz SMVHIYSWBFIZDX-NRFANRHFSA-N 1 1 448.611 4.438 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@H+]1Cc1cnc(C)s1 ZINC000072370325 556934379 /nfs/dbraw/zinc/93/43/79/556934379.db2.gz WNWBXZSFILFXRZ-MRXNPFEDSA-N 1 1 429.611 4.250 40 0 IIABMO Cc1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)n[nH]3)C2)cnn1C ZINC000072371461 556939013 /nfs/dbraw/zinc/93/90/13/556939013.db2.gz XKFMRJSGQSCWPO-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@@H+]2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cnn1C ZINC000072371461 556939016 /nfs/dbraw/zinc/93/90/16/556939016.db2.gz XKFMRJSGQSCWPO-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@H+]2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cnn1C ZINC000072371461 556939019 /nfs/dbraw/zinc/93/90/19/556939019.db2.gz XKFMRJSGQSCWPO-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371744 556940845 /nfs/dbraw/zinc/94/08/45/556940845.db2.gz ZWIWVRRYTKCOPU-QGZVFWFLSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371744 556940847 /nfs/dbraw/zinc/94/08/47/556940847.db2.gz ZWIWVRRYTKCOPU-QGZVFWFLSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371744 556940850 /nfs/dbraw/zinc/94/08/50/556940850.db2.gz ZWIWVRRYTKCOPU-QGZVFWFLSA-N 1 1 425.964 4.135 40 0 IIABMO CC[NH+]1CCC(CC(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)CC1 ZINC000072371806 556941104 /nfs/dbraw/zinc/94/11/04/556941104.db2.gz HHKKWEVRTIMPBI-LJQANCHMSA-N 1 1 445.007 4.123 40 0 IIABMO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000072372741 556944078 /nfs/dbraw/zinc/94/40/78/556944078.db2.gz ASPMARZCUGNVJU-LJQANCHMSA-N 1 1 438.507 4.470 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375864 556953246 /nfs/dbraw/zinc/95/32/46/556953246.db2.gz GSHCYROSXKDTNQ-FQEVSTJZSA-N 1 1 437.569 4.086 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375864 556953250 /nfs/dbraw/zinc/95/32/50/556953250.db2.gz GSHCYROSXKDTNQ-FQEVSTJZSA-N 1 1 437.569 4.086 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000072398578 556970049 /nfs/dbraw/zinc/97/00/49/556970049.db2.gz BWUHHFMUGQHLPG-XXBNENTESA-N 1 1 425.573 4.214 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000072398586 556970398 /nfs/dbraw/zinc/97/03/98/556970398.db2.gz ZJQDQLLDDBJSPI-GCJKJVERSA-N 1 1 425.573 4.214 40 0 IIABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 ZINC000585102100 557035478 /nfs/dbraw/zinc/03/54/78/557035478.db2.gz RKMWZHXELSAGDK-SANMLTNESA-N 1 1 432.568 4.391 40 0 IIABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 ZINC000585102100 557035481 /nfs/dbraw/zinc/03/54/81/557035481.db2.gz RKMWZHXELSAGDK-SANMLTNESA-N 1 1 432.568 4.391 40 0 IIABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585107519 557038556 /nfs/dbraw/zinc/03/85/56/557038556.db2.gz YTGVWKPQEBGNLT-HHHXNRCGSA-N 1 1 446.570 4.474 40 0 IIABMO Cc1noc(C)c1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cc(C)ccc3Cl)C2)cc1 ZINC000585268688 557207389 /nfs/dbraw/zinc/20/73/89/557207389.db2.gz CHBUXECLARCCBA-UPVQGACJSA-N 1 1 442.943 4.456 40 0 IIABMO Cc1noc(C)c1COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cc(C)ccc3Cl)C2)cc1 ZINC000585268688 557207393 /nfs/dbraw/zinc/20/73/93/557207393.db2.gz CHBUXECLARCCBA-UPVQGACJSA-N 1 1 442.943 4.456 40 0 IIABMO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219241799 557232553 /nfs/dbraw/zinc/23/25/53/557232553.db2.gz AXWXFYQXADHXFA-GOSISDBHSA-N 1 1 434.540 4.249 40 0 IIABMO CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000100743697 557274307 /nfs/dbraw/zinc/27/43/07/557274307.db2.gz ASFLOVJFLPKMHH-HBMCJLEFSA-N 1 1 439.604 4.403 40 0 IIABMO O=C(CCc1ccc(F)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355238 557387474 /nfs/dbraw/zinc/38/74/74/557387474.db2.gz DQAVHNPGCGPDGC-DEOSSOPVSA-N 1 1 431.555 4.357 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)cc1 ZINC000072376845 557388780 /nfs/dbraw/zinc/38/87/80/557388780.db2.gz BGIJRNXWFYIQFV-OAQYLSRUSA-N 1 1 435.503 4.039 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)cc1 ZINC000072376845 557388783 /nfs/dbraw/zinc/38/87/83/557388783.db2.gz BGIJRNXWFYIQFV-OAQYLSRUSA-N 1 1 435.503 4.039 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223451757 557473237 /nfs/dbraw/zinc/47/32/37/557473237.db2.gz WQDAWIJIJKQABO-JWGURIENSA-N 1 1 442.544 4.330 40 0 IIABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1C ZINC000223948902 557533070 /nfs/dbraw/zinc/53/30/70/557533070.db2.gz NOKQPBFMNMYCSG-UHFFFAOYSA-N 1 1 445.401 4.473 40 0 IIABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1OC ZINC000224245130 557580676 /nfs/dbraw/zinc/58/06/76/557580676.db2.gz YNOQEPKCCKYMRQ-UHFFFAOYSA-N 1 1 446.547 4.241 40 0 IIABMO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000225269690 557707428 /nfs/dbraw/zinc/70/74/28/557707428.db2.gz XQKYNUPWUNGGPP-SFHVURJKSA-N 1 1 435.351 4.162 40 0 IIABMO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225573677 557745230 /nfs/dbraw/zinc/74/52/30/557745230.db2.gz MFCARPCREFFIGI-MRXNPFEDSA-N 1 1 434.939 4.283 40 0 IIABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000225578179 557746163 /nfs/dbraw/zinc/74/61/63/557746163.db2.gz DDGWZEDUUHQDAY-UHFFFAOYSA-N 1 1 433.930 4.179 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000225821757 557781168 /nfs/dbraw/zinc/78/11/68/557781168.db2.gz LWPIWTPTWNPCPQ-KQWNVCNZSA-N 1 1 440.503 4.169 40 0 IIABMO O=C(Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000225904581 557789977 /nfs/dbraw/zinc/78/99/77/557789977.db2.gz BXEZSHVYHYUDHZ-OAQYLSRUSA-N 1 1 439.987 4.356 40 0 IIABMO C[N@@H+](Cc1ccc(F)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585262345 568616413 /nfs/dbraw/zinc/61/64/13/568616413.db2.gz QFJYODMFBUKPMA-LUKWVAJMSA-N 1 1 444.547 4.122 40 0 IIABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCCCn4cccn4)cc3)CC2)cc1 ZINC000585272838 568618175 /nfs/dbraw/zinc/61/81/75/568618175.db2.gz JVMYETLBQMUNKB-HHHXNRCGSA-N 1 1 449.595 4.457 40 0 IIABMO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257222539 568675509 /nfs/dbraw/zinc/67/55/09/568675509.db2.gz DTROUPFIERJCHY-GOSISDBHSA-N 1 1 439.629 4.244 40 0 IIABMO Cn1cc(CN2CCO[C@@H](c3cc(CCOc4ccccc4)[nH]n3)C2)c2cc(F)ccc21 ZINC000257225575 568676737 /nfs/dbraw/zinc/67/67/37/568676737.db2.gz FGUQYXJHDTWZIZ-RUZDIDTESA-N 1 1 434.515 4.236 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257230160 568679062 /nfs/dbraw/zinc/67/90/62/568679062.db2.gz GBCDQOTYWHNHAY-LJQANCHMSA-N 1 1 433.531 4.188 40 0 IIABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293004 568708027 /nfs/dbraw/zinc/70/80/27/568708027.db2.gz QNTZVGKVUYRKCU-QPPBQGQZSA-N 1 1 435.616 4.298 40 0 IIABMO O=C(c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1)N1CCOCC1 ZINC000257299957 568711201 /nfs/dbraw/zinc/71/12/01/568711201.db2.gz RSIJAQAQSGIDEX-IBGZPJMESA-N 1 1 446.576 4.240 40 0 IIABMO Cc1nc([C@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 ZINC000257316957 568718566 /nfs/dbraw/zinc/71/85/66/568718566.db2.gz VHRZTHUEFRZXAW-QHCPKHFHSA-N 1 1 446.570 4.123 40 0 IIABMO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3cccs3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257337667 568727701 /nfs/dbraw/zinc/72/77/01/568727701.db2.gz YTVNRMYBDQFCMM-OAQYLSRUSA-N 1 1 425.602 4.202 40 0 IIABMO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3cccs3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257337667 568727702 /nfs/dbraw/zinc/72/77/02/568727702.db2.gz YTVNRMYBDQFCMM-OAQYLSRUSA-N 1 1 425.602 4.202 40 0 IIABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306128229 568764926 /nfs/dbraw/zinc/76/49/26/568764926.db2.gz GUUHEQFOZGZRLA-JOCHJYFZSA-N 1 1 429.572 4.498 40 0 IIABMO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1cccs1)CC21CCN(c2ncccn2)CC1 ZINC000306133470 568767996 /nfs/dbraw/zinc/76/79/96/568767996.db2.gz MMIBCKBJPSLSNK-UHFFFAOYSA-N 1 1 434.613 4.007 40 0 IIABMO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1cccs1)CC21CCN(c2ncccn2)CC1 ZINC000306133470 568767997 /nfs/dbraw/zinc/76/79/97/568767997.db2.gz MMIBCKBJPSLSNK-UHFFFAOYSA-N 1 1 434.613 4.007 40 0 IIABMO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329039594 568810080 /nfs/dbraw/zinc/81/00/80/568810080.db2.gz RXPDHBYKJICOEX-LJQANCHMSA-N 1 1 438.494 4.490 40 0 IIABMO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329066641 568810921 /nfs/dbraw/zinc/81/09/21/568810921.db2.gz YDAXBIRZUKCAOG-IBGZPJMESA-N 1 1 438.494 4.490 40 0 IIABMO C[C@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(=O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000137767127 568892620 /nfs/dbraw/zinc/89/26/20/568892620.db2.gz HIDAYMRWVVNXAO-RQPUSEGUSA-N 1 1 427.629 4.095 40 0 biogenic IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)[nH]n2)cc1 ZINC000257199217 568921900 /nfs/dbraw/zinc/92/19/00/568921900.db2.gz WQOVXVNCVDVXHF-QPNVDGBVSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)n[nH]2)cc1 ZINC000257199217 568921901 /nfs/dbraw/zinc/92/19/01/568921901.db2.gz WQOVXVNCVDVXHF-QPNVDGBVSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)n[nH]2)cc1 ZINC000257199217 568921902 /nfs/dbraw/zinc/92/19/02/568921902.db2.gz WQOVXVNCVDVXHF-QPNVDGBVSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@H]32)cc1OC ZINC000247910155 569206357 /nfs/dbraw/zinc/20/63/57/569206357.db2.gz UIOSSFKUWOMODX-VAMGGRTRSA-N 1 1 427.541 4.498 40 0 IIABMO CC(C)[N@H+]1CC[C@@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@H](C)C1 ZINC000247969007 569206705 /nfs/dbraw/zinc/20/67/05/569206705.db2.gz CNVRDTJIEDZNDR-IFMALSPDSA-N 1 1 446.595 4.334 40 0 IIABMO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(Cc2ccncc2)CC1 ZINC000248126679 569207139 /nfs/dbraw/zinc/20/71/39/569207139.db2.gz LYCQLEGBIQIYBV-UGKGYDQZSA-N 1 1 446.517 4.271 40 0 IIABMO C[N@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(Cc2ccncc2)CC1 ZINC000248126679 569207140 /nfs/dbraw/zinc/20/71/40/569207140.db2.gz LYCQLEGBIQIYBV-UGKGYDQZSA-N 1 1 446.517 4.271 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000248139042 569207288 /nfs/dbraw/zinc/20/72/88/569207288.db2.gz PRHIXVSQKXXKFU-MIZPHKNDSA-N 1 1 425.548 4.005 40 0 IIABMO CCc1ncc(C[N@@H+]2CCC[C@@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cn1 ZINC000019705368 569234158 /nfs/dbraw/zinc/23/41/58/569234158.db2.gz QXEDFLUIZFAKHH-DEOSSOPVSA-N 1 1 438.597 4.257 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cn1 ZINC000019705368 569234159 /nfs/dbraw/zinc/23/41/59/569234159.db2.gz QXEDFLUIZFAKHH-DEOSSOPVSA-N 1 1 438.597 4.257 40 0 IIABMO Cc1nc([C@]2(O)CCC[N@@H+](CC3=CCCOC3)CC2)sc1CCOc1ccccc1 ZINC000019705235 569234168 /nfs/dbraw/zinc/23/41/68/569234168.db2.gz RGYQTIWMJMRPJE-DEOSSOPVSA-N 1 1 428.598 4.093 40 0 IIABMO CC[N@@H+](Cc1cn(C)nc1C)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712724 569235519 /nfs/dbraw/zinc/23/55/19/569235519.db2.gz OFHDAGCXLLJZED-RTWAWAEBSA-N 1 1 439.585 4.180 40 0 IIABMO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000019739157 569236440 /nfs/dbraw/zinc/23/64/40/569236440.db2.gz QRFHVDGAIKGFNO-VWLOTQADSA-N 1 1 443.563 4.263 40 0 IIABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000019694625 569326687 /nfs/dbraw/zinc/32/66/87/569326687.db2.gz ZNQKIXQNOMXHPS-HXUWFJFHSA-N 1 1 449.986 4.342 40 0 IIABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OCC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534631 569374680 /nfs/dbraw/zinc/37/46/80/569374680.db2.gz CSNQOTLTIJTWMN-NRFANRHFSA-N 1 1 426.517 4.115 40 0 IIABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235408 525538467 /nfs/dbraw/zinc/53/84/67/525538467.db2.gz IKQAXIIUWAIAGU-RLWLMLJZSA-N 1 1 438.568 4.034 40 0 IIABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)CC1 ZINC000408572060 555915672 /nfs/dbraw/zinc/91/56/72/555915672.db2.gz FBKCRMHIMVCNPI-UHFFFAOYSA-N 1 1 449.414 4.350 40 0 IIABMO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039762919 556436704 /nfs/dbraw/zinc/43/67/04/556436704.db2.gz WFZYABHLQOFJTO-UHFFFAOYSA-N 1 1 431.939 4.470 40 0 IIABMO C[C@@]1(O)CC[N@H+](Cc2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290198 556626174 /nfs/dbraw/zinc/62/61/74/556626174.db2.gz VEVFKAZDPUFHLM-KYPHJKQUSA-N 1 1 436.502 4.461 40 0 biogenic,in-vitro IIABMO C[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290198 556626175 /nfs/dbraw/zinc/62/61/75/556626175.db2.gz VEVFKAZDPUFHLM-KYPHJKQUSA-N 1 1 436.502 4.461 40 0 biogenic,in-vitro IIABMO O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014907 556692108 /nfs/dbraw/zinc/69/21/08/556692108.db2.gz TWKJESVXRJCPLH-IBGZPJMESA-N 1 1 426.605 4.159 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000019081937 556696660 /nfs/dbraw/zinc/69/66/60/556696660.db2.gz ZJQDQLLDDBJSPI-XMSQKQJNSA-N 1 1 425.573 4.214 40 0 IIABMO OC1(COc2ccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)CCCCC1 ZINC000257206486 556702058 /nfs/dbraw/zinc/70/20/58/556702058.db2.gz BDROZWSUZJGKSU-AREMUKBSSA-N 1 1 425.569 4.167 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213585 556702568 /nfs/dbraw/zinc/70/25/68/556702568.db2.gz CIEWXJZIELZWTK-XNMGPUDCSA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213585 556702571 /nfs/dbraw/zinc/70/25/71/556702571.db2.gz CIEWXJZIELZWTK-XNMGPUDCSA-N 1 1 434.580 4.344 40 0 IIABMO COCCOc1cc(C[N@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000257332906 556705873 /nfs/dbraw/zinc/70/58/73/556705873.db2.gz XZHJMIIUIBMKGD-RUZDIDTESA-N 1 1 447.547 4.310 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257337683 556706781 /nfs/dbraw/zinc/70/67/81/556706781.db2.gz YTYHRZSALNWZML-FQEVSTJZSA-N 1 1 428.536 4.096 40 0 IIABMO Fc1cccc(COc2ccccc2C[N@H+]2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257221085 556707827 /nfs/dbraw/zinc/70/78/27/556707827.db2.gz DNKIEROAYUSAER-NRFANRHFSA-N 1 1 446.526 4.139 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 ZINC000257233099 556709434 /nfs/dbraw/zinc/70/94/34/556709434.db2.gz GNUVJLCVFBWLGL-QFIPXVFZSA-N 1 1 440.547 4.119 40 0 IIABMO O=C(C1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343570 556741340 /nfs/dbraw/zinc/74/13/40/556741340.db2.gz IHSHDMQBWRFRTN-NRFANRHFSA-N 1 1 440.613 4.024 40 0 IIABMO O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019370760 556748166 /nfs/dbraw/zinc/74/81/66/556748166.db2.gz HOUXZYYBYRYRQU-XMMPIXPASA-N 1 1 448.611 4.417 40 0 IIABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019448933 556758939 /nfs/dbraw/zinc/75/89/39/556758939.db2.gz YOZWYDXMBPIONO-MHZLTWQESA-N 1 1 428.580 4.493 40 0 IIABMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002378404 556761187 /nfs/dbraw/zinc/76/11/87/556761187.db2.gz MYCKDCIJPLTQDW-OYLFLEFRSA-N 1 1 427.545 4.192 40 0 IIABMO CSc1ncc(C[NH+]2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cn1 ZINC000019450350 556761334 /nfs/dbraw/zinc/76/13/34/556761334.db2.gz BKXHXLZIBRDXKU-UHFFFAOYSA-N 1 1 435.601 4.250 40 0 IIABMO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500923 556772563 /nfs/dbraw/zinc/77/25/63/556772563.db2.gz BLAIEIVAYDMUCD-JTDSTZFVSA-N 1 1 435.494 4.317 40 0 IIABMO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500923 556772568 /nfs/dbraw/zinc/77/25/68/556772568.db2.gz BLAIEIVAYDMUCD-JTDSTZFVSA-N 1 1 435.494 4.317 40 0 IIABMO CCc1ncc(C[N@H+]2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523322 556780748 /nfs/dbraw/zinc/78/07/48/556780748.db2.gz PWPOLOHODYYOAK-VWLOTQADSA-N 1 1 434.609 4.291 40 0 IIABMO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000001370993 556783725 /nfs/dbraw/zinc/78/37/25/556783725.db2.gz YRYSMSMEHRHBQW-UHFFFAOYSA-N 1 1 427.346 4.383 40 0 IIABMO CCOc1ccc(C[N@H+]2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cc1 ZINC000019533283 556793300 /nfs/dbraw/zinc/79/33/00/556793300.db2.gz YGYNLQQKHDYYME-XMMPIXPASA-N 1 1 429.564 4.280 40 0 IIABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccccc4OC)C3)no2)cc1 ZINC000019555848 556799043 /nfs/dbraw/zinc/79/90/43/556799043.db2.gz QHNNPTYTWBIEGQ-IBGZPJMESA-N 1 1 435.524 4.001 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cc1OC ZINC000019560924 556802313 /nfs/dbraw/zinc/80/23/13/556802313.db2.gz XSFVYSWBGJHJJO-HHHXNRCGSA-N 1 1 445.563 4.076 40 0 IIABMO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)no2)c1 ZINC000019565613 556806194 /nfs/dbraw/zinc/80/61/94/556806194.db2.gz KLKMBDSJJBLAOP-FQEVSTJZSA-N 1 1 435.524 4.001 40 0 IIABMO COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@@H]23)c1 ZINC000019566152 556806835 /nfs/dbraw/zinc/80/68/35/556806835.db2.gz JYIJLASDQHZVLR-FUDKSRODSA-N 1 1 426.507 4.200 40 0 IIABMO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c(C)n1 ZINC000019711164 556875177 /nfs/dbraw/zinc/87/51/77/556875177.db2.gz QDVHLXLWQSBDJT-DEOSSOPVSA-N 1 1 435.547 4.321 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c(C)n1 ZINC000019711164 556875181 /nfs/dbraw/zinc/87/51/81/556875181.db2.gz QDVHLXLWQSBDJT-DEOSSOPVSA-N 1 1 435.547 4.321 40 0 IIABMO Cn1cc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)CC2)c2ccccc21 ZINC000019744684 556891198 /nfs/dbraw/zinc/89/11/98/556891198.db2.gz ILWKKXOOQBFDRL-UHFFFAOYSA-N 1 1 428.462 4.430 40 0 IIABMO CN(C)C(=O)c1cc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759686 556903425 /nfs/dbraw/zinc/90/34/25/556903425.db2.gz OWCIFCIOFIDGEJ-VWLOTQADSA-N 1 1 426.520 4.058 40 0 IIABMO CN(C)C(=O)c1cc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759686 556903426 /nfs/dbraw/zinc/90/34/26/556903426.db2.gz OWCIFCIOFIDGEJ-VWLOTQADSA-N 1 1 426.520 4.058 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000072330393 556905480 /nfs/dbraw/zinc/90/54/80/556905480.db2.gz OOTFJOFRMSALTD-BWKNWUBXSA-N 1 1 437.584 4.359 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000072330392 556905554 /nfs/dbraw/zinc/90/55/54/556905554.db2.gz OOTFJOFRMSALTD-OFVILXPXSA-N 1 1 437.584 4.359 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000072330544 556906279 /nfs/dbraw/zinc/90/62/79/556906279.db2.gz BLUMNIDFEGVAGV-LVXARBLLSA-N 1 1 445.563 4.482 40 0 IIABMO COc1ccccc1CC(=O)N1CCCC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]21 ZINC000072330616 556906942 /nfs/dbraw/zinc/90/69/42/556906942.db2.gz GXNAZJMODMAQHW-UKILVPOCSA-N 1 1 429.564 4.299 40 0 IIABMO Cc1nc([C@@H]2CCC[N@H+](Cc3cn(C)c4ccc(F)cc34)C2)ncc1C(=O)N1CCCCC1 ZINC000019763299 556907937 /nfs/dbraw/zinc/90/79/37/556907937.db2.gz OPGWXWRCTPJABL-LJQANCHMSA-N 1 1 449.574 4.422 40 0 IIABMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340879 556912882 /nfs/dbraw/zinc/91/28/82/556912882.db2.gz PYAOHIZCGSZWLI-KRWDZBQOSA-N 1 1 432.446 4.361 40 0 IIABMO CNc1ncccc1C[N@H+]1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000072351972 556923001 /nfs/dbraw/zinc/92/30/01/556923001.db2.gz LSBXLNMLVNLWSX-QGZVFWFLSA-N 1 1 436.947 4.117 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000072352205 556923365 /nfs/dbraw/zinc/92/33/65/556923365.db2.gz GMIAEZCDYWDADR-LJQANCHMSA-N 1 1 435.593 4.227 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000072352295 556923621 /nfs/dbraw/zinc/92/36/21/556923621.db2.gz MFXGURZAGWPOGB-GOSISDBHSA-N 1 1 438.597 4.180 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1 ZINC000072354237 556929581 /nfs/dbraw/zinc/92/95/81/556929581.db2.gz DORATSJMDJICSV-QHCPKHFHSA-N 1 1 434.559 4.478 40 0 IIABMO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000072370526 556935269 /nfs/dbraw/zinc/93/52/69/556935269.db2.gz JWNHNGIAVMAUMD-SFHVURJKSA-N 1 1 426.557 4.360 40 0 IIABMO Cc1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)n[nH]3)C2)cnn1C ZINC000072371462 556939243 /nfs/dbraw/zinc/93/92/43/556939243.db2.gz XKFMRJSGQSCWPO-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cnn1C ZINC000072371462 556939245 /nfs/dbraw/zinc/93/92/45/556939245.db2.gz XKFMRJSGQSCWPO-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cnn1C ZINC000072371462 556939249 /nfs/dbraw/zinc/93/92/49/556939249.db2.gz XKFMRJSGQSCWPO-MRXNPFEDSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000072375654 556952147 /nfs/dbraw/zinc/95/21/47/556952147.db2.gz IDMZXVDUOBZDGC-HXUWFJFHSA-N 1 1 428.540 4.056 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072375947 556953548 /nfs/dbraw/zinc/95/35/48/556953548.db2.gz SFGACPALUQASNL-LJQANCHMSA-N 1 1 431.540 4.355 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072375947 556953551 /nfs/dbraw/zinc/95/35/51/556953551.db2.gz SFGACPALUQASNL-LJQANCHMSA-N 1 1 431.540 4.355 40 0 IIABMO OCCCn1cc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)c2ccccc21 ZINC000072376426 556954774 /nfs/dbraw/zinc/95/47/74/556954774.db2.gz HKDZDHKYZMFACD-QHCPKHFHSA-N 1 1 428.540 4.289 40 0 IIABMO CCOC(=O)c1cnc2c(-c3ccc(Br)cc3)c(C)nn2c1/C=C/[NH+](C)C ZINC000019960781 556955337 /nfs/dbraw/zinc/95/53/37/556955337.db2.gz JZMCZSVYBLAHED-ZHACJKMWSA-N 1 1 429.318 4.176 40 0 IIABMO CCOc1ccc(CN2Cc3cc(OC)ccc3O[C@@]3(CCC[N@@H+](C)CC3)C2)cc1OC ZINC000072394512 556965965 /nfs/dbraw/zinc/96/59/65/556965965.db2.gz PAHDQTYXCGTKOH-AREMUKBSSA-N 1 1 440.584 4.352 40 0 IIABMO O=C(N[C@H](c1nccs1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccn1 ZINC000072394621 556966232 /nfs/dbraw/zinc/96/62/32/556966232.db2.gz AIKFTESYJOPTTK-FQEVSTJZSA-N 1 1 428.508 4.200 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398585 556970277 /nfs/dbraw/zinc/97/02/77/556970277.db2.gz NHCVPLXYQUOXQQ-MBSDFSHPSA-N 1 1 425.573 4.214 40 0 IIABMO COc1ccc(F)c(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)c1 ZINC000585109807 557042101 /nfs/dbraw/zinc/04/21/01/557042101.db2.gz WGXSGPGLUUHHDI-JCYRPKCISA-N 1 1 438.543 4.038 40 0 IIABMO O=C(Cc1ccccc1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]21 ZINC000585110171 557042937 /nfs/dbraw/zinc/04/29/37/557042937.db2.gz RLXXATQGKSVEQK-LOSJGSFVSA-N 1 1 439.559 4.039 40 0 IIABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2ccccc2)c1 ZINC000585262116 557200807 /nfs/dbraw/zinc/20/08/07/557200807.db2.gz QZEQJAICMUXZIC-MQSCRBSSSA-N 1 1 435.568 4.183 40 0 IIABMO O=C(C1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000219421463 557243856 /nfs/dbraw/zinc/24/38/56/557243856.db2.gz IPLCSMNNYQDBDQ-UHFFFAOYSA-N 1 1 442.401 4.010 40 0 IIABMO O=C(CCCc1nc(-c2ccccc2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000604404450 557247273 /nfs/dbraw/zinc/24/72/73/557247273.db2.gz HFDOMHQXNUSQHE-NZCWTCFWSA-N 1 1 446.595 4.481 40 0 IIABMO Fc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928598 557271856 /nfs/dbraw/zinc/27/18/56/557271856.db2.gz DLXGHGLUFUFGCM-XMMPIXPASA-N 1 1 434.563 4.225 40 0 IIABMO CN1CCN(c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)CC1 ZINC000113935264 557378987 /nfs/dbraw/zinc/37/89/87/557378987.db2.gz CKOVPBRTVPNYBI-UHFFFAOYSA-N 1 1 440.591 4.249 40 0 IIABMO CN1CCN(c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)CC1 ZINC000113935264 557378990 /nfs/dbraw/zinc/37/89/90/557378990.db2.gz CKOVPBRTVPNYBI-UHFFFAOYSA-N 1 1 440.591 4.249 40 0 IIABMO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)n2)c1 ZINC000225589702 557748437 /nfs/dbraw/zinc/74/84/37/557748437.db2.gz PQBBKCQRKCIXSB-UHFFFAOYSA-N 1 1 442.922 4.366 40 0 IIABMO COCCOc1cc(C[N@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585271195 568617844 /nfs/dbraw/zinc/61/78/44/568617844.db2.gz TWVNXUOQWDABFF-XMMPIXPASA-N 1 1 449.975 4.088 40 0 IIABMO COc1ccc(CC[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cc1 ZINC000257202301 568666204 /nfs/dbraw/zinc/66/62/04/568666204.db2.gz ALESNWSNGRFGSI-XMMPIXPASA-N 1 1 441.959 4.309 40 0 IIABMO COc1ccc(CC[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cc1 ZINC000257202301 568666205 /nfs/dbraw/zinc/66/62/05/568666205.db2.gz ALESNWSNGRFGSI-XMMPIXPASA-N 1 1 441.959 4.309 40 0 IIABMO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257247569 568687311 /nfs/dbraw/zinc/68/73/11/568687311.db2.gz IZNQRLNXMSWZIS-IBGZPJMESA-N 1 1 446.555 4.047 40 0 IIABMO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257247569 568687313 /nfs/dbraw/zinc/68/73/13/568687313.db2.gz IZNQRLNXMSWZIS-IBGZPJMESA-N 1 1 446.555 4.047 40 0 IIABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)c2)s1 ZINC000257251152 568689038 /nfs/dbraw/zinc/68/90/38/568689038.db2.gz JPPXHJRAPQOTJC-HXUWFJFHSA-N 1 1 448.552 4.068 40 0 IIABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+]3Cc3cccs3)nn2c1C ZINC000257269229 568697148 /nfs/dbraw/zinc/69/71/48/568697148.db2.gz MPCSDOLHDIMSJJ-OAQYLSRUSA-N 1 1 425.602 4.204 40 0 IIABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+]3Cc3cccs3)nn2c1C ZINC000257269229 568697149 /nfs/dbraw/zinc/69/71/49/568697149.db2.gz MPCSDOLHDIMSJJ-OAQYLSRUSA-N 1 1 425.602 4.204 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1Cl ZINC000257284546 568704176 /nfs/dbraw/zinc/70/41/76/568704176.db2.gz PDCDWTPRPOBDME-ISKFKSNPSA-N 1 1 444.959 4.127 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1Cl ZINC000257284546 568704178 /nfs/dbraw/zinc/70/41/78/568704178.db2.gz PDCDWTPRPOBDME-ISKFKSNPSA-N 1 1 444.959 4.127 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)nc2)n1 ZINC000257298472 568710622 /nfs/dbraw/zinc/71/06/22/568710622.db2.gz RLTXMFCLTHMNDP-XMMPIXPASA-N 1 1 426.524 4.354 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)nc2)n1 ZINC000257298472 568710625 /nfs/dbraw/zinc/71/06/25/568710625.db2.gz RLTXMFCLTHMNDP-XMMPIXPASA-N 1 1 426.524 4.354 40 0 IIABMO Cn1nc([C@@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccccc1F ZINC000257311393 568716083 /nfs/dbraw/zinc/71/60/83/568716083.db2.gz UJGMQGRFPMNKAQ-VWLOTQADSA-N 1 1 446.526 4.302 40 0 IIABMO Cn1nc([C@@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccccc1F ZINC000257311393 568716084 /nfs/dbraw/zinc/71/60/84/568716084.db2.gz UJGMQGRFPMNKAQ-VWLOTQADSA-N 1 1 446.526 4.302 40 0 IIABMO Cc1ccccc1C[N@@H+]1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 ZINC000257322577 568721069 /nfs/dbraw/zinc/72/10/69/568721069.db2.gz WGNXPHFESJDUKH-QFIPXVFZSA-N 1 1 433.600 4.101 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257332388 568725387 /nfs/dbraw/zinc/72/53/87/568725387.db2.gz XXCMBOUZFRYGJE-FQEVSTJZSA-N 1 1 448.542 4.412 40 0 IIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccccn5)C4)nn3c2)c1OC ZINC000306125336 568763825 /nfs/dbraw/zinc/76/38/25/568763825.db2.gz CMXKGBKBQNSQLY-LJQANCHMSA-N 1 1 429.524 4.188 40 0 IIABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126621 568764390 /nfs/dbraw/zinc/76/43/90/568764390.db2.gz FALVMFQRJFZAAN-JYFHCDHNSA-N 1 1 447.558 4.016 40 0 IIABMO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329066642 568810962 /nfs/dbraw/zinc/81/09/62/568810962.db2.gz YDAXBIRZUKCAOG-LJQANCHMSA-N 1 1 438.494 4.490 40 0 IIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 ZINC000001367495 568898060 /nfs/dbraw/zinc/89/80/60/568898060.db2.gz XRADNBCJQKKTBE-FQEVSTJZSA-N 1 1 447.591 4.223 40 0 IIABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 ZINC000001367495 568898062 /nfs/dbraw/zinc/89/80/62/568898062.db2.gz XRADNBCJQKKTBE-FQEVSTJZSA-N 1 1 447.591 4.223 40 0 IIABMO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@]2(C1)Nc1ccccc1-n1cccc12 ZINC000057719661 568909075 /nfs/dbraw/zinc/90/90/75/568909075.db2.gz JQJPSFJSKBHQQH-HHHXNRCGSA-N 1 1 440.547 4.270 40 0 IIABMO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)cc21 ZINC000257199155 568921880 /nfs/dbraw/zinc/92/18/80/568921880.db2.gz UZKDOMKTZBWBIB-WSKLTFMVSA-N 1 1 433.596 4.323 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)[C@H]1CCCO1 ZINC000247472009 569205916 /nfs/dbraw/zinc/20/59/16/569205916.db2.gz FTXLTNVPTQTJCI-USCONSEESA-N 1 1 431.939 4.123 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)[C@H]1CCCO1 ZINC000247472009 569205918 /nfs/dbraw/zinc/20/59/18/569205918.db2.gz FTXLTNVPTQTJCI-USCONSEESA-N 1 1 431.939 4.123 40 0 IIABMO COc1ccc2c(c1)c([C@H](O)C[N@H+]1CCC[C@@](O)(c3ccc(F)cc3)CC1)c(C)n2C ZINC000019581552 569227149 /nfs/dbraw/zinc/22/71/49/569227149.db2.gz NYJGQVOZZSASPR-NOZRDPDXSA-N 1 1 426.532 4.042 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3cccnc3)CC2)sc1CCOc1ccccc1F ZINC000019696258 569229671 /nfs/dbraw/zinc/22/96/71/569229671.db2.gz RKOOLFCJNADFEO-XMMPIXPASA-N 1 1 441.572 4.481 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C1)CO2 ZINC000019704672 569233583 /nfs/dbraw/zinc/23/35/83/569233583.db2.gz NGBVPGSXJRRJDN-SFHVURJKSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C1)CO2 ZINC000019704672 569233586 /nfs/dbraw/zinc/23/35/86/569233586.db2.gz NGBVPGSXJRRJDN-SFHVURJKSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C1)CO2 ZINC000019704672 569233587 /nfs/dbraw/zinc/23/35/87/569233587.db2.gz NGBVPGSXJRRJDN-SFHVURJKSA-N 1 1 435.499 4.402 40 0 IIABMO COc1cccc2ccc(C[N@H+]3[C@H](Cc4ccccc4)C[C@@H]4NC(=O)CCCC[C@H]43)nc21 ZINC000019713889 569235809 /nfs/dbraw/zinc/23/58/09/569235809.db2.gz GOWTZRRNHUMNQE-TZRRMPRUSA-N 1 1 429.564 4.488 40 0 IIABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856928 569249215 /nfs/dbraw/zinc/24/92/15/569249215.db2.gz NITZGWKLTPEWQY-SIKLNZKXSA-N 1 1 449.016 4.223 40 0 IIABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000009281048 569294985 /nfs/dbraw/zinc/29/49/85/569294985.db2.gz LETHRQGOKYTXCQ-ZSQFBXSQSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000009281048 569294986 /nfs/dbraw/zinc/29/49/86/569294986.db2.gz LETHRQGOKYTXCQ-ZSQFBXSQSA-N 1 1 438.568 4.319 40 0 IIABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)c1ccccc1-c1ccccc1)CC2 ZINC000019710322 569327425 /nfs/dbraw/zinc/32/74/25/569327425.db2.gz ZBPIVNUEJICDCU-FQEVSTJZSA-N 1 1 441.579 4.193 40 0 IIABMO COc1ccc2c(c1)nc1n2[C@@H](C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)COC1 ZINC000096112401 291383630 /nfs/dbraw/zinc/38/36/30/291383630.db2.gz NUZZCRQGWYYAKZ-QFIPXVFZSA-N 1 1 443.551 4.225 40 0 biogenic,in-vitro IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000036734792 523810613 /nfs/dbraw/zinc/81/06/13/523810613.db2.gz UIALLSRHFRDELP-GCJKJVERSA-N 1 1 436.581 4.238 40 0 IIABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1 ZINC000072348792 526757474 /nfs/dbraw/zinc/75/74/74/526757474.db2.gz AKPIQCWATLJANA-IBGZPJMESA-N 1 1 431.502 4.493 40 0 IIABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945128 556516866 /nfs/dbraw/zinc/51/68/66/556516866.db2.gz ZIXFMLLIKRHRRF-LJQANCHMSA-N 1 1 449.492 4.405 40 0 IIABMO CC[NH+](CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C)OCO3 ZINC000031861167 556527557 /nfs/dbraw/zinc/52/75/57/556527557.db2.gz FEMIEKUWTKIHRN-PINLKFFASA-N 1 1 429.513 4.269 40 0 IIABMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000036628264 556599157 /nfs/dbraw/zinc/59/91/57/556599157.db2.gz LIFPRXUEBYRVNI-UHFFFAOYSA-N 1 1 425.536 4.455 40 0 IIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c(OC)c1 ZINC000038834660 556622822 /nfs/dbraw/zinc/62/28/22/556622822.db2.gz BGCQFCDAFVCALT-UHFFFAOYSA-N 1 1 433.346 4.317 40 0 IIABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccc3c(c2)OCO3)CC[C@@]1(C)O ZINC000514290010 556625869 /nfs/dbraw/zinc/62/58/69/556625869.db2.gz UTDGYJCBFFKFTQ-WPFOTENUSA-N 1 1 444.597 4.096 40 0 biogenic,in-vitro IIABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccc3c(c2)OCO3)CC[C@@]1(C)O ZINC000514290010 556625871 /nfs/dbraw/zinc/62/58/71/556625871.db2.gz UTDGYJCBFFKFTQ-WPFOTENUSA-N 1 1 444.597 4.096 40 0 biogenic,in-vitro IIABMO O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014729 556691833 /nfs/dbraw/zinc/69/18/33/556691833.db2.gz VYKBLEKZNOKEIC-IBGZPJMESA-N 1 1 426.605 4.159 40 0 IIABMO Cn1nc([C@@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257214295 556702699 /nfs/dbraw/zinc/70/26/99/556702699.db2.gz CLLZAAJQJZIGCI-VWLOTQADSA-N 1 1 446.526 4.302 40 0 IIABMO Cn1nc([C@@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257214295 556702700 /nfs/dbraw/zinc/70/27/00/556702700.db2.gz CLLZAAJQJZIGCI-VWLOTQADSA-N 1 1 446.526 4.302 40 0 IIABMO COCCOc1cc(C[N@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000257332907 556705854 /nfs/dbraw/zinc/70/58/54/556705854.db2.gz XZHJMIIUIBMKGD-VWLOTQADSA-N 1 1 447.547 4.310 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257220060 556707390 /nfs/dbraw/zinc/70/73/90/556707390.db2.gz DJJFUSWUGQGNNA-JOCHJYFZSA-N 1 1 440.547 4.119 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242354 556710369 /nfs/dbraw/zinc/71/03/69/556710369.db2.gz ICBVTRQQQDWWMW-FYYLOGMGSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242354 556710372 /nfs/dbraw/zinc/71/03/72/556710372.db2.gz ICBVTRQQQDWWMW-FYYLOGMGSA-N 1 1 448.485 4.484 40 0 IIABMO Fc1cccc(COc2ccccc2C[N@H+]2CCOC[C@@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257292475 556716415 /nfs/dbraw/zinc/71/64/15/556716415.db2.gz QLQXRPTVYVKXFU-NRFANRHFSA-N 1 1 446.526 4.139 40 0 IIABMO Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)c1 ZINC000019234760 556719138 /nfs/dbraw/zinc/71/91/38/556719138.db2.gz CVTGEJFOWRTGBO-DEOSSOPVSA-N 1 1 448.611 4.478 40 0 IIABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019287656 556728249 /nfs/dbraw/zinc/72/82/49/556728249.db2.gz CBYYWRMOCQTRDA-HOCLYGCPSA-N 1 1 448.493 4.029 40 0 IIABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019290177 556730080 /nfs/dbraw/zinc/73/00/80/556730080.db2.gz LUWJCFQVOLFEBC-GOSISDBHSA-N 1 1 438.526 4.135 40 0 IIABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000019290161 556730175 /nfs/dbraw/zinc/73/01/75/556730175.db2.gz FZIZKCIXNATBJH-JOCHJYFZSA-N 1 1 430.600 4.290 40 0 IIABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1OCc1cccc(F)c1)C2 ZINC000019291414 556731486 /nfs/dbraw/zinc/73/14/86/556731486.db2.gz LBJBAWXLAHWPPI-KMXBQNHCSA-N 1 1 435.543 4.258 40 0 IIABMO O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019342686 556740283 /nfs/dbraw/zinc/74/02/83/556740283.db2.gz NCMBJJLNXQQLFH-LJQANCHMSA-N 1 1 426.586 4.302 40 0 IIABMO O=C(N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400906 556753576 /nfs/dbraw/zinc/75/35/76/556753576.db2.gz VQJVJDVXNVGRDF-FYYLOGMGSA-N 1 1 435.568 4.255 40 0 IIABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448401 556758040 /nfs/dbraw/zinc/75/80/40/556758040.db2.gz JEIGZGCNZOKSOD-IBGZPJMESA-N 1 1 440.613 4.256 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccsc4)[nH]c(=O)c3C2)CC1 ZINC000019495999 556768692 /nfs/dbraw/zinc/76/86/92/556768692.db2.gz WPJMIYFDTPFYII-IAYYMHMVSA-N 1 1 440.613 4.087 40 0 IIABMO CCc1ncc(C[N@H+]2CCC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523365 556780772 /nfs/dbraw/zinc/78/07/72/556780772.db2.gz XRXXCJCQKVNGMQ-MHZLTWQESA-N 1 1 443.595 4.014 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527406 556785877 /nfs/dbraw/zinc/78/58/77/556785877.db2.gz UHEKVSMWKDRXAI-RUZDIDTESA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527406 556785882 /nfs/dbraw/zinc/78/58/82/556785882.db2.gz UHEKVSMWKDRXAI-RUZDIDTESA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cccc(OC)c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527710 556786958 /nfs/dbraw/zinc/78/69/58/556786958.db2.gz MXHNWBUDCZTQRA-XMMPIXPASA-N 1 1 429.564 4.280 40 0 IIABMO CCN1CC[N@@H+](Cc2ccccc2OC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527763 556787439 /nfs/dbraw/zinc/78/74/39/556787439.db2.gz VEZHDCUNBRBFSU-DEOSSOPVSA-N 1 1 429.564 4.280 40 0 IIABMO CCN1CC[N@@H+](Cc2ccc(OC)cc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527755 556787509 /nfs/dbraw/zinc/78/75/09/556787509.db2.gz TVJBZFJLDLOLDQ-DEOSSOPVSA-N 1 1 429.564 4.280 40 0 IIABMO Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019566157 556806912 /nfs/dbraw/zinc/80/69/12/556806912.db2.gz VUOVYLDPZMZMKW-FQEVSTJZSA-N 1 1 434.540 4.371 40 0 IIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000019591311 556826502 /nfs/dbraw/zinc/82/65/02/556826502.db2.gz LRWSXRUUEZJFEH-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000019591283 556826506 /nfs/dbraw/zinc/82/65/06/556826506.db2.gz OLQFSRRIDRNDHJ-VWLOTQADSA-N 1 1 434.971 4.368 40 0 IIABMO COCCC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019593239 556829874 /nfs/dbraw/zinc/82/98/74/556829874.db2.gz YJDADOUQVXDNLU-QFIPXVFZSA-N 1 1 436.383 4.494 40 0 IIABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc2c1 ZINC000006301208 556832198 /nfs/dbraw/zinc/83/21/98/556832198.db2.gz DKUUHUCCIOWRFX-XMMPIXPASA-N 1 1 442.567 4.145 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695809 556852631 /nfs/dbraw/zinc/85/26/31/556852631.db2.gz PUCQMIGJMHXIIB-FQEVSTJZSA-N 1 1 445.542 4.178 40 0 IIABMO CNc1nc([C@@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nc2c1CC[N@H+](C)C2 ZINC000019707373 556866891 /nfs/dbraw/zinc/86/68/91/556866891.db2.gz FADQXBXGDJEILW-QHCPKHFHSA-N 1 1 427.552 4.151 40 0 IIABMO CNc1nc([C@@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)nc2c1CC[N@@H+](C)C2 ZINC000019707373 556866895 /nfs/dbraw/zinc/86/68/95/556866895.db2.gz FADQXBXGDJEILW-QHCPKHFHSA-N 1 1 427.552 4.151 40 0 IIABMO Cc1nc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019740898 556882003 /nfs/dbraw/zinc/88/20/03/556882003.db2.gz BLGYUCIGYQOZGF-DEOSSOPVSA-N 1 1 441.579 4.429 40 0 IIABMO Cc1nc([C@@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019740898 556882006 /nfs/dbraw/zinc/88/20/06/556882006.db2.gz BLGYUCIGYQOZGF-DEOSSOPVSA-N 1 1 441.579 4.429 40 0 IIABMO COc1cccc(CNc2cc(CC3CCN(C(=O)[C@H]4CC45CCC5)CC3)[nH+]c(C)n2)c1 ZINC000019758798 556902643 /nfs/dbraw/zinc/90/26/43/556902643.db2.gz WZBOWWJRFBCGDR-HSZRJFAPSA-N 1 1 434.584 4.377 40 0 IIABMO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@H+](Cc4cccc(F)c4F)[C@@H]3C2)cc1OC ZINC000072330674 556906954 /nfs/dbraw/zinc/90/69/54/556906954.db2.gz XXCGAKFLIDHTLH-GHTZIAJQSA-N 1 1 444.522 4.038 40 0 IIABMO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@@H+](Cc4cccc(F)c4F)[C@@H]3C2)cc1OC ZINC000072330674 556906956 /nfs/dbraw/zinc/90/69/56/556906956.db2.gz XXCGAKFLIDHTLH-GHTZIAJQSA-N 1 1 444.522 4.038 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072337791 556910845 /nfs/dbraw/zinc/91/08/45/556910845.db2.gz DJXUQURBNQRDRV-JXFKEZNVSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072337791 556910850 /nfs/dbraw/zinc/91/08/50/556910850.db2.gz DJXUQURBNQRDRV-JXFKEZNVSA-N 1 1 428.508 4.200 40 0 IIABMO Cc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)cc1 ZINC000072369597 556933532 /nfs/dbraw/zinc/93/35/32/556933532.db2.gz KHEFDUBJQUGLIL-QFIPXVFZSA-N 1 1 447.627 4.491 40 0 IIABMO CCn1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(OC)cc4)n[nH]3)C2)nc2ccccc21 ZINC000072371456 556939117 /nfs/dbraw/zinc/93/91/17/556939117.db2.gz GFBHRCKDOQMRGZ-LJQANCHMSA-N 1 1 445.567 4.399 40 0 IIABMO CCn1c(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(OC)cc4)[nH]n3)C2)nc2ccccc21 ZINC000072371456 556939121 /nfs/dbraw/zinc/93/91/21/556939121.db2.gz GFBHRCKDOQMRGZ-LJQANCHMSA-N 1 1 445.567 4.399 40 0 IIABMO CCn1c(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(OC)cc4)[nH]n3)C2)nc2ccccc21 ZINC000072371456 556939125 /nfs/dbraw/zinc/93/91/25/556939125.db2.gz GFBHRCKDOQMRGZ-LJQANCHMSA-N 1 1 445.567 4.399 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371743 556940538 /nfs/dbraw/zinc/94/05/38/556940538.db2.gz ZWIWVRRYTKCOPU-KRWDZBQOSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371743 556940539 /nfs/dbraw/zinc/94/05/39/556940539.db2.gz ZWIWVRRYTKCOPU-KRWDZBQOSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371743 556940540 /nfs/dbraw/zinc/94/05/40/556940540.db2.gz ZWIWVRRYTKCOPU-KRWDZBQOSA-N 1 1 425.964 4.135 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3ccc(F)cn3)n2)c1 ZINC000072375860 556953345 /nfs/dbraw/zinc/95/33/45/556953345.db2.gz VUJRLPGSIFFAQO-QFIPXVFZSA-N 1 1 449.530 4.163 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3ccc(F)cn3)n2)c1 ZINC000072375860 556953347 /nfs/dbraw/zinc/95/33/47/556953347.db2.gz VUJRLPGSIFFAQO-QFIPXVFZSA-N 1 1 449.530 4.163 40 0 IIABMO Cc1cccc(C[N@@H+]2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000072391238 556961749 /nfs/dbraw/zinc/96/17/49/556961749.db2.gz OVKDYXCMRXHZMO-HHHXNRCGSA-N 1 1 428.580 4.365 40 0 IIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2cncn2CC)C1 ZINC000072394017 556965316 /nfs/dbraw/zinc/96/53/16/556965316.db2.gz APNIDZWYGAOMEV-XMMPIXPASA-N 1 1 440.519 4.085 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000072398579 556970037 /nfs/dbraw/zinc/97/00/37/556970037.db2.gz BWUHHFMUGQHLPG-CVDCTZTESA-N 1 1 425.573 4.214 40 0 IIABMO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1ccccc1 ZINC000585110042 557042470 /nfs/dbraw/zinc/04/24/70/557042470.db2.gz ARCIQXTWSFRTPU-RPWUZVMVSA-N 1 1 425.532 4.110 40 0 IIABMO O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]21)c1ccccc1 ZINC000585110040 557042523 /nfs/dbraw/zinc/04/25/23/557042523.db2.gz ARCIQXTWSFRTPU-BJKOFHAPSA-N 1 1 425.532 4.110 40 0 IIABMO CC(C)CCN1[C@H]2CC[N@H+](Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263930 557191728 /nfs/dbraw/zinc/19/17/28/557191728.db2.gz IYQWMNVCZPRHMO-VXKWHMMOSA-N 1 1 446.588 4.288 40 0 IIABMO CC(C)CCN1[C@H]2CC[N@@H+](Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263930 557191734 /nfs/dbraw/zinc/19/17/34/557191734.db2.gz IYQWMNVCZPRHMO-VXKWHMMOSA-N 1 1 446.588 4.288 40 0 IIABMO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CCCO2)cc1 ZINC000585262575 557202621 /nfs/dbraw/zinc/20/26/21/557202621.db2.gz UNLVBCPRLYGXCA-IBVKSMDESA-N 1 1 440.559 4.051 40 0 IIABMO Cc1cnn(CCCOc2cccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271709 557215861 /nfs/dbraw/zinc/21/58/61/557215861.db2.gz NCXRZQOJDBRZOY-SANMLTNESA-N 1 1 435.568 4.067 40 0 IIABMO COc1cc([C@@H]2c3cc4c(cc3O[C@@H]([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000100695868 557270451 /nfs/dbraw/zinc/27/04/51/557270451.db2.gz LRLXUQCQYHLPOQ-PINLKFFASA-N 1 1 427.497 4.023 40 0 IIABMO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222597148 557359004 /nfs/dbraw/zinc/35/90/04/557359004.db2.gz UCDRXDSDDSGTKF-INIZCTEOSA-N 1 1 430.961 4.322 40 0 IIABMO O=S(=O)(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Br)cc1 ZINC000222987559 557412573 /nfs/dbraw/zinc/41/25/73/557412573.db2.gz YIBYQVGCIJOWBR-UHFFFAOYSA-N 1 1 440.750 4.041 40 0 IIABMO O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224751211 557647557 /nfs/dbraw/zinc/64/75/57/557647557.db2.gz ZNYFOONEAASIFX-UHFFFAOYSA-N 1 1 439.408 4.375 40 0 IIABMO S=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc(Br)cn1 ZINC000225224482 557702161 /nfs/dbraw/zinc/70/21/61/557702161.db2.gz DTVCNHACHQOAJW-UHFFFAOYSA-N 1 1 436.766 4.444 40 0 IIABMO COc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589392 557748450 /nfs/dbraw/zinc/74/84/50/557748450.db2.gz NYUUPLWOKDJZHE-INIZCTEOSA-N 1 1 434.939 4.283 40 0 IIABMO O=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675862 560095599 /nfs/dbraw/zinc/09/55/99/560095599.db2.gz ATZCCPQPDFHHOU-SFHVURJKSA-N 1 1 426.908 4.255 40 0 biogenic,in-vitro IIABMO Cn1nc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257202351 568666116 /nfs/dbraw/zinc/66/61/16/568666116.db2.gz ALJUQNOFTQJLKJ-DEOSSOPVSA-N 1 1 425.960 4.311 40 0 IIABMO Cn1nc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257202351 568666117 /nfs/dbraw/zinc/66/61/17/568666117.db2.gz ALJUQNOFTQJLKJ-DEOSSOPVSA-N 1 1 425.960 4.311 40 0 IIABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000257216234 568672517 /nfs/dbraw/zinc/67/25/17/568672517.db2.gz CTQSFLYKSWSYGK-FQEVSTJZSA-N 1 1 431.540 4.072 40 0 IIABMO CC[C@@H](C)C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257221035 568675014 /nfs/dbraw/zinc/67/50/14/568675014.db2.gz DNGIFFZEYGCUQE-DVECYGJZSA-N 1 1 437.024 4.404 40 0 IIABMO Cc1ccccc1C[N@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000257231089 568679400 /nfs/dbraw/zinc/67/94/00/568679400.db2.gz GFEMXJOYWPRICP-LWSSLDFYSA-N 1 1 440.584 4.291 40 0 IIABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257232768 568680313 /nfs/dbraw/zinc/68/03/13/568680313.db2.gz GMIIXQUNZUJYMY-HXUWFJFHSA-N 1 1 447.558 4.497 40 0 IIABMO COc1cccc(CNC(=O)Cc2c(C)nc([C@H]3CC[N@@H+](C[C@H]4CC=CCC4)C3)nc2C)c1 ZINC000257233308 568680744 /nfs/dbraw/zinc/68/07/44/568680744.db2.gz GOROOYLGGDRCNH-GMAHTHKFSA-N 1 1 448.611 4.107 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257234432 568681043 /nfs/dbraw/zinc/68/10/43/568681043.db2.gz GTNDFFITXXKVQU-NRFANRHFSA-N 1 1 440.547 4.119 40 0 IIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@@H+]2CCOc2ccccc2F)n1 ZINC000257250143 568688777 /nfs/dbraw/zinc/68/87/77/568688777.db2.gz JLESQAHVYYPZNU-HSZRJFAPSA-N 1 1 448.542 4.460 40 0 IIABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@H+]2CCOc2ccccc2F)n1 ZINC000257250143 568688778 /nfs/dbraw/zinc/68/87/78/568688778.db2.gz JLESQAHVYYPZNU-HSZRJFAPSA-N 1 1 448.542 4.460 40 0 IIABMO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)cc1 ZINC000257257328 568692122 /nfs/dbraw/zinc/69/21/22/568692122.db2.gz KPCFROITENWNOM-RUZDIDTESA-N 1 1 445.611 4.457 40 0 IIABMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)cc1 ZINC000257257328 568692125 /nfs/dbraw/zinc/69/21/25/568692125.db2.gz KPCFROITENWNOM-RUZDIDTESA-N 1 1 445.611 4.457 40 0 IIABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4ccc5[nH]c(C)nc5c4)CCO3)c2)s1 ZINC000257259607 568692952 /nfs/dbraw/zinc/69/29/52/568692952.db2.gz KZCAXTKSERMLFK-OAQYLSRUSA-N 1 1 448.552 4.297 40 0 IIABMO Cc1nc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000257267356 568696482 /nfs/dbraw/zinc/69/64/82/568696482.db2.gz MGXWSCHTFHJGTP-XMMPIXPASA-N 1 1 440.591 4.339 40 0 IIABMO Cc1ccccc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257277266 568700874 /nfs/dbraw/zinc/70/08/74/568700874.db2.gz NXDPAZLFFHSDJZ-DEOSSOPVSA-N 1 1 427.495 4.202 40 0 IIABMO Cc1ccccc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257277266 568700877 /nfs/dbraw/zinc/70/08/77/568700877.db2.gz NXDPAZLFFHSDJZ-DEOSSOPVSA-N 1 1 427.495 4.202 40 0 IIABMO COCCn1cc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)c2ccccc21 ZINC000257294496 568708796 /nfs/dbraw/zinc/70/87/96/568708796.db2.gz QUKYJBFSZBOQHN-VWLOTQADSA-N 1 1 443.551 4.395 40 0 IIABMO COCCn1cc(C[N@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)c2ccccc21 ZINC000257294496 568708798 /nfs/dbraw/zinc/70/87/98/568708798.db2.gz QUKYJBFSZBOQHN-VWLOTQADSA-N 1 1 443.551 4.395 40 0 IIABMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c(C)c1C ZINC000257309091 568715083 /nfs/dbraw/zinc/71/50/83/568715083.db2.gz TZMYHYOYDYVTMI-HSZRJFAPSA-N 1 1 435.572 4.374 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c(C)c1C ZINC000257309091 568715086 /nfs/dbraw/zinc/71/50/86/568715086.db2.gz TZMYHYOYDYVTMI-HSZRJFAPSA-N 1 1 435.572 4.374 40 0 IIABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCCC4)CCO2)[nH+]1 ZINC000257310036 568715459 /nfs/dbraw/zinc/71/54/59/568715459.db2.gz UDLCWJCAQFTRHV-QFIPXVFZSA-N 1 1 446.555 4.043 40 0 IIABMO COc1ccc(-c2cccc3nc([C@H]4C[N@H+](Cc5cccc(C)n5)CCN4C)cn32)cc1 ZINC000306126537 568764189 /nfs/dbraw/zinc/76/41/89/568764189.db2.gz DYQHJOZXAKBEQZ-RUZDIDTESA-N 1 1 427.552 4.202 40 0 IIABMO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](Cc5cccc(C)n5)CCN4C)cn32)cc1 ZINC000306126537 568764190 /nfs/dbraw/zinc/76/41/90/568764190.db2.gz DYQHJOZXAKBEQZ-RUZDIDTESA-N 1 1 427.552 4.202 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126623 568764500 /nfs/dbraw/zinc/76/45/00/568764500.db2.gz FALVMFQRJFZAAN-ZEQKJWHPSA-N 1 1 447.558 4.016 40 0 IIABMO COc1ccc(-c2cccc3nc([C@H]4C[N@H+](Cc5scnc5C)CCN4C)cn32)cc1 ZINC000306132174 568767170 /nfs/dbraw/zinc/76/71/70/568767170.db2.gz LAVPCRIYJKTFFE-JOCHJYFZSA-N 1 1 433.581 4.264 40 0 IIABMO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](Cc5scnc5C)CCN4C)cn32)cc1 ZINC000306132174 568767172 /nfs/dbraw/zinc/76/71/72/568767172.db2.gz LAVPCRIYJKTFFE-JOCHJYFZSA-N 1 1 433.581 4.264 40 0 IIABMO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC000257199153 568921914 /nfs/dbraw/zinc/92/19/14/568921914.db2.gz UZKDOMKTZBWBIB-POMLREGLSA-N 1 1 433.596 4.323 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)[C@H]1CCCO1 ZINC000247522811 569205980 /nfs/dbraw/zinc/20/59/80/569205980.db2.gz YHUKXGSHORGOJF-QIJUGHKUSA-N 1 1 447.501 4.349 40 0 IIABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000247877536 569206305 /nfs/dbraw/zinc/20/63/05/569206305.db2.gz BAPYSICWELXKOR-YADHBBJMSA-N 1 1 441.535 4.474 40 0 IIABMO CC(C)[N@H+]1CC[C@@H](CCc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)[C@@H](C)C1 ZINC000247969011 569206672 /nfs/dbraw/zinc/20/66/72/569206672.db2.gz CNVRDTJIEDZNDR-RBBKRZOGSA-N 1 1 446.595 4.334 40 0 IIABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000253598604 569209005 /nfs/dbraw/zinc/20/90/05/569209005.db2.gz DTAQOTVZXUPCDE-XLIONFOSSA-N 1 1 438.597 4.130 40 0 IIABMO C[C@H](C(=O)Nc1ccc(CC[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000253607078 569209185 /nfs/dbraw/zinc/20/91/85/569209185.db2.gz RAZNZCDJPFHABZ-CMKODMSKSA-N 1 1 432.568 4.186 40 0 IIABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000012219521 569224895 /nfs/dbraw/zinc/22/48/95/569224895.db2.gz LZABBTJKHPFIIK-KRWDZBQOSA-N 1 1 446.382 4.254 40 0 IIABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236208 569226451 /nfs/dbraw/zinc/22/64/51/569226451.db2.gz TZFTVNCSJOVSCL-NBGIEHNGSA-N 1 1 430.552 4.177 40 0 IIABMO COc1ccc(NC(=O)[C@H]2C[C@@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587646 569227297 /nfs/dbraw/zinc/22/72/97/569227297.db2.gz JRHLZFNEQBHRMP-CYFREDJKSA-N 1 1 443.538 4.144 40 0 IIABMO Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCC[N@H+]3Cc3cccnc3)on2)cc1 ZINC000019696502 569229782 /nfs/dbraw/zinc/22/97/82/569229782.db2.gz YCVNSOJTPSUIGT-SANMLTNESA-N 1 1 432.568 4.395 40 0 IIABMO CC[NH+]1CCC(CC(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NCc4ccccc4)n3)C2)CC1 ZINC000019705102 569233974 /nfs/dbraw/zinc/23/39/74/569233974.db2.gz FRBGFGUISQDQGC-OAQYLSRUSA-N 1 1 446.599 4.008 40 0 IIABMO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000019739156 569236398 /nfs/dbraw/zinc/23/63/98/569236398.db2.gz QRFHVDGAIKGFNO-RUZDIDTESA-N 1 1 443.563 4.263 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)nc2C)c1 ZINC000019763390 569238119 /nfs/dbraw/zinc/23/81/19/569238119.db2.gz XVLZMBWCJQEDKW-JOCHJYFZSA-N 1 1 436.600 4.483 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765491 569238750 /nfs/dbraw/zinc/23/87/50/569238750.db2.gz UOCBJHFKMJAUEE-JOCHJYFZSA-N 1 1 432.543 4.276 40 0 IIABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855652 569249309 /nfs/dbraw/zinc/24/93/09/569249309.db2.gz WHBQLHPYLZUFDU-PGRDOPGGSA-N 1 1 426.532 4.465 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765130 569329051 /nfs/dbraw/zinc/32/90/51/569329051.db2.gz NJBQPKCAPKYESB-IBGZPJMESA-N 1 1 434.515 4.435 40 0 IIABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccc(OC(F)(F)F)c3)n2)cn1 ZINC000035426303 522129399 /nfs/dbraw/zinc/12/93/99/522129399.db2.gz GKRMLPGAJUBRKU-KRWDZBQOSA-N 1 1 433.434 4.433 40 0 biogenic,in-vitro IIABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccc(OC(F)(F)F)c3)n2)cn1 ZINC000035426303 522129418 /nfs/dbraw/zinc/12/94/18/522129418.db2.gz GKRMLPGAJUBRKU-KRWDZBQOSA-N 1 1 433.434 4.433 40 0 biogenic,in-vitro IIABMO COc1cc(C(=O)Nc2ccc(CC[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cc(OC)c1OC ZINC000012182104 522153298 /nfs/dbraw/zinc/15/32/98/522153298.db2.gz RLMMNYBLPACGEX-HKUYNNGSSA-N 1 1 426.557 4.485 40 0 IIABMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1ccccc1C(F)(F)F ZINC000012643899 526823602 /nfs/dbraw/zinc/82/36/02/526823602.db2.gz DLDPARFLTGVCHA-YQQQUEKLSA-N 1 1 445.485 4.459 40 0 IIABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1ccccc1C(F)(F)F ZINC000012643899 526823609 /nfs/dbraw/zinc/82/36/09/526823609.db2.gz DLDPARFLTGVCHA-YQQQUEKLSA-N 1 1 445.485 4.459 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(Cl)cc1Br ZINC000020458772 527384013 /nfs/dbraw/zinc/38/40/13/527384013.db2.gz KDYKNPOWTYFKGN-UHFFFAOYSA-N 1 1 434.721 4.292 40 0 IIABMO O=C(C[NH+]1CCCCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408582325 555933987 /nfs/dbraw/zinc/93/39/87/555933987.db2.gz MYTKDXUHBLAOBC-UHFFFAOYSA-N 1 1 425.598 4.371 40 0 IIABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]31)OCO2 ZINC000013226774 556499631 /nfs/dbraw/zinc/49/96/31/556499631.db2.gz MHTWWOIROATECU-XLIONFOSSA-N 1 1 446.469 4.479 40 0 IIABMO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000030946147 556517319 /nfs/dbraw/zinc/51/73/19/556517319.db2.gz IYKAFZAGGRXCBV-UHFFFAOYSA-N 1 1 431.374 4.328 40 0 IIABMO CCc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2C)c(Br)c1 ZINC000038772428 556619370 /nfs/dbraw/zinc/61/93/70/556619370.db2.gz QKIVSLHPGXGBQH-UHFFFAOYSA-N 1 1 428.330 4.201 40 0 IIABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856926 556672650 /nfs/dbraw/zinc/67/26/50/556672650.db2.gz NITZGWKLTPEWQY-DENIHFKCSA-N 1 1 449.016 4.223 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@@H](Cc3cccc4ccncc43)C2)c1 ZINC000257322482 556704586 /nfs/dbraw/zinc/70/45/86/556704586.db2.gz WGDQWFTYTDWEGY-QFIPXVFZSA-N 1 1 440.547 4.119 40 0 IIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133975 556705415 /nfs/dbraw/zinc/70/54/15/556705415.db2.gz IVEKBJLYLDIVRD-HXUWFJFHSA-N 1 1 432.572 4.164 40 0 IIABMO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)cc1 ZINC000019209731 556708369 /nfs/dbraw/zinc/70/83/69/556708369.db2.gz BBIKJUPRUVNFHI-XMMPIXPASA-N 1 1 448.611 4.478 40 0 IIABMO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019209758 556708870 /nfs/dbraw/zinc/70/88/70/556708870.db2.gz YFYVYJYFHUIIRS-DEOSSOPVSA-N 1 1 448.611 4.065 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244617 556710644 /nfs/dbraw/zinc/71/06/44/556710644.db2.gz IMCMMOVBELFYBH-GGAORHGYSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244617 556710646 /nfs/dbraw/zinc/71/06/46/556710646.db2.gz IMCMMOVBELFYBH-GGAORHGYSA-N 1 1 448.485 4.484 40 0 IIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000019213956 556711105 /nfs/dbraw/zinc/71/11/05/556711105.db2.gz ZFIJVCKJLSCBAZ-HHHXNRCGSA-N 1 1 428.580 4.331 40 0 IIABMO COc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257260487 556712399 /nfs/dbraw/zinc/71/23/99/556712399.db2.gz LDBQLRGGLIAKRI-HXUWFJFHSA-N 1 1 428.536 4.096 40 0 IIABMO Cc1[nH]c2ccc(CNC(=O)C[N@@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)cc2c1C ZINC000257291290 556716332 /nfs/dbraw/zinc/71/63/32/556716332.db2.gz QGJJRJVPFSLRLV-NRFANRHFSA-N 1 1 445.563 4.338 40 0 IIABMO Cc1[nH]c2ccc(CNC(=O)C[N@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)cc2c1C ZINC000257291290 556716334 /nfs/dbraw/zinc/71/63/34/556716334.db2.gz QGJJRJVPFSLRLV-NRFANRHFSA-N 1 1 445.563 4.338 40 0 IIABMO O=C1O[C@]2(CC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccccc1 ZINC000257297847 556717162 /nfs/dbraw/zinc/71/71/62/556717162.db2.gz RIZVGMJUOMQSTA-SANMLTNESA-N 1 1 429.520 4.258 40 0 IIABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000019290167 556730108 /nfs/dbraw/zinc/73/01/08/556730108.db2.gz FXSPLGUARXLNGI-SFHVURJKSA-N 1 1 438.526 4.135 40 0 IIABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[nH]c2=O)C1 ZINC000019448357 556757676 /nfs/dbraw/zinc/75/76/76/556757676.db2.gz ZOAMMLWETAHBNF-IBGZPJMESA-N 1 1 440.613 4.256 40 0 IIABMO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c(OC)c1 ZINC000001326370 556772229 /nfs/dbraw/zinc/77/22/29/556772229.db2.gz HQFDVCRCIRFBNE-UHFFFAOYSA-N 1 1 428.920 4.052 40 0 IIABMO CCCN1CC[N@H+](Cc2cnc(CC)nc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503070 556774378 /nfs/dbraw/zinc/77/43/78/556774378.db2.gz BSAXZCPOMZBUSH-VWLOTQADSA-N 1 1 443.595 4.014 40 0 IIABMO CCCN1CC[N@@H+](Cc2cnc(CC)nc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503070 556774382 /nfs/dbraw/zinc/77/43/82/556774382.db2.gz BSAXZCPOMZBUSH-VWLOTQADSA-N 1 1 443.595 4.014 40 0 IIABMO CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019503571 556775375 /nfs/dbraw/zinc/77/53/75/556775375.db2.gz BHVHZJNGZZQHJM-MHZLTWQESA-N 1 1 428.580 4.495 40 0 IIABMO CCc1ncc(C[NH+]2CCC([C@@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)cn1 ZINC000019523335 556780724 /nfs/dbraw/zinc/78/07/24/556780724.db2.gz CWYUCQFWVCBDEG-RUZDIDTESA-N 1 1 429.568 4.126 40 0 IIABMO CCn1c(C)c(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523870 556780977 /nfs/dbraw/zinc/78/09/77/556780977.db2.gz CJBYDJAMIGINOS-WNCULLNHSA-N 1 1 446.595 4.402 40 0 IIABMO CCN1CC[N@@H+](Cc2ccccc2OC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527714 556787028 /nfs/dbraw/zinc/78/70/28/556787028.db2.gz SXPHEIJSNNYTAC-XMMPIXPASA-N 1 1 429.564 4.280 40 0 IIABMO CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000019528760 556789064 /nfs/dbraw/zinc/78/90/64/556789064.db2.gz ZYVZWKWNLXRASP-RUZDIDTESA-N 1 1 436.625 4.418 40 0 IIABMO Cc1c(C[N@@H+]2CCC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)cnn1C ZINC000019553618 556797377 /nfs/dbraw/zinc/79/73/77/556797377.db2.gz ZUFACYUYBUFDQQ-HHHXNRCGSA-N 1 1 445.611 4.140 40 0 IIABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c(C)n1 ZINC000019694344 556850136 /nfs/dbraw/zinc/85/01/36/556850136.db2.gz MPKGZYHROMUCOG-QHCPKHFHSA-N 1 1 434.588 4.470 40 0 IIABMO CC(C)n1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2ccccc21 ZINC000019708171 556868277 /nfs/dbraw/zinc/86/82/77/556868277.db2.gz NNQRFEUJFKSYIK-RUZDIDTESA-N 1 1 432.568 4.427 40 0 IIABMO CC(=O)N1CCC[C@H]1c1nc2c(c(NCC3(c4ccccc4)CCCC3)n1)CC[N@@H+](C)C2 ZINC000019752903 556896530 /nfs/dbraw/zinc/89/65/30/556896530.db2.gz HCMLCGJOYGLLAO-QHCPKHFHSA-N 1 1 433.600 4.072 40 0 IIABMO CC(=O)N1CCC[C@H]1c1nc2c(c(NCC3(c4ccccc4)CCCC3)n1)CC[N@H+](C)C2 ZINC000019752903 556896532 /nfs/dbraw/zinc/89/65/32/556896532.db2.gz HCMLCGJOYGLLAO-QHCPKHFHSA-N 1 1 433.600 4.072 40 0 IIABMO C[C@H](C(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@H]2C)cc1)n1ncc2ccccc2c1=O ZINC000072335307 556908275 /nfs/dbraw/zinc/90/82/75/556908275.db2.gz WSYMNBBJHPQMAU-SBHAEUEKSA-N 1 1 432.568 4.117 40 0 IIABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000072337788 556910875 /nfs/dbraw/zinc/91/08/75/556910875.db2.gz HPDFJXXPPNBDQC-QLLCAIDHSA-N 1 1 448.592 4.443 40 0 IIABMO O=C(C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCCC1 ZINC000072359370 556932494 /nfs/dbraw/zinc/93/24/94/556932494.db2.gz DEIAHEQWDJCRDB-GOSISDBHSA-N 1 1 432.490 4.354 40 0 IIABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC000072370434 556934857 /nfs/dbraw/zinc/93/48/57/556934857.db2.gz GZTKDKOXDVGJMO-SFHVURJKSA-N 1 1 438.597 4.170 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCCCC1 ZINC000072370703 556935963 /nfs/dbraw/zinc/93/59/63/556935963.db2.gz MIIFTRUJUPTFAB-IBGZPJMESA-N 1 1 441.641 4.403 40 0 IIABMO O=C(C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371242 556937824 /nfs/dbraw/zinc/93/78/24/556937824.db2.gz JOJRYRXINVRWPJ-MRXNPFEDSA-N 1 1 442.922 4.252 40 0 IIABMO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371242 556937826 /nfs/dbraw/zinc/93/78/26/556937826.db2.gz JOJRYRXINVRWPJ-MRXNPFEDSA-N 1 1 442.922 4.252 40 0 IIABMO COc1cccc(CC(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)c1 ZINC000072372538 556943194 /nfs/dbraw/zinc/94/31/94/556943194.db2.gz KSEBQGUJBIDGMK-QHCPKHFHSA-N 1 1 431.540 4.455 40 0 IIABMO Cc1csc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)n1 ZINC000072375655 556952179 /nfs/dbraw/zinc/95/21/79/556952179.db2.gz VBLXFFOGBQINFL-SFHVURJKSA-N 1 1 434.569 4.118 40 0 IIABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c1 ZINC000072375857 556953169 /nfs/dbraw/zinc/95/31/69/556953169.db2.gz USBXASMMNIZZAZ-QHCPKHFHSA-N 1 1 445.567 4.333 40 0 IIABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c1 ZINC000072375857 556953174 /nfs/dbraw/zinc/95/31/74/556953174.db2.gz USBXASMMNIZZAZ-QHCPKHFHSA-N 1 1 445.567 4.333 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCOCC1 ZINC000072380040 556957358 /nfs/dbraw/zinc/95/73/58/556957358.db2.gz KGYVMSNTJPCHEA-HXUWFJFHSA-N 1 1 435.593 4.366 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000072398602 556970220 /nfs/dbraw/zinc/97/02/20/556970220.db2.gz HREILENEUGTJQZ-NLFFAJNJSA-N 1 1 449.595 4.482 40 0 IIABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1ccc(F)c(Cl)c1F)CC2 ZINC000585103782 557036420 /nfs/dbraw/zinc/03/64/20/557036420.db2.gz PTVPPYGBCJAFFH-QGZVFWFLSA-N 1 1 449.929 4.157 40 0 IIABMO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414673 557109925 /nfs/dbraw/zinc/10/99/25/557109925.db2.gz NYFNOLMYHKOVBN-YBWLXYFRSA-N 1 1 432.568 4.121 40 0 IIABMO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000409415159 557110333 /nfs/dbraw/zinc/11/03/33/557110333.db2.gz VSSYIVJWTHVJSH-YGDRIEADSA-N 1 1 432.568 4.121 40 0 IIABMO C[C@@H](c1ccccc1)[N@@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CCN(C)CC1 ZINC000057774291 557264121 /nfs/dbraw/zinc/26/41/21/557264121.db2.gz YJNJROXHIONBDN-QFIPXVFZSA-N 1 1 446.639 4.052 40 0 IIABMO C[C@@H](c1ccccc1)N(CCN1CCN2CCCc3cccc(c32)C1=O)C1CC[NH+](C)CC1 ZINC000057774291 557264124 /nfs/dbraw/zinc/26/41/24/557264124.db2.gz YJNJROXHIONBDN-QFIPXVFZSA-N 1 1 446.639 4.052 40 0 IIABMO COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928551 557271555 /nfs/dbraw/zinc/27/15/55/557271555.db2.gz JRJNFJBYCFVRBF-VWLOTQADSA-N 1 1 446.599 4.094 40 0 IIABMO CC(C)CC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000017096098 557487828 /nfs/dbraw/zinc/48/78/28/557487828.db2.gz GGVWBHQIZGVJES-UHFFFAOYSA-N 1 1 428.577 4.007 40 0 IIABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000017103008 557491489 /nfs/dbraw/zinc/49/14/89/557491489.db2.gz MQTNUQJXVIRUEL-UHFFFAOYSA-N 1 1 438.984 4.372 40 0 IIABMO COc1cccc(OCc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2OC)c1 ZINC000224257413 557581793 /nfs/dbraw/zinc/58/17/93/557581793.db2.gz WDBMWBQSBWIFSK-UHFFFAOYSA-N 1 1 446.547 4.241 40 0 IIABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COCc1ccccc1 ZINC000224354799 557597207 /nfs/dbraw/zinc/59/72/07/557597207.db2.gz KJKGDRKIZHGHSB-UHFFFAOYSA-N 1 1 430.548 4.370 40 0 IIABMO COCc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000224400837 557602060 /nfs/dbraw/zinc/60/20/60/557602060.db2.gz CCCCAAQGGOQHCB-UHFFFAOYSA-N 1 1 430.548 4.389 40 0 IIABMO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225018505 557678652 /nfs/dbraw/zinc/67/86/52/557678652.db2.gz NFXUFUHCCHIWML-UHFFFAOYSA-N 1 1 431.939 4.166 40 0 IIABMO CCOC(=O)c1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)ccc1Cl ZINC000225458261 557725099 /nfs/dbraw/zinc/72/50/99/557725099.db2.gz RDNKHAXYZLVZOW-UHFFFAOYSA-N 1 1 428.945 4.497 40 0 IIABMO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OC ZINC000225589162 557748404 /nfs/dbraw/zinc/74/84/04/557748404.db2.gz QQOLCKRETXYBRN-UHFFFAOYSA-N 1 1 434.939 4.367 40 0 IIABMO Cc1ccccc1-c1noc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)n1 ZINC000225590353 557748708 /nfs/dbraw/zinc/74/87/08/557748708.db2.gz YQPIXCAZNLIDQK-UHFFFAOYSA-N 1 1 442.922 4.366 40 0 IIABMO Cc1cnn(CCOc2ccc(C[N@H+]3CCC[C@@](O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585274637 568618719 /nfs/dbraw/zinc/61/87/19/568618719.db2.gz XVZFANVFFFPHCV-MHZLTWQESA-N 1 1 449.595 4.375 40 0 IIABMO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257201781 568666173 /nfs/dbraw/zinc/66/61/73/568666173.db2.gz AJASLVMRGAKAPB-OAQYLSRUSA-N 1 1 437.613 4.264 40 0 IIABMO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257201781 568666174 /nfs/dbraw/zinc/66/61/74/568666174.db2.gz AJASLVMRGAKAPB-OAQYLSRUSA-N 1 1 437.613 4.264 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257209461 568669357 /nfs/dbraw/zinc/66/93/57/568669357.db2.gz BQMFODAEJYESJO-JOCHJYFZSA-N 1 1 440.547 4.119 40 0 IIABMO NC(=O)C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257234485 568680980 /nfs/dbraw/zinc/68/09/80/568680980.db2.gz GTRRUCIVBQLKPD-DHIUTWEWSA-N 1 1 442.003 4.223 40 0 IIABMO NC(=O)CN1CCCC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257234485 568680984 /nfs/dbraw/zinc/68/09/84/568680984.db2.gz GTRRUCIVBQLKPD-DHIUTWEWSA-N 1 1 442.003 4.223 40 0 IIABMO NC(=O)CN1CCCC[C@@H]2[C@H]1CCC[N@H+]2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257234485 568680986 /nfs/dbraw/zinc/68/09/86/568680986.db2.gz GTRRUCIVBQLKPD-DHIUTWEWSA-N 1 1 442.003 4.223 40 0 IIABMO COc1c(C)cccc1C(=O)N1CCO[C@H](c2cc(Nc3nc(C)cs3)cc(C)[nH+]2)C1 ZINC000257234223 568681130 /nfs/dbraw/zinc/68/11/30/568681130.db2.gz GSRINAMFNBKVBA-FQEVSTJZSA-N 1 1 438.553 4.429 40 0 IIABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)c2)s1 ZINC000257251151 568688973 /nfs/dbraw/zinc/68/89/73/568688973.db2.gz JPPXHJRAPQOTJC-FQEVSTJZSA-N 1 1 448.552 4.068 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257253419 568690074 /nfs/dbraw/zinc/69/00/74/568690074.db2.gz JYXKMBAGAOLUNE-IBGZPJMESA-N 1 1 446.576 4.210 40 0 IIABMO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2cn(C)cn2)CC1 ZINC000257254014 568690402 /nfs/dbraw/zinc/69/04/02/568690402.db2.gz KBFYKRWAWRLQRS-UHFFFAOYSA-N 1 1 446.595 4.130 40 0 IIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]2c2ccccc2)CC1 ZINC000257286561 568705044 /nfs/dbraw/zinc/70/50/44/568705044.db2.gz PMAGMKVUCKSPAF-FQEVSTJZSA-N 1 1 430.951 4.334 40 0 IIABMO CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)[nH+]3)C2)o1 ZINC000257300076 568711426 /nfs/dbraw/zinc/71/14/26/568711426.db2.gz RSUCLFMKRZVXCX-SFHVURJKSA-N 1 1 441.557 4.279 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126620 568764403 /nfs/dbraw/zinc/76/44/03/568764403.db2.gz FALVMFQRJFZAAN-BVAGGSTKSA-N 1 1 447.558 4.016 40 0 IIABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCc3cccnc3)n2)o1 ZINC000247877533 569206316 /nfs/dbraw/zinc/20/63/16/569206316.db2.gz BAPYSICWELXKOR-FGZHOGPDSA-N 1 1 441.535 4.474 40 0 IIABMO C[N@@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(Cc2ccncc2)CC1 ZINC000248126674 569207110 /nfs/dbraw/zinc/20/71/10/569207110.db2.gz LYCQLEGBIQIYBV-KNQAVFIVSA-N 1 1 446.517 4.271 40 0 IIABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(Cc2ccncc2)CC1 ZINC000248126674 569207112 /nfs/dbraw/zinc/20/71/12/569207112.db2.gz LYCQLEGBIQIYBV-KNQAVFIVSA-N 1 1 446.517 4.271 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000248156537 569207400 /nfs/dbraw/zinc/20/74/00/569207400.db2.gz VXNUDOAHEVKNRV-LRXVAGHRSA-N 1 1 443.538 4.144 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000019565042 569226958 /nfs/dbraw/zinc/22/69/58/569226958.db2.gz FAPFMKBZDUMDCB-HFZDXXHNSA-N 1 1 445.563 4.482 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000019587543 569227178 /nfs/dbraw/zinc/22/71/78/569227178.db2.gz VXNUDOAHEVKNRV-JUXOCIIHSA-N 1 1 443.538 4.144 40 0 IIABMO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)ccc1OCC(N)=O ZINC000019691929 569227804 /nfs/dbraw/zinc/22/78/04/569227804.db2.gz BKGHCMGZAQGRGK-XMMPIXPASA-N 1 1 445.563 4.191 40 0 IIABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CC[N@@H+](Cc3cnc(C(C)C)nc3)C2)c1 ZINC000019695063 569229534 /nfs/dbraw/zinc/22/95/34/569229534.db2.gz GNDQUTRNFSXBKA-FQEVSTJZSA-N 1 1 432.572 4.121 40 0 IIABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@@H+](Cc3cnc(C(C)C)nc3)C2)c1 ZINC000019695062 569229554 /nfs/dbraw/zinc/22/95/54/569229554.db2.gz GNDQUTRNFSXBKA-HXUWFJFHSA-N 1 1 432.572 4.121 40 0 IIABMO COc1ccc(OCc2sc([C@]3(O)CCC[N@@H+](CC4=CCCOC4)CC3)nc2C)cc1 ZINC000019705373 569234154 /nfs/dbraw/zinc/23/41/54/569234154.db2.gz JWYSFIMQURNGGB-DEOSSOPVSA-N 1 1 444.597 4.059 40 0 IIABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000019692667 569326405 /nfs/dbraw/zinc/32/64/05/569326405.db2.gz TXGYLNIWDVHEHN-XMMPIXPASA-N 1 1 443.526 4.470 40 0 IIABMO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000019692667 569326407 /nfs/dbraw/zinc/32/64/07/569326407.db2.gz TXGYLNIWDVHEHN-XMMPIXPASA-N 1 1 443.526 4.470 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763477 569328857 /nfs/dbraw/zinc/32/88/57/569328857.db2.gz JNUXRQPOUFBZGE-OAQYLSRUSA-N 1 1 448.542 4.113 40 0 IIABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000020503520 519707929 /nfs/dbraw/zinc/70/79/29/519707929.db2.gz MBROWBMTZMHKPK-PZJWPPBQSA-N 1 1 431.511 4.232 40 0 biogenic,in-vitro IIABMO O=C(C[NH+]1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1)NCc1ccccc1 ZINC000012644311 526727499 /nfs/dbraw/zinc/72/74/99/526727499.db2.gz UNCBZXSXOCAZFA-UHFFFAOYSA-N 1 1 442.563 4.256 40 0 IIABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc2nsnc2c1 ZINC000020495077 527227240 /nfs/dbraw/zinc/22/72/40/527227240.db2.gz LFPNRLOQAIYHDW-UHFFFAOYSA-N 1 1 447.539 4.405 40 0 IIABMO COc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1Br ZINC000408603225 555972174 /nfs/dbraw/zinc/97/21/74/555972174.db2.gz BPDRMDGNFQPQGK-UHFFFAOYSA-N 1 1 429.358 4.121 40 0 IIABMO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000015890195 556561627 /nfs/dbraw/zinc/56/16/27/556561627.db2.gz CLZGAJRSBRUMBT-HXUWFJFHSA-N 1 1 430.976 4.270 40 0 IIABMO CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1 ZINC000016161529 556586378 /nfs/dbraw/zinc/58/63/78/556586378.db2.gz GXGPXUKLSBXFSK-UHFFFAOYSA-N 1 1 431.005 4.171 40 0 IIABMO COc1cc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000036370640 556597549 /nfs/dbraw/zinc/59/75/49/556597549.db2.gz SMDGYUXIZWCCHF-LMDNVDAOSA-N 1 1 441.524 4.414 40 0 IIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000016681571 556624125 /nfs/dbraw/zinc/62/41/25/556624125.db2.gz DBOXKCCWVZPMTL-UHFFFAOYSA-N 1 1 437.396 4.262 40 0 IIABMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038857188 556626137 /nfs/dbraw/zinc/62/61/37/556626137.db2.gz JYNPBSKIFDBRPP-FQEVSTJZSA-N 1 1 429.967 4.348 40 0 IIABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1C ZINC000038858198 556626162 /nfs/dbraw/zinc/62/61/62/556626162.db2.gz TYGIUKKAPAYMGL-UHFFFAOYSA-N 1 1 445.357 4.395 40 0 IIABMO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044786536 556667529 /nfs/dbraw/zinc/66/75/29/556667529.db2.gz YJVWBKGUKZAKGL-UHFFFAOYSA-N 1 1 437.403 4.304 40 0 IIABMO O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044938372 556682934 /nfs/dbraw/zinc/68/29/34/556682934.db2.gz CKUYDUWDCMRPDT-UHFFFAOYSA-N 1 1 429.923 4.457 40 0 IIABMO CN(C)CC(C)(C)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019083894 556698264 /nfs/dbraw/zinc/69/82/64/556698264.db2.gz VBGFQZGPGIBXEB-KSZLIROESA-N 1 1 425.612 4.471 40 0 IIABMO CN(C)CC(C)(C)C[N@H+]1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019083894 556698266 /nfs/dbraw/zinc/69/82/66/556698266.db2.gz VBGFQZGPGIBXEB-KSZLIROESA-N 1 1 425.612 4.471 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCOC[C@H](Cc3cccc4ccncc43)C2)c1 ZINC000257322481 556704580 /nfs/dbraw/zinc/70/45/80/556704580.db2.gz WGDQWFTYTDWEGY-JOCHJYFZSA-N 1 1 440.547 4.119 40 0 IIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133983 556705431 /nfs/dbraw/zinc/70/54/31/556705431.db2.gz HQVHPDKQPZIJTF-OAQYLSRUSA-N 1 1 446.599 4.174 40 0 IIABMO COc1ccccc1-c1cccc(C[N@H+]2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257342573 556707510 /nfs/dbraw/zinc/70/75/10/556707510.db2.gz ZPHCTKUFTCEMPC-OAQYLSRUSA-N 1 1 428.536 4.096 40 0 IIABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000257242600 556710685 /nfs/dbraw/zinc/71/06/85/556710685.db2.gz IDGVSHNPVOTVHE-HHHXNRCGSA-N 1 1 429.564 4.283 40 0 IIABMO COc1cccc(-c2cccc(CC3(C(=O)NC[C@@H]4CCC[N@@H+](C)C4)CCOCC3)c2)c1 ZINC000257311754 556718424 /nfs/dbraw/zinc/71/84/24/556718424.db2.gz UKVTYUBLAZYSCK-QFIPXVFZSA-N 1 1 436.596 4.160 40 0 IIABMO Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)c1 ZINC000019234759 556719035 /nfs/dbraw/zinc/71/90/35/556719035.db2.gz CVTGEJFOWRTGBO-XMMPIXPASA-N 1 1 448.611 4.478 40 0 IIABMO O=C(Cc1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019343219 556741139 /nfs/dbraw/zinc/74/11/39/556741139.db2.gz VKXYWTTWDUWZFC-NRFANRHFSA-N 1 1 440.613 4.231 40 0 IIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccnc2)N1 ZINC000019349461 556744360 /nfs/dbraw/zinc/74/43/60/556744360.db2.gz VQOHAERGRLGHBA-RPLLCQBOSA-N 1 1 442.563 4.084 40 0 IIABMO COc1cccc(OC)c1C[NH2+][C@H](c1cc(=O)n2nc(-c3cccnc3)cc2[nH]1)C(C)C ZINC000019445511 556755892 /nfs/dbraw/zinc/75/58/92/556755892.db2.gz ZLNDNRKAJRNFGS-DEOSSOPVSA-N 1 1 433.512 4.001 40 0 IIABMO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019447340 556756700 /nfs/dbraw/zinc/75/67/00/556756700.db2.gz UFAJGKVXDJKOHU-MHZLTWQESA-N 1 1 428.580 4.351 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3onc4c3C[C@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000019497161 556769442 /nfs/dbraw/zinc/76/94/42/556769442.db2.gz DZIGMEBTHRYYKN-TZIWHRDSSA-N 1 1 439.600 4.020 40 0 IIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500920 556772575 /nfs/dbraw/zinc/77/25/75/556772575.db2.gz BLAIEIVAYDMUCD-MDZRGWNJSA-N 1 1 435.494 4.317 40 0 IIABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccccc4C)C3)cc2N1 ZINC000019500920 556772579 /nfs/dbraw/zinc/77/25/79/556772579.db2.gz BLAIEIVAYDMUCD-MDZRGWNJSA-N 1 1 435.494 4.317 40 0 IIABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3cn(C)cn3)C2)c2sccn12 ZINC000019523106 556780567 /nfs/dbraw/zinc/78/05/67/556780567.db2.gz OJNJKHZJTAIDBO-KRWDZBQOSA-N 1 1 434.569 4.455 40 0 IIABMO Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccc(Br)cc4)CC3)nc2c1 ZINC000001358937 556785927 /nfs/dbraw/zinc/78/59/27/556785927.db2.gz MICRCDVERGWOHJ-UHFFFAOYSA-N 1 1 427.346 4.452 40 0 IIABMO Cc1ccc2nc(C3CC[NH+](CC(=O)Nc4ccc(Br)cc4)CC3)[nH]c2c1 ZINC000001358937 556785930 /nfs/dbraw/zinc/78/59/30/556785930.db2.gz MICRCDVERGWOHJ-UHFFFAOYSA-N 1 1 427.346 4.452 40 0 IIABMO Cc1c2ccccc2oc1C(=O)N1CCC(O)(C[N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC000019566026 556806463 /nfs/dbraw/zinc/80/64/63/556806463.db2.gz AEQZPKLBMHKWFK-QFIPXVFZSA-N 1 1 433.552 4.331 40 0 IIABMO COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]32)c1 ZINC000019566368 556807033 /nfs/dbraw/zinc/80/70/33/556807033.db2.gz GUCPPRXGBOKKKX-TWJOJJKGSA-N 1 1 427.548 4.221 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 ZINC000019580403 556818498 /nfs/dbraw/zinc/81/84/98/556818498.db2.gz ACGCITHTBDEAGW-HHHXNRCGSA-N 1 1 429.564 4.280 40 0 IIABMO C[N@@H+](CCCc1ccco1)Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1 ZINC000019586090 556822882 /nfs/dbraw/zinc/82/28/82/556822882.db2.gz JVWRHKIXBPEABZ-UHFFFAOYSA-N 1 1 435.572 4.122 40 0 IIABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019690025 556845204 /nfs/dbraw/zinc/84/52/04/556845204.db2.gz AXMMTIGFMGGZRY-HXUWFJFHSA-N 1 1 438.963 4.122 40 0 IIABMO CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000019695245 556851740 /nfs/dbraw/zinc/85/17/40/556851740.db2.gz OTWNOXSHBMESRD-UHFFFAOYSA-N 1 1 430.478 4.331 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695798 556852628 /nfs/dbraw/zinc/85/26/28/556852628.db2.gz NWUKRZBEGDHGKF-OAQYLSRUSA-N 1 1 445.542 4.178 40 0 IIABMO Cc1nc([C@H]2CCC[N@H+]2Cc2cccnc2N(C)C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711146 556875186 /nfs/dbraw/zinc/87/51/86/556875186.db2.gz ZWSHWCZJYJHVHQ-XMMPIXPASA-N 1 1 447.558 4.257 40 0 IIABMO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccnc2N(C)C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711146 556875190 /nfs/dbraw/zinc/87/51/90/556875190.db2.gz ZWSHWCZJYJHVHQ-XMMPIXPASA-N 1 1 447.558 4.257 40 0 IIABMO CNc1cc(C(=O)N2CCC(Cc3cc(NCc4ccccc4F)nc(C)[nH+]3)CC2)ccn1 ZINC000019757697 556901664 /nfs/dbraw/zinc/90/16/64/556901664.db2.gz NOAVOSYFKIZPEQ-UHFFFAOYSA-N 1 1 448.546 4.068 40 0 IIABMO Cc1nc(C2=CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc(N2CCOCC2)c1C ZINC000072339541 556911722 /nfs/dbraw/zinc/91/17/22/556911722.db2.gz KOQPZFYYGLYSIP-UHFFFAOYSA-N 1 1 432.490 4.238 40 0 IIABMO COc1ccc2c(C[N@H+]3CCC[C@@H](c4ccc(Nc5ncccn5)cn4)C3)cn(C)c2c1 ZINC000072353447 556926885 /nfs/dbraw/zinc/92/68/85/556926885.db2.gz GGSMAQIHGLXRMS-GOSISDBHSA-N 1 1 428.540 4.495 40 0 IIABMO Cc1cc(N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)nc(C)[nH+]1 ZINC000072371421 556938748 /nfs/dbraw/zinc/93/87/48/556938748.db2.gz KNAFBIYWZNKHPF-INIZCTEOSA-N 1 1 431.462 4.451 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371745 556940909 /nfs/dbraw/zinc/94/09/09/556940909.db2.gz MWLAKFLDGQUJBF-KRWDZBQOSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371745 556940912 /nfs/dbraw/zinc/94/09/12/556940912.db2.gz MWLAKFLDGQUJBF-KRWDZBQOSA-N 1 1 425.964 4.135 40 0 IIABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371745 556940916 /nfs/dbraw/zinc/94/09/16/556940916.db2.gz MWLAKFLDGQUJBF-KRWDZBQOSA-N 1 1 425.964 4.135 40 0 IIABMO CCn1ccnc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371755 556940951 /nfs/dbraw/zinc/94/09/51/556940951.db2.gz VYHIJSNTVALIBD-INIZCTEOSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1ccnc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371755 556940955 /nfs/dbraw/zinc/94/09/55/556940955.db2.gz VYHIJSNTVALIBD-INIZCTEOSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1ccnc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371755 556940959 /nfs/dbraw/zinc/94/09/59/556940959.db2.gz VYHIJSNTVALIBD-INIZCTEOSA-N 1 1 433.478 4.256 40 0 IIABMO CCn1ccnc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371755 556940962 /nfs/dbraw/zinc/94/09/62/556940962.db2.gz VYHIJSNTVALIBD-INIZCTEOSA-N 1 1 433.478 4.256 40 0 IIABMO Cc1cc(C)nc(Nc2ccc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)nc2)n1 ZINC000072374180 556947454 /nfs/dbraw/zinc/94/74/54/556947454.db2.gz VXMLGIXMUWCXGK-UHFFFAOYSA-N 1 1 434.519 4.189 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1CO ZINC000072375049 556950375 /nfs/dbraw/zinc/95/03/75/556950375.db2.gz WNMAPWFQOCEXBU-FQEVSTJZSA-N 1 1 433.556 4.194 40 0 IIABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2cnc(C)n2C)C1 ZINC000072394073 556965692 /nfs/dbraw/zinc/96/56/92/556965692.db2.gz DZHMNSVQUMSABO-RUZDIDTESA-N 1 1 436.556 4.080 40 0 IIABMO CCOc1ccc(C[N@H+]2C[C@@H](c3cn(C)c4ccc(OC)cc34)[C@H](N(C)C)C2)cc1OC ZINC000072395536 556967326 /nfs/dbraw/zinc/96/73/26/556967326.db2.gz JEEZHOBNRTZVLI-LADGPHEKSA-N 1 1 437.584 4.124 40 0 IIABMO CCOc1ccc(C[N@@H+]2C[C@@H](c3cn(C)c4ccc(OC)cc34)[C@H](N(C)C)C2)cc1OC ZINC000072395536 556967328 /nfs/dbraw/zinc/96/73/28/556967328.db2.gz JEEZHOBNRTZVLI-LADGPHEKSA-N 1 1 437.584 4.124 40 0 IIABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+](Cc4cc5c(cc4C)OCO5)C3)cc2n1 ZINC000072397143 556970045 /nfs/dbraw/zinc/97/00/45/556970045.db2.gz INEXAHQDMGNRCB-HNNXBMFYSA-N 1 1 432.446 4.473 40 0 IIABMO C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104153 557036818 /nfs/dbraw/zinc/03/68/18/557036818.db2.gz JODOVSBUUKNLRL-DFBJGRDBSA-N 1 1 448.592 4.017 40 0 IIABMO Cc1noc(C)c1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C(C)C)Cc1c(-c3ccccc3)ncn12 ZINC000585106711 557040765 /nfs/dbraw/zinc/04/07/65/557040765.db2.gz GKAHYZXKQDLOCF-RUZDIDTESA-N 1 1 433.556 4.010 40 0 IIABMO O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1cccs1 ZINC000585110046 557042563 /nfs/dbraw/zinc/04/25/63/557042563.db2.gz ATQIMSHMHQZXCZ-RTWAWAEBSA-N 1 1 431.561 4.172 40 0 IIABMO O=C(Cc1ccccc1)NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12 ZINC000585110170 557043176 /nfs/dbraw/zinc/04/31/76/557043176.db2.gz RLXXATQGKSVEQK-JWQCQUIFSA-N 1 1 439.559 4.039 40 0 IIABMO Cc1ccccc1C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096145760 557175331 /nfs/dbraw/zinc/17/53/31/557175331.db2.gz BJOOFOXVYAFUCH-VXKWHMMOSA-N 1 1 428.598 4.067 40 0 IIABMO Cc1cnn(CCCOc2cccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271708 557215742 /nfs/dbraw/zinc/21/57/42/557215742.db2.gz NCXRZQOJDBRZOY-AREMUKBSSA-N 1 1 435.568 4.067 40 0 IIABMO O[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)CC1 ZINC000585280771 557220452 /nfs/dbraw/zinc/22/04/52/557220452.db2.gz SILCMHSNILDQOG-AREMUKBSSA-N 1 1 442.575 4.096 40 0 IIABMO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)n2)c1 ZINC000219423166 557244308 /nfs/dbraw/zinc/24/43/08/557244308.db2.gz VLZSWLYZXURRKP-UHFFFAOYSA-N 1 1 442.922 4.366 40 0 IIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501113 557324651 /nfs/dbraw/zinc/32/46/51/557324651.db2.gz JPIQVNCOFSTADM-QFIPXVFZSA-N 1 1 446.555 4.360 40 0 IIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501113 557324655 /nfs/dbraw/zinc/32/46/55/557324655.db2.gz JPIQVNCOFSTADM-QFIPXVFZSA-N 1 1 446.555 4.360 40 0 IIABMO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000224028288 557547337 /nfs/dbraw/zinc/54/73/37/557547337.db2.gz MAJZUEJZLRZQMH-UHFFFAOYSA-N 1 1 445.401 4.473 40 0 IIABMO C[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000224945309 557670105 /nfs/dbraw/zinc/67/01/05/557670105.db2.gz PQSDGYFDVDBUBN-UHFFFAOYSA-N 1 1 426.314 4.159 40 0 IIABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225588247 557748136 /nfs/dbraw/zinc/74/81/36/557748136.db2.gz QRQPXZBLELDLOX-UHFFFAOYSA-N 1 1 443.994 4.256 40 0 IIABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585288046 568619287 /nfs/dbraw/zinc/61/92/87/568619287.db2.gz UXLNYAZRNVSQDB-WATLYSKOSA-N 1 1 434.596 4.013 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257204941 568667621 /nfs/dbraw/zinc/66/76/21/568667621.db2.gz AWYWWHUREXNOIY-OAQYLSRUSA-N 1 1 436.600 4.083 40 0 IIABMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc(C)cc(Nc3ccc(F)cn3)n2)CC1 ZINC000257211317 568670475 /nfs/dbraw/zinc/67/04/75/568670475.db2.gz BYLHIFLYWQJAKU-UHFFFAOYSA-N 1 1 448.546 4.443 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257250002 568688787 /nfs/dbraw/zinc/68/87/87/568688787.db2.gz JKOVSXISKMEJLD-HXUWFJFHSA-N 1 1 433.531 4.188 40 0 IIABMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1Cl ZINC000257284547 568704194 /nfs/dbraw/zinc/70/41/94/568704194.db2.gz PDCDWTPRPOBDME-LADGPHEKSA-N 1 1 444.959 4.127 40 0 IIABMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1Cl ZINC000257284547 568704197 /nfs/dbraw/zinc/70/41/97/568704197.db2.gz PDCDWTPRPOBDME-LADGPHEKSA-N 1 1 444.959 4.127 40 0 IIABMO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c(C)c1C ZINC000257309092 568715008 /nfs/dbraw/zinc/71/50/08/568715008.db2.gz TZMYHYOYDYVTMI-QHCPKHFHSA-N 1 1 435.572 4.374 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c(C)c1C ZINC000257309092 568715011 /nfs/dbraw/zinc/71/50/11/568715011.db2.gz TZMYHYOYDYVTMI-QHCPKHFHSA-N 1 1 435.572 4.374 40 0 IIABMO Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)CCn3cc[nH+]c3C(C)C)n2)nc1 ZINC000257336344 568727165 /nfs/dbraw/zinc/72/71/65/568727165.db2.gz YOAJHJNCRSQXPK-OAQYLSRUSA-N 1 1 446.555 4.111 40 0 IIABMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)c1C ZINC000257344393 568730402 /nfs/dbraw/zinc/73/04/02/568730402.db2.gz ZXANZRRTPQCZKS-FQEVSTJZSA-N 1 1 434.588 4.041 40 0 IIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1OC ZINC000306129393 568765629 /nfs/dbraw/zinc/76/56/29/568765629.db2.gz IBVUJMWXVRLBQE-FQEVSTJZSA-N 1 1 429.524 4.188 40 0 IIABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306130528 568766188 /nfs/dbraw/zinc/76/61/88/568766188.db2.gz JIXJFMVXUNTGMK-RSXGOPAZSA-N 1 1 447.966 4.132 40 0 IIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1 ZINC000306134662 568768627 /nfs/dbraw/zinc/76/86/27/568768627.db2.gz NUWNNXLQIMMGBH-LJQANCHMSA-N 1 1 434.519 4.140 40 0 IIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5nccs5)C4)nn3c2)c1OC ZINC000306143735 568773417 /nfs/dbraw/zinc/77/34/17/568773417.db2.gz YLBLQVPNPHZLJI-KRWDZBQOSA-N 1 1 435.553 4.250 40 0 IIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5nccs5)C4)nn3c2)c1OC ZINC000306143735 568773418 /nfs/dbraw/zinc/77/34/18/568773418.db2.gz YLBLQVPNPHZLJI-KRWDZBQOSA-N 1 1 435.553 4.250 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000328961099 568807699 /nfs/dbraw/zinc/80/76/99/568807699.db2.gz BBRUXQUUIIYRFB-SFHVURJKSA-N 1 1 436.478 4.244 40 0 IIABMO CC(C)[C@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000328961099 568807701 /nfs/dbraw/zinc/80/77/01/568807701.db2.gz BBRUXQUUIIYRFB-SFHVURJKSA-N 1 1 436.478 4.244 40 0 IIABMO COc1ccc2c(ccn2CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c1 ZINC000257198757 568921640 /nfs/dbraw/zinc/92/16/40/568921640.db2.gz HYOQKVKXBAYWJG-FVBVUHMPSA-N 1 1 433.596 4.462 40 0 IIABMO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198806 568921707 /nfs/dbraw/zinc/92/17/07/568921707.db2.gz IXXDWTWTRRMKFM-ABALZIDYSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198806 568921708 /nfs/dbraw/zinc/92/17/08/568921708.db2.gz IXXDWTWTRRMKFM-ABALZIDYSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198806 568921709 /nfs/dbraw/zinc/92/17/09/568921709.db2.gz IXXDWTWTRRMKFM-ABALZIDYSA-N 1 1 428.580 4.211 40 0 IIABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236206 569226445 /nfs/dbraw/zinc/22/64/45/569226445.db2.gz TZFTVNCSJOVSCL-CJFMBICVSA-N 1 1 430.552 4.177 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccccn3)CC2)sc1CCOc1ccccc1F ZINC000019696260 569229684 /nfs/dbraw/zinc/22/96/84/569229684.db2.gz NQUVRFUNWPQMJY-XMMPIXPASA-N 1 1 441.572 4.481 40 0 IIABMO COCc1cc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)ccc1OC(C)C ZINC000019702515 569232030 /nfs/dbraw/zinc/23/20/30/569232030.db2.gz KKTHONHBDXXXHJ-QGZVFWFLSA-N 1 1 439.581 4.318 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccccn3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704900 569233758 /nfs/dbraw/zinc/23/37/58/569233758.db2.gz CQQMLRFICJOFOY-XMMPIXPASA-N 1 1 441.572 4.481 40 0 IIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)cc1 ZINC000019765153 569238807 /nfs/dbraw/zinc/23/88/07/569238807.db2.gz QYIFOOQLKQTABV-OAQYLSRUSA-N 1 1 443.551 4.375 40 0 IIABMO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000019687707 569326357 /nfs/dbraw/zinc/32/63/57/569326357.db2.gz QCTXDOPSIFMXST-QHCPKHFHSA-N 1 1 429.568 4.344 40 0 IIABMO O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000005415057 291386183 /nfs/dbraw/zinc/38/61/83/291386183.db2.gz OWWAALGBBYXXSL-DOTOQJQBSA-N 1 1 434.458 4.012 40 0 biogenic,in-vitro IIABMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccccc1F ZINC000022075588 520714896 /nfs/dbraw/zinc/71/48/96/520714896.db2.gz XOSQWHTZWPSURJ-UHFFFAOYSA-N 1 1 425.342 4.217 40 0 IIABMO COc1cccc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020483258 526239388 /nfs/dbraw/zinc/23/93/88/526239388.db2.gz ODSBVINBPVKTPP-OAQYLSRUSA-N 1 1 430.548 4.396 40 0 IIABMO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039761156 556436321 /nfs/dbraw/zinc/43/63/21/556436321.db2.gz KUCCUBRZANIYCG-UHFFFAOYSA-N 1 1 431.939 4.468 40 0 IIABMO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616321 556516475 /nfs/dbraw/zinc/51/64/75/556516475.db2.gz SEDPCYNCHIYANH-UHFFFAOYSA-N 1 1 443.526 4.134 40 0 IIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000030945184 556516973 /nfs/dbraw/zinc/51/69/73/556516973.db2.gz QSAWCUAIRCLQCA-UHFFFAOYSA-N 1 1 428.458 4.221 40 0 IIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1OC ZINC000038834967 556622817 /nfs/dbraw/zinc/62/28/17/556622817.db2.gz BKXFIALYKQEBTQ-UHFFFAOYSA-N 1 1 433.346 4.317 40 0 IIABMO O=C(c1ccc(Cn2ccnc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038858064 556626086 /nfs/dbraw/zinc/62/60/86/556626086.db2.gz ZANBCRLBPMGLSS-UHFFFAOYSA-N 1 1 436.559 4.479 40 0 IIABMO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000044851766 556670665 /nfs/dbraw/zinc/67/06/65/556670665.db2.gz FQJJQSJEUCPYBH-UHFFFAOYSA-N 1 1 448.966 4.457 40 0 IIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(Br)cc1Cl ZINC000044899782 556676672 /nfs/dbraw/zinc/67/66/72/556676672.db2.gz PZLYFSNYTMZNOT-UHFFFAOYSA-N 1 1 434.721 4.292 40 0 IIABMO Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CC[NH+](CC(=O)N4CCCC4)CC3)c12 ZINC000045186896 556685628 /nfs/dbraw/zinc/68/56/28/556685628.db2.gz DNXBHYANJNOVFK-UHFFFAOYSA-N 1 1 439.604 4.019 40 0 IIABMO Cn1nc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1Cl ZINC000257209826 556702349 /nfs/dbraw/zinc/70/23/49/556702349.db2.gz BSAQEGNJWKGWCX-DEOSSOPVSA-N 1 1 425.960 4.311 40 0 IIABMO Cn1nc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1Cl ZINC000257209826 556702352 /nfs/dbraw/zinc/70/23/52/556702352.db2.gz BSAQEGNJWKGWCX-DEOSSOPVSA-N 1 1 425.960 4.311 40 0 IIABMO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccs2)C3)cc1 ZINC000019135408 556705734 /nfs/dbraw/zinc/70/57/34/556705734.db2.gz MZEOLJCUGJAYLX-JOCHJYFZSA-N 1 1 448.592 4.478 40 0 IIABMO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccs2)C3)cc1 ZINC000019135408 556705735 /nfs/dbraw/zinc/70/57/35/556705735.db2.gz MZEOLJCUGJAYLX-JOCHJYFZSA-N 1 1 448.592 4.478 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257220061 556707384 /nfs/dbraw/zinc/70/73/84/556707384.db2.gz DJJFUSWUGQGNNA-QFIPXVFZSA-N 1 1 440.547 4.119 40 0 IIABMO COc1ccccc1-c1cccc(C[N@H+]2CCOC[C@@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257342572 556707523 /nfs/dbraw/zinc/70/75/23/556707523.db2.gz ZPHCTKUFTCEMPC-NRFANRHFSA-N 1 1 428.536 4.096 40 0 IIABMO Fc1ccc(COc2cccc(C[N@H+]3CCOC[C@H](Cc4cn5ccnc5cn4)C3)c2)cc1 ZINC000257228250 556708469 /nfs/dbraw/zinc/70/84/69/556708469.db2.gz FTCBQGZOTHVFBY-JOCHJYFZSA-N 1 1 446.526 4.139 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2cncc3ccccc32)C1 ZINC000257294689 556716689 /nfs/dbraw/zinc/71/66/89/556716689.db2.gz QVHHRCUZNLQBAR-OAQYLSRUSA-N 1 1 440.547 4.119 40 0 IIABMO COCCNc1nc(C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc2ccccc21 ZINC000257301913 556717512 /nfs/dbraw/zinc/71/75/12/556717512.db2.gz SAMWGVWXIFWYHR-UHFFFAOYSA-N 1 1 436.531 4.250 40 0 IIABMO O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343576 556741376 /nfs/dbraw/zinc/74/13/76/556741376.db2.gz DIEPDINKCLUDTF-NRFANRHFSA-N 1 1 440.613 4.024 40 0 IIABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019448947 556759019 /nfs/dbraw/zinc/75/90/19/556759019.db2.gz XRLQRDYCYHBKCE-HHHXNRCGSA-N 1 1 428.580 4.493 40 0 IIABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019448939 556759070 /nfs/dbraw/zinc/75/90/70/556759070.db2.gz CYTXIAYHEJYTFZ-HHHXNRCGSA-N 1 1 428.580 4.493 40 0 IIABMO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C3)cc2N1 ZINC000019451383 556762062 /nfs/dbraw/zinc/76/20/62/556762062.db2.gz CFNNHBJNQZTVQJ-JENIJYKNSA-N 1 1 443.558 4.261 40 0 IIABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4cccs4)[nH]c(=O)c3C2)CC1 ZINC000019496007 556768705 /nfs/dbraw/zinc/76/87/05/556768705.db2.gz VRJOPKXRWFBMKL-RJYAGPCLSA-N 1 1 426.586 4.158 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503271 556774680 /nfs/dbraw/zinc/77/46/80/556774680.db2.gz AZWRFZIDTMEYTA-DEOSSOPVSA-N 1 1 428.580 4.365 40 0 IIABMO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@H+](Cc3nc(C)n4ccccc34)C[C@H]21 ZINC000019520108 556775857 /nfs/dbraw/zinc/77/58/57/556775857.db2.gz BHXAOCKURPNCLV-GBXCKJPGSA-N 1 1 432.568 4.168 40 0 IIABMO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@@H+](Cc3nc(C)n4ccccc34)C[C@H]21 ZINC000019520108 556775860 /nfs/dbraw/zinc/77/58/60/556775860.db2.gz BHXAOCKURPNCLV-GBXCKJPGSA-N 1 1 432.568 4.168 40 0 IIABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)c2sccn12 ZINC000019523105 556780460 /nfs/dbraw/zinc/78/04/60/556780460.db2.gz OJNJKHZJTAIDBO-QGZVFWFLSA-N 1 1 434.569 4.455 40 0 IIABMO CCN1CC[N@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527454 556785793 /nfs/dbraw/zinc/78/57/93/556785793.db2.gz RFYHYVAMWYRQBD-RUZDIDTESA-N 1 1 443.595 4.185 40 0 IIABMO CCN1CC[N@@H+](Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527454 556785797 /nfs/dbraw/zinc/78/57/97/556785797.db2.gz RFYHYVAMWYRQBD-RUZDIDTESA-N 1 1 443.595 4.185 40 0 IIABMO CCOCc1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019531161 556791778 /nfs/dbraw/zinc/79/17/78/556791778.db2.gz DALQUVNYYUNSMU-QFIPXVFZSA-N 1 1 434.540 4.104 40 0 IIABMO CCOCc1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019531161 556791781 /nfs/dbraw/zinc/79/17/81/556791781.db2.gz DALQUVNYYUNSMU-QFIPXVFZSA-N 1 1 434.540 4.104 40 0 IIABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)Cc2ccsc2)c1 ZINC000019552622 556796488 /nfs/dbraw/zinc/79/64/88/556796488.db2.gz DUAQOITVZMZCFM-XZOQPEGZSA-N 1 1 436.577 4.092 40 0 IIABMO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccc(OC)cc4)C3)no2)cc1 ZINC000019555808 556798965 /nfs/dbraw/zinc/79/89/65/556798965.db2.gz RZGGVOXYGOWXSM-HXUWFJFHSA-N 1 1 435.524 4.001 40 0 IIABMO COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@@H]32)cc1 ZINC000019557700 556799841 /nfs/dbraw/zinc/79/98/41/556799841.db2.gz LGJRBQHGTKHBDW-PQNGQFLHSA-N 1 1 426.507 4.200 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccncc1 ZINC000019570560 556810728 /nfs/dbraw/zinc/81/07/28/556810728.db2.gz UEQSRKJMTNFUNU-VABKMULXSA-N 1 1 433.577 4.282 40 0 IIABMO COc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587648 556823598 /nfs/dbraw/zinc/82/35/98/556823598.db2.gz JRHLZFNEQBHRMP-NTKDMRAZSA-N 1 1 443.538 4.144 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019590202 556825279 /nfs/dbraw/zinc/82/52/79/556825279.db2.gz IHYHWYSTQPEZRK-GLDPYIMESA-N 1 1 443.538 4.144 40 0 IIABMO CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019591331 556826531 /nfs/dbraw/zinc/82/65/31/556826531.db2.gz JTZKDCMGGLNUOC-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442407 556835547 /nfs/dbraw/zinc/83/55/47/556835547.db2.gz UHQLXYFYKQIZKQ-DEOSSOPVSA-N 1 1 442.567 4.145 40 0 IIABMO COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)c4noc(C)c4C[NH+](C)C)C3)nc2)c1 ZINC000019690206 556845622 /nfs/dbraw/zinc/84/56/22/556845622.db2.gz JWJAYILJRWYKBI-OAQYLSRUSA-N 1 1 448.567 4.059 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000019694842 556851042 /nfs/dbraw/zinc/85/10/42/556851042.db2.gz FVWWONODGVOKSY-HXUWFJFHSA-N 1 1 433.556 4.349 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000019694842 556851045 /nfs/dbraw/zinc/85/10/45/556851045.db2.gz FVWWONODGVOKSY-HXUWFJFHSA-N 1 1 433.556 4.349 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019695782 556852719 /nfs/dbraw/zinc/85/27/19/556852719.db2.gz SIHIBZUUIXUQOD-HSZRJFAPSA-N 1 1 441.579 4.082 40 0 IIABMO O=C1N[C@]2(COC3(C2)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC3)Nc2ccccc21 ZINC000072325412 556902578 /nfs/dbraw/zinc/90/25/78/556902578.db2.gz SNCATRURHANVKC-JOCHJYFZSA-N 1 1 432.351 4.300 40 0 IIABMO Cc1cc(N2CC[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019761337 556904811 /nfs/dbraw/zinc/90/48/11/556904811.db2.gz HJGPXPHNQJLRSM-MRXNPFEDSA-N 1 1 430.537 4.344 40 0 IIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000072330605 556906755 /nfs/dbraw/zinc/90/67/55/556906755.db2.gz YHUKXGSHORGOJF-COPCDDAFSA-N 1 1 447.501 4.349 40 0 IIABMO Cc1nc([C@H]2CCC[N@H+](Cc3cn(C)c4ccc(F)cc34)C2)ncc1C(=O)N1CCCCC1 ZINC000019763301 556907981 /nfs/dbraw/zinc/90/79/81/556907981.db2.gz OPGWXWRCTPJABL-IBGZPJMESA-N 1 1 449.574 4.422 40 0 IIABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc(OC)c1 ZINC000072352782 556925128 /nfs/dbraw/zinc/92/51/28/556925128.db2.gz ZVBYNJPTZRAAMM-SFHVURJKSA-N 1 1 427.545 4.134 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353124 556925522 /nfs/dbraw/zinc/92/55/22/556925522.db2.gz PZOWETZVVIGNOZ-HSZRJFAPSA-N 1 1 430.556 4.189 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353124 556925524 /nfs/dbraw/zinc/92/55/24/556925524.db2.gz PZOWETZVVIGNOZ-HSZRJFAPSA-N 1 1 430.556 4.189 40 0 IIABMO COc1ccc2c(C[N@H+]3CCC[C@H](c4ccc(Nc5ncccn5)cn4)C3)cn(C)c2c1 ZINC000072353446 556926937 /nfs/dbraw/zinc/92/69/37/556926937.db2.gz GGSMAQIHGLXRMS-SFHVURJKSA-N 1 1 428.540 4.495 40 0 IIABMO Cc1cc(N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)nc(C)[nH+]1 ZINC000072371423 556938665 /nfs/dbraw/zinc/93/86/65/556938665.db2.gz FHWMTYVRTSPPRF-INIZCTEOSA-N 1 1 431.462 4.451 40 0 IIABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000072372518 556942838 /nfs/dbraw/zinc/94/28/38/556942838.db2.gz XNCFODBQBHGQMB-NRFANRHFSA-N 1 1 441.532 4.205 40 0 IIABMO COCc1ccc(OC)c(C[N@H+]2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000072389769 556959849 /nfs/dbraw/zinc/95/98/49/556959849.db2.gz IMGHBSPUVOLNHC-INIZCTEOSA-N 1 1 434.462 4.201 40 0 IIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000409183567 556990447 /nfs/dbraw/zinc/99/04/47/556990447.db2.gz DIIIKOGANJWPKW-UHFFFAOYSA-N 1 1 441.575 4.216 40 0 IIABMO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104150 557036413 /nfs/dbraw/zinc/03/64/13/557036413.db2.gz JODOVSBUUKNLRL-CLOONOSVSA-N 1 1 448.592 4.017 40 0 IIABMO COc1ccc(-c2n[nH]cc2C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000409415157 557110276 /nfs/dbraw/zinc/11/02/76/557110276.db2.gz VSSYIVJWTHVJSH-KAQDMCDHSA-N 1 1 432.568 4.121 40 0 IIABMO CC(C)[NH+]1CCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)CC1 ZINC000096037761 557165179 /nfs/dbraw/zinc/16/51/79/557165179.db2.gz HBNVLMBTROSCRD-UHFFFAOYSA-N 1 1 429.568 4.188 40 0 IIABMO Cc1noc(C)c1COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3c(C)ccc(C)c3C)C2)cc1 ZINC000585268691 557207433 /nfs/dbraw/zinc/20/74/33/557207433.db2.gz QJAAIWUWMDKIHV-DQEYMECFSA-N 1 1 436.552 4.420 40 0 IIABMO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000025540842 557213681 /nfs/dbraw/zinc/21/36/81/557213681.db2.gz LRLXUQCQYHLPOQ-QQFWFLOESA-N 1 1 427.497 4.023 40 0 IIABMO O[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)CC1 ZINC000585280773 557220466 /nfs/dbraw/zinc/22/04/66/557220466.db2.gz SILCMHSNILDQOG-SANMLTNESA-N 1 1 442.575 4.096 40 0 IIABMO O[C@H]1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585282112 557221372 /nfs/dbraw/zinc/22/13/72/557221372.db2.gz HCDKVDLACBULPY-OVFSYLBISA-N 1 1 435.486 4.007 40 0 IIABMO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000219418953 557243842 /nfs/dbraw/zinc/24/38/42/557243842.db2.gz VHZVTCRIFIKBJW-UHFFFAOYSA-N 1 1 427.372 4.007 40 0 IIABMO O=C(C[N@@H+]1CCc2ccccc2C1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000100156417 557244909 /nfs/dbraw/zinc/24/49/09/557244909.db2.gz SDEUJLHQLYEPBV-IZAXUBKRSA-N 1 1 436.581 4.246 40 0 IIABMO O=C(C[N@H+]1CCc2ccccc2C1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000100156417 557244912 /nfs/dbraw/zinc/24/49/12/557244912.db2.gz SDEUJLHQLYEPBV-IZAXUBKRSA-N 1 1 436.581 4.246 40 0 IIABMO CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222601945 557359876 /nfs/dbraw/zinc/35/98/76/557359876.db2.gz AIERIGHJYTTYDN-QGZVFWFLSA-N 1 1 428.533 4.198 40 0 IIABMO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)c1 ZINC000072376855 557389005 /nfs/dbraw/zinc/38/90/05/557389005.db2.gz WMLPHZLSSNYFRR-NRFANRHFSA-N 1 1 435.503 4.039 40 0 IIABMO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)c1 ZINC000072376855 557389009 /nfs/dbraw/zinc/38/90/09/557389009.db2.gz WMLPHZLSSNYFRR-NRFANRHFSA-N 1 1 435.503 4.039 40 0 IIABMO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224543011 557619232 /nfs/dbraw/zinc/61/92/32/557619232.db2.gz DNPLPWZKNYLOFF-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO COc1cccc(OC)c1CCC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225993483 557799573 /nfs/dbraw/zinc/79/95/73/557799573.db2.gz IGUZEFBGLXNNSS-UHFFFAOYSA-N 1 1 427.932 4.456 40 0 IIABMO Cc1cnn(CCOc2cccc(C[N@H+]3CCC[C@](O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585270630 568617083 /nfs/dbraw/zinc/61/70/83/568617083.db2.gz HCZHRQUQASLRBZ-HHHXNRCGSA-N 1 1 449.595 4.375 40 0 IIABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCCn4cccn4)cc3)CC2)cc1 ZINC000585272840 568617992 /nfs/dbraw/zinc/61/79/92/568617992.db2.gz JVMYETLBQMUNKB-MHZLTWQESA-N 1 1 449.595 4.457 40 0 IIABMO Cc1cc(N(C)C)nc([C@]2(C)CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257208175 568668856 /nfs/dbraw/zinc/66/88/56/568668856.db2.gz BLAXTOQFWJIIJC-AREMUKBSSA-N 1 1 431.584 4.379 40 0 IIABMO COc1cccc(C)c1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257244708 568685789 /nfs/dbraw/zinc/68/57/89/568685789.db2.gz IMLBJSPFXJEMLB-UHFFFAOYSA-N 1 1 431.540 4.355 40 0 IIABMO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257247570 568687294 /nfs/dbraw/zinc/68/72/94/568687294.db2.gz IZNQRLNXMSWZIS-LJQANCHMSA-N 1 1 446.555 4.047 40 0 IIABMO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257247570 568687296 /nfs/dbraw/zinc/68/72/96/568687296.db2.gz IZNQRLNXMSWZIS-LJQANCHMSA-N 1 1 446.555 4.047 40 0 IIABMO Cc1cc(N(C)C)nc([C@]2(C)CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257269775 568697539 /nfs/dbraw/zinc/69/75/39/568697539.db2.gz MRIMSSNMSVOZTL-AREMUKBSSA-N 1 1 431.584 4.379 40 0 IIABMO COCc1ccc(C(=O)N2CCO[C@H](c3cc(Nc4ncc(C)s4)cc(C)[nH+]3)C2)cc1 ZINC000257272660 568698800 /nfs/dbraw/zinc/69/88/00/568698800.db2.gz NDIUUJAURFVZBU-NRFANRHFSA-N 1 1 438.553 4.259 40 0 IIABMO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257277267 568700763 /nfs/dbraw/zinc/70/07/63/568700763.db2.gz NXDPAZLFFHSDJZ-XMMPIXPASA-N 1 1 427.495 4.202 40 0 IIABMO Cc1ccccc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257277267 568700767 /nfs/dbraw/zinc/70/07/67/568700767.db2.gz NXDPAZLFFHSDJZ-XMMPIXPASA-N 1 1 427.495 4.202 40 0 IIABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)cc1 ZINC000257294956 568708846 /nfs/dbraw/zinc/70/88/46/568708846.db2.gz QWKKHBLPVHOPDE-HXUWFJFHSA-N 1 1 448.542 4.412 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(O)c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257306734 568714040 /nfs/dbraw/zinc/71/40/40/568714040.db2.gz SVPLJRIKUQAQCG-DEOSSOPVSA-N 1 1 429.564 4.367 40 0 IIABMO CCCN1CC[N@@H+](Cc2cccc(O)c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257306735 568714098 /nfs/dbraw/zinc/71/40/98/568714098.db2.gz SVPLJRIKUQAQCG-XMMPIXPASA-N 1 1 429.564 4.367 40 0 IIABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000257314754 568717621 /nfs/dbraw/zinc/71/76/21/568717621.db2.gz UYHVVUQUZDMBIG-LJQANCHMSA-N 1 1 449.624 4.248 40 0 IIABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(CC(=O)Nc4cc(C)on4)C3)c2)n1 ZINC000257323042 568721364 /nfs/dbraw/zinc/72/13/64/568721364.db2.gz WINJVJKPQNJUAO-INIZCTEOSA-N 1 1 426.546 4.013 40 0 IIABMO COCCc1ncc(C[N@H+]2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)cn1 ZINC000257345058 568730805 /nfs/dbraw/zinc/73/08/05/568730805.db2.gz ZZTUCSGSNYXDQO-LJQANCHMSA-N 1 1 438.601 4.175 40 0 IIABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(CCN(CCc4ccccc4)C3=O)C2)cc1 ZINC000306133290 568767705 /nfs/dbraw/zinc/76/77/05/568767705.db2.gz MHQZJPCQMZSRLV-XCZPVHLTSA-N 1 1 441.575 4.151 40 0 IIABMO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4ccc(C)s4)CCN3C)nnn2c1 ZINC000306133996 568768239 /nfs/dbraw/zinc/76/82/39/568768239.db2.gz NBIZKLZRWYQCCY-JOCHJYFZSA-N 1 1 433.581 4.264 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000328961098 568807805 /nfs/dbraw/zinc/80/78/05/568807805.db2.gz BBRUXQUUIIYRFB-GOSISDBHSA-N 1 1 436.478 4.244 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000328961098 568807806 /nfs/dbraw/zinc/80/78/06/568807806.db2.gz BBRUXQUUIIYRFB-GOSISDBHSA-N 1 1 436.478 4.244 40 0 IIABMO CC(C)[C@@H](CO)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328971300 568808087 /nfs/dbraw/zinc/80/80/87/568808087.db2.gz DQBLGSVBJWIKAK-LJQANCHMSA-N 1 1 431.378 4.108 40 0 IIABMO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198809 568921643 /nfs/dbraw/zinc/92/16/43/568921643.db2.gz IXXDWTWTRRMKFM-XOKJFZFGSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198809 568921645 /nfs/dbraw/zinc/92/16/45/568921645.db2.gz IXXDWTWTRRMKFM-XOKJFZFGSA-N 1 1 428.580 4.211 40 0 IIABMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198809 568921646 /nfs/dbraw/zinc/92/16/46/568921646.db2.gz IXXDWTWTRRMKFM-XOKJFZFGSA-N 1 1 428.580 4.211 40 0 IIABMO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198983 568921696 /nfs/dbraw/zinc/92/16/96/568921696.db2.gz NYFNOLMYHKOVBN-AJDBGRLRSA-N 1 1 432.568 4.121 40 0 IIABMO COCCn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc2ccccc21 ZINC000257198528 568921703 /nfs/dbraw/zinc/92/17/03/568921703.db2.gz BKDVITVGXLIYEZ-DUOVIKOCSA-N 1 1 433.596 4.323 40 0 IIABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000012157803 569224831 /nfs/dbraw/zinc/22/48/31/569224831.db2.gz HPDFJXXPPNBDQC-BJPOTMLSSA-N 1 1 448.592 4.443 40 0 IIABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000019567298 569226930 /nfs/dbraw/zinc/22/69/30/569226930.db2.gz CIHJJHNMJQTKQT-QFQXNSOFSA-N 1 1 444.579 4.485 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000019565038 569227026 /nfs/dbraw/zinc/22/70/26/569227026.db2.gz FAPFMKBZDUMDCB-QFQXNSOFSA-N 1 1 445.563 4.482 40 0 IIABMO COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CCN(Cc4cccc(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587682 569227191 /nfs/dbraw/zinc/22/71/91/569227191.db2.gz VBBJXKKVJZYQLL-YKSBVNFPSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CCN(Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587682 569227192 /nfs/dbraw/zinc/22/71/92/569227192.db2.gz VBBJXKKVJZYQLL-YKSBVNFPSA-N 1 1 425.548 4.005 40 0 IIABMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)ccc1OCC(N)=O ZINC000019691930 569227840 /nfs/dbraw/zinc/22/78/40/569227840.db2.gz BKGHCMGZAQGRGK-DEOSSOPVSA-N 1 1 445.563 4.191 40 0 IIABMO Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCC[N@H+]3Cc3ccccn3)on2)cc1 ZINC000019696506 569229800 /nfs/dbraw/zinc/22/98/00/569229800.db2.gz PFYICMJICFQLJV-SANMLTNESA-N 1 1 432.568 4.395 40 0 IIABMO Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCC[N@H+]3Cc3ccncc3)on2)cc1 ZINC000019696504 569229819 /nfs/dbraw/zinc/22/98/19/569229819.db2.gz KPVPCPASNRDWIQ-SANMLTNESA-N 1 1 432.568 4.395 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000019702130 569231803 /nfs/dbraw/zinc/23/18/03/569231803.db2.gz WQEHPWCRDYPHRW-SFHVURJKSA-N 1 1 446.576 4.210 40 0 IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000009304862 569295245 /nfs/dbraw/zinc/29/52/45/569295245.db2.gz ZXXBAAIJVVBJMR-RZFJZAQRSA-N 1 1 438.568 4.319 40 0 IIABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000009304862 569295246 /nfs/dbraw/zinc/29/52/46/569295246.db2.gz ZXXBAAIJVVBJMR-RZFJZAQRSA-N 1 1 438.568 4.319 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@H]3CC[N@@H+](Cc4cccc(C)c4)C3)nc2C)c1 ZINC000019758091 569328750 /nfs/dbraw/zinc/32/87/50/569328750.db2.gz AHVSPTDNJODFMZ-QFIPXVFZSA-N 1 1 430.552 4.022 40 0 IIABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)nc2C)c1 ZINC000019763357 569328922 /nfs/dbraw/zinc/32/89/22/569328922.db2.gz RRYDXOLAAUKVAX-NRFANRHFSA-N 1 1 448.542 4.242 40 0 IIABMO CC[NH+](CC)Cc1nc(C2(O)CCN(Cc3ccccc3C(F)(F)F)CC2)cs1 ZINC000225463368 291381402 /nfs/dbraw/zinc/38/14/02/291381402.db2.gz AFYNJVZQSBUHKF-UHFFFAOYSA-N 1 1 427.536 4.487 40 0 biogenic,in-vitro IIABMO CCN(CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cs1 ZINC000225463368 291381404 /nfs/dbraw/zinc/38/14/04/291381404.db2.gz AFYNJVZQSBUHKF-UHFFFAOYSA-N 1 1 427.536 4.487 40 0 biogenic,in-vitro IIABMO COc1ccc(-c2cc(CC3([NH2+]Cc4ccc(OC(F)(F)F)cc4)COC3)no2)cc1 ZINC000072321948 291382945 /nfs/dbraw/zinc/38/29/45/291382945.db2.gz MEYKIKCOVFSHMK-UHFFFAOYSA-N 1 1 434.414 4.350 40 0 biogenic,in-vitro IIABMO CC[NH+]1CCN(C(=S)c2cccc(OC)c2OCc2ccc(Br)cc2)CC1 ZINC000408577192 555927589 /nfs/dbraw/zinc/92/75/89/555927589.db2.gz RUDFICLHMPCFJF-UHFFFAOYSA-N 1 1 449.414 4.350 40 0 IIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612370 556535030 /nfs/dbraw/zinc/53/50/30/556535030.db2.gz OHIVQXQBIUZTQW-QFIPXVFZSA-N 1 1 443.613 4.180 40 0 IIABMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038848941 556624099 /nfs/dbraw/zinc/62/40/99/556624099.db2.gz BPTUSYXHYDTXGW-UHFFFAOYSA-N 1 1 431.374 4.029 40 0 IIABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200818 556701021 /nfs/dbraw/zinc/70/10/21/556701021.db2.gz AFADXZVPNWQIDU-VPUSJEBWSA-N 1 1 434.580 4.344 40 0 IIABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200818 556701024 /nfs/dbraw/zinc/70/10/24/556701024.db2.gz AFADXZVPNWQIDU-VPUSJEBWSA-N 1 1 434.580 4.344 40 0 IIABMO Cn1nc([C@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257214294 556702606 /nfs/dbraw/zinc/70/26/06/556702606.db2.gz CLLZAAJQJZIGCI-RUZDIDTESA-N 1 1 446.526 4.302 40 0 IIABMO Cn1nc([C@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257214294 556702608 /nfs/dbraw/zinc/70/26/08/556702608.db2.gz CLLZAAJQJZIGCI-RUZDIDTESA-N 1 1 446.526 4.302 40 0 IIABMO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CCCO2)c1 ZINC000257218452 556703559 /nfs/dbraw/zinc/70/35/59/556703559.db2.gz DDFGDFAMEXDXDS-KDYSTLNUSA-N 1 1 436.596 4.445 40 0 IIABMO Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cc1 ZINC000019135714 556706165 /nfs/dbraw/zinc/70/61/65/556706165.db2.gz CIMBPVAKFYYFRJ-PZJWPPBQSA-N 1 1 448.611 4.301 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000257233057 556709418 /nfs/dbraw/zinc/70/94/18/556709418.db2.gz GNNSVMFMTXJQBU-QHCPKHFHSA-N 1 1 431.536 4.083 40 0 IIABMO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@@H+](CCc2ccccc2)Cc2cccs2)C1 ZINC000257251717 556711638 /nfs/dbraw/zinc/71/16/38/556711638.db2.gz JRWWTRRJHFYPNE-ZEQRLZLVSA-N 1 1 436.577 4.175 40 0 IIABMO COc1ccc(OCCc2cc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)cc1 ZINC000257250549 556711667 /nfs/dbraw/zinc/71/16/67/556711667.db2.gz JMYYPFZJTBMHSN-AREMUKBSSA-N 1 1 444.535 4.162 40 0 IIABMO COc1ccc(OCCc2cc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)cc1 ZINC000257250549 556711669 /nfs/dbraw/zinc/71/16/69/556711669.db2.gz JMYYPFZJTBMHSN-AREMUKBSSA-N 1 1 444.535 4.162 40 0 IIABMO COc1ccc(OCCc2cc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)cc1 ZINC000257250550 556711748 /nfs/dbraw/zinc/71/17/48/556711748.db2.gz JMYYPFZJTBMHSN-SANMLTNESA-N 1 1 444.535 4.162 40 0 IIABMO COc1ccc(OCCc2cc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)[nH]n2)cc1 ZINC000257250550 556711750 /nfs/dbraw/zinc/71/17/50/556711750.db2.gz JMYYPFZJTBMHSN-SANMLTNESA-N 1 1 444.535 4.162 40 0 IIABMO COc1ccccc1-c1cccc(CC2(C(=O)NCC[C@H]3CCC[N@H+]3C)CCOCC2)c1 ZINC000257273380 556714176 /nfs/dbraw/zinc/71/41/76/556714176.db2.gz NGIFHLWEGAYQNV-HSZRJFAPSA-N 1 1 436.596 4.302 40 0 IIABMO Cc1ccsc1C[N@H+](C)Cc1c2cc(C)cn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019238565 556723889 /nfs/dbraw/zinc/72/38/89/556723889.db2.gz LXCMFVXSWSLMAK-UHFFFAOYSA-N 1 1 438.519 4.405 40 0 IIABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019448941 556759119 /nfs/dbraw/zinc/75/91/19/556759119.db2.gz CYTXIAYHEJYTFZ-MHZLTWQESA-N 1 1 428.580 4.493 40 0 IIABMO CCN1CC[N@@H+](Cc2cccc(OC)c2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527756 556787377 /nfs/dbraw/zinc/78/73/77/556787377.db2.gz MMHXYBAXDHILFD-XMMPIXPASA-N 1 1 429.564 4.280 40 0 IIABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019529133 556790616 /nfs/dbraw/zinc/79/06/16/556790616.db2.gz OTLAUKOSDNAGCL-MHZLTWQESA-N 1 1 429.564 4.328 40 0 IIABMO CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)ccc1OC ZINC000019532129 556792609 /nfs/dbraw/zinc/79/26/09/556792609.db2.gz HQMPUMFCAUOZRI-VQTJNVASSA-N 1 1 437.515 4.008 40 0 IIABMO Cc1c(C[N@@H+]2CCC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)cnn1C ZINC000019553621 556797223 /nfs/dbraw/zinc/79/72/23/556797223.db2.gz ZUFACYUYBUFDQQ-MHZLTWQESA-N 1 1 445.611 4.140 40 0 IIABMO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)no2)cc1 ZINC000019555826 556799128 /nfs/dbraw/zinc/79/91/28/556799128.db2.gz PWPICUNPOMGEAQ-HXUWFJFHSA-N 1 1 435.524 4.001 40 0 IIABMO Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019566161 556806927 /nfs/dbraw/zinc/80/69/27/556806927.db2.gz VUOVYLDPZMZMKW-HXUWFJFHSA-N 1 1 434.540 4.371 40 0 IIABMO COc1ccc(NC(=O)[C@H]2C[C@H](C3CCN(Cc4cccc(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587688 556824137 /nfs/dbraw/zinc/82/41/37/556824137.db2.gz VBBJXKKVJZYQLL-GBXCKJPGSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccc(NC(=O)[C@H]2C[C@H](C3CCN(Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587688 556824138 /nfs/dbraw/zinc/82/41/38/556824138.db2.gz VBBJXKKVJZYQLL-GBXCKJPGSA-N 1 1 425.548 4.005 40 0 IIABMO COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019590201 556824918 /nfs/dbraw/zinc/82/49/18/556824918.db2.gz IHYHWYSTQPEZRK-IECBHUPTSA-N 1 1 443.538 4.144 40 0 IIABMO COc1cc(C[N@@H+](C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)ccc1OC(F)F ZINC000005830993 556827371 /nfs/dbraw/zinc/82/73/71/556827371.db2.gz MDWWFSJAMFUYHX-GUDVDZBRSA-N 1 1 425.516 4.098 40 0 IIABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3ccc(Cc4cccc(OC)c4)cn3)C2)cn1 ZINC000019690234 556845602 /nfs/dbraw/zinc/84/56/02/556845602.db2.gz NDZUEMMVDGXDKU-QHCPKHFHSA-N 1 1 432.568 4.040 40 0 IIABMO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000019691015 556846972 /nfs/dbraw/zinc/84/69/72/556846972.db2.gz RLISQFONJMSCAH-XMMPIXPASA-N 1 1 444.583 4.003 40 0 IIABMO Cc1nc([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)nc2c1CCCN2CC1CC1 ZINC000019706243 556864373 /nfs/dbraw/zinc/86/43/73/556864373.db2.gz APOWCFNHYUHZGM-NRFANRHFSA-N 1 1 436.604 4.021 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)nc2c1CCC(=O)N2C ZINC000019741529 556883869 /nfs/dbraw/zinc/88/38/69/556883869.db2.gz RIHFMVATXGHWRO-OAQYLSRUSA-N 1 1 427.552 4.136 40 0 IIABMO COc1ncc(C[NH+]2CCC(c3cc(C(F)(F)F)n4nc(C(C)(C)C)cc4n3)CC2)cn1 ZINC000072341089 556913475 /nfs/dbraw/zinc/91/34/75/556913475.db2.gz UXOCNEWJYFBKEY-UHFFFAOYSA-N 1 1 448.493 4.224 40 0 IIABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1OC ZINC000072351301 556920929 /nfs/dbraw/zinc/92/09/29/556920929.db2.gz CJXZNTDKDJYEJG-KRWDZBQOSA-N 1 1 427.545 4.134 40 0 IIABMO O=C(NCCO)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000072352279 556923627 /nfs/dbraw/zinc/92/36/27/556923627.db2.gz PHTFFOPOYVCMJK-SFHVURJKSA-N 1 1 431.561 4.161 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353125 556925720 /nfs/dbraw/zinc/92/57/20/556925720.db2.gz PZOWETZVVIGNOZ-QHCPKHFHSA-N 1 1 430.556 4.189 40 0 IIABMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353125 556925724 /nfs/dbraw/zinc/92/57/24/556925724.db2.gz PZOWETZVVIGNOZ-QHCPKHFHSA-N 1 1 430.556 4.189 40 0 IIABMO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072370527 556935219 /nfs/dbraw/zinc/93/52/19/556935219.db2.gz WKOHPQSMEOTQMU-IBGZPJMESA-N 1 1 426.557 4.360 40 0 IIABMO NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000072370757 556936537 /nfs/dbraw/zinc/93/65/37/556936537.db2.gz KGPSYBMQRNWXLM-IBGZPJMESA-N 1 1 449.624 4.378 40 0 IIABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000072375653 556952094 /nfs/dbraw/zinc/95/20/94/556952094.db2.gz IDMZXVDUOBZDGC-FQEVSTJZSA-N 1 1 428.540 4.056 40 0 IIABMO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000072376082 556953904 /nfs/dbraw/zinc/95/39/04/556953904.db2.gz NNXOMCNPJAHKNZ-FQEVSTJZSA-N 1 1 442.567 4.099 40 0 IIABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CCOCC1 ZINC000072380061 556957293 /nfs/dbraw/zinc/95/72/93/556957293.db2.gz WVGOGHSDAYNYPN-FQEVSTJZSA-N 1 1 435.593 4.366 40 0 IIABMO CCOC(=O)C1CC[NH+](c2ccc(NCc3cc4ccc(CC)cc4[nH]c3=O)cc2)CC1 ZINC000072396164 556968980 /nfs/dbraw/zinc/96/89/80/556968980.db2.gz OSIXUEUJUMMXQQ-UHFFFAOYSA-N 1 1 433.552 4.482 40 0 IIABMO CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000257203926 556980572 /nfs/dbraw/zinc/98/05/72/556980572.db2.gz ASFLOVJFLPKMHH-ACRUOGEOSA-N 1 1 439.604 4.403 40 0 IIABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269382 556992586 /nfs/dbraw/zinc/99/25/86/556992586.db2.gz MPSPTACRODZUPH-FYYLOGMGSA-N 1 1 448.485 4.484 40 0 IIABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269382 556992588 /nfs/dbraw/zinc/99/25/88/556992588.db2.gz MPSPTACRODZUPH-FYYLOGMGSA-N 1 1 448.485 4.484 40 0 IIABMO Cc1cc(C)cc(C(=O)N2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(Cl)cc43)CC2)c1 ZINC000585103614 557035992 /nfs/dbraw/zinc/03/59/92/557035992.db2.gz HQHNCWDPRYGCGS-UHFFFAOYSA-N 1 1 439.987 4.039 40 0 IIABMO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1ccsc1 ZINC000585110119 557042478 /nfs/dbraw/zinc/04/24/78/557042478.db2.gz KYRSVJHUZLYXSL-FGZHOGPDSA-N 1 1 431.561 4.172 40 0 IIABMO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1ccsc1 ZINC000585110120 557043165 /nfs/dbraw/zinc/04/31/65/557043165.db2.gz KYRSVJHUZLYXSL-VXKWHMMOSA-N 1 1 431.561 4.172 40 0 IIABMO CC(=O)N[C@]12C[N@@H+](Cc3cc4ccccc4s3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000585261343 557194599 /nfs/dbraw/zinc/19/45/99/557194599.db2.gz WZOLMBJYOVJKOJ-LGPLSSKUSA-N 1 1 447.604 4.202 40 0 IIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OC[C@@H]3CCCO3)C[C@H]2c2ccccc2)N1 ZINC000585261704 557196441 /nfs/dbraw/zinc/19/64/41/557196441.db2.gz XOJXRERVKAHGSV-NLJOTIRTSA-N 1 1 434.580 4.273 40 0 IIABMO CCOc1ccc(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1Cl ZINC000223011316 557415369 /nfs/dbraw/zinc/41/53/69/557415369.db2.gz MWAQTEROYKKVAQ-UHFFFAOYSA-N 1 1 440.352 4.331 40 0 IIABMO CC(C)C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017097331 557478512 /nfs/dbraw/zinc/47/85/12/557478512.db2.gz AUPJBDNQBRXIMH-UHFFFAOYSA-N 1 1 431.005 4.131 40 0 IIABMO COc1ccc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000017102766 557491495 /nfs/dbraw/zinc/49/14/95/557491495.db2.gz ZXABXALQCRBLFT-UHFFFAOYSA-N 1 1 438.753 4.115 40 0 IIABMO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000224541268 557618813 /nfs/dbraw/zinc/61/88/13/557618813.db2.gz CINQCMSWPGYTLG-UHFFFAOYSA-N 1 1 437.367 4.409 40 0 IIABMO O=C(NCc1ccc(-n2ccnc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225582989 557747084 /nfs/dbraw/zinc/74/70/84/557747084.db2.gz MIQXOOHYZWQZIQ-UHFFFAOYSA-N 1 1 426.923 4.193 40 0 IIABMO O=C(NCc1cccc(N2CCCC2=O)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586676 557747701 /nfs/dbraw/zinc/74/77/01/557747701.db2.gz YKLYCDHUGHRDHM-UHFFFAOYSA-N 1 1 443.950 4.134 40 0 IIABMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)C1 ZINC000257197526 568664867 /nfs/dbraw/zinc/66/48/67/568664867.db2.gz CBALBWOTUMDPJG-SZPZYZBQSA-N 1 1 435.612 4.182 40 0 IIABMO Cc1nc2ccccc2n1CCCC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000257208677 568669074 /nfs/dbraw/zinc/66/90/74/568669074.db2.gz BNDSRMALSFVXLB-QHCPKHFHSA-N 1 1 428.540 4.378 40 0 IIABMO Cc1nc2cc([C@H]3CC[N@@H+](Cc4ccccc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257221420 568675008 /nfs/dbraw/zinc/67/50/08/568675008.db2.gz DOYVIJIMYOQJAU-NRFANRHFSA-N 1 1 433.600 4.183 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)nc2)n1 ZINC000257233044 568680297 /nfs/dbraw/zinc/68/02/97/568680297.db2.gz GNMJZITUGZNBFD-DEOSSOPVSA-N 1 1 428.540 4.297 40 0 IIABMO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)nc2)n1 ZINC000257233044 568680300 /nfs/dbraw/zinc/68/03/00/568680300.db2.gz GNMJZITUGZNBFD-DEOSSOPVSA-N 1 1 428.540 4.297 40 0 IIABMO CCCN1CC[N@@H+](Cc2[nH]c(CC)nc2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244828 568686079 /nfs/dbraw/zinc/68/60/79/568686079.db2.gz IMZXXNGPQFEQOQ-HSZRJFAPSA-N 1 1 445.611 4.256 40 0 IIABMO Cc1cc(N2CCO[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)nc(C)n1 ZINC000257251217 568689223 /nfs/dbraw/zinc/68/92/23/568689223.db2.gz JPWUWBULCVUYEB-HXUWFJFHSA-N 1 1 447.461 4.035 40 0 IIABMO Cc1cc(N2CCO[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)nc(C)[nH+]1 ZINC000257251217 568689224 /nfs/dbraw/zinc/68/92/24/568689224.db2.gz JPWUWBULCVUYEB-HXUWFJFHSA-N 1 1 447.461 4.035 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257253420 568690199 /nfs/dbraw/zinc/69/01/99/568690199.db2.gz JYXKMBAGAOLUNE-LJQANCHMSA-N 1 1 446.576 4.210 40 0 IIABMO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3ccccc3-c3ccccc3F)CCN2C(C)=O)c1 ZINC000257278555 568701686 /nfs/dbraw/zinc/70/16/86/568701686.db2.gz OCRUVXSBZDUROX-SANMLTNESA-N 1 1 445.538 4.258 40 0 IIABMO Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257281755 568703038 /nfs/dbraw/zinc/70/30/38/568703038.db2.gz OQVYDFAEXGGAEW-HSZRJFAPSA-N 1 1 438.959 4.211 40 0 IIABMO Cc1nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)sc1C ZINC000257287479 568705518 /nfs/dbraw/zinc/70/55/18/568705518.db2.gz PQDZFZAQPHNLCS-OAQYLSRUSA-N 1 1 438.553 4.186 40 0 IIABMO O=C(c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1)N1CCOCC1 ZINC000257299958 568711212 /nfs/dbraw/zinc/71/12/12/568711212.db2.gz RSIJAQAQSGIDEX-LJQANCHMSA-N 1 1 446.576 4.240 40 0 IIABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257332389 568725392 /nfs/dbraw/zinc/72/53/92/568725392.db2.gz XXCMBOUZFRYGJE-HXUWFJFHSA-N 1 1 448.542 4.412 40 0 IIABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000257337839 568727874 /nfs/dbraw/zinc/72/78/74/568727874.db2.gz YUQOTBWXJSKYBT-JWQCQUIFSA-N 1 1 434.511 4.210 40 0 IIABMO Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)c3nccc4ccccc43)CCO2)[nH+]1 ZINC000257339678 568728433 /nfs/dbraw/zinc/72/84/33/568728433.db2.gz ZCTHIUAALUCHHK-JOCHJYFZSA-N 1 1 425.492 4.291 40 0 IIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5cccc(C)n5)C4)nn3c2)c1OC ZINC000306124198 568763011 /nfs/dbraw/zinc/76/30/11/568763011.db2.gz BIYUJJJMCVREHI-HXUWFJFHSA-N 1 1 443.551 4.497 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127772 568764934 /nfs/dbraw/zinc/76/49/34/568764934.db2.gz GHJFXWXSYPYRLI-HYBUGGRVSA-N 1 1 426.992 4.346 40 0 IIABMO COc1cccc(C[N@@H+]2Cc3c(nc(C)n3C(C)C)C3(CCN(c4ncccn4)CC3)C2)c1 ZINC000306132349 568767112 /nfs/dbraw/zinc/76/71/12/568767112.db2.gz LGEDMAIMXHOFEM-UHFFFAOYSA-N 1 1 446.599 4.125 40 0 IIABMO COc1cccc(C[N@H+]2Cc3c(nc(C)n3C(C)C)C3(CCN(c4ncccn4)CC3)C2)c1 ZINC000306132349 568767114 /nfs/dbraw/zinc/76/71/14/568767114.db2.gz LGEDMAIMXHOFEM-UHFFFAOYSA-N 1 1 446.599 4.125 40 0 IIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5cccnc5OC)C4)nn3c2)c1 ZINC000306143603 568773387 /nfs/dbraw/zinc/77/33/87/568773387.db2.gz YGSVMJBMBSLJNU-HXUWFJFHSA-N 1 1 429.524 4.188 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329049035 568810296 /nfs/dbraw/zinc/81/02/96/568810296.db2.gz UMIPFFZFVRKCTG-GOSISDBHSA-N 1 1 436.478 4.244 40 0 IIABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329049035 568810298 /nfs/dbraw/zinc/81/02/98/568810298.db2.gz UMIPFFZFVRKCTG-GOSISDBHSA-N 1 1 436.478 4.244 40 0 IIABMO COc1ccc2c(ccn2CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)c1 ZINC000257198759 568921592 /nfs/dbraw/zinc/92/15/92/568921592.db2.gz HYOQKVKXBAYWJG-RAARWZODSA-N 1 1 433.596 4.462 40 0 IIABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000019237794 569226463 /nfs/dbraw/zinc/22/64/63/569226463.db2.gz IRSHULNKOTXEDY-NBGIEHNGSA-N 1 1 430.552 4.177 40 0 IIABMO CNc1ncccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019592045 569227206 /nfs/dbraw/zinc/22/72/06/569227206.db2.gz ZEPZIXAPDGWRED-AUSIDOKSSA-N 1 1 433.531 4.041 40 0 IIABMO CNc1ncccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019592046 569227447 /nfs/dbraw/zinc/22/74/47/569227447.db2.gz ZEPZIXAPDGWRED-WMZHIEFXSA-N 1 1 433.531 4.041 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](c3cc(COc4ccccc4F)[nH]n3)C1)CO2 ZINC000019704673 569233558 /nfs/dbraw/zinc/23/35/58/569233558.db2.gz RGHSTAWBIOUUPD-GOSISDBHSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](c3cc(COc4ccccc4F)n[nH]3)C1)CO2 ZINC000019704673 569233559 /nfs/dbraw/zinc/23/35/59/569233559.db2.gz RGHSTAWBIOUUPD-GOSISDBHSA-N 1 1 435.499 4.402 40 0 IIABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](c3cc(COc4ccccc4F)n[nH]3)C1)CO2 ZINC000019704673 569233560 /nfs/dbraw/zinc/23/35/60/569233560.db2.gz RGHSTAWBIOUUPD-GOSISDBHSA-N 1 1 435.499 4.402 40 0 IIABMO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ccncc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704896 569233602 /nfs/dbraw/zinc/23/36/02/569233602.db2.gz PQQRYASNSKCZRR-XMMPIXPASA-N 1 1 441.572 4.481 40 0 IIABMO CC(C)N(C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1)C1CCCCC1 ZINC000019713237 569235404 /nfs/dbraw/zinc/23/54/04/569235404.db2.gz OJGAOANYUHZOJV-DNQXCXABSA-N 1 1 425.617 4.212 40 0 IIABMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)cn2C(C)C ZINC000019763638 569238005 /nfs/dbraw/zinc/23/80/05/569238005.db2.gz INCOZJKEUBQREW-IBGZPJMESA-N 1 1 449.599 4.411 40 0 IIABMO CCOc1c(Br)cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000034707548 569247339 /nfs/dbraw/zinc/24/73/39/569247339.db2.gz HDZVGQHWPHBZOL-UHFFFAOYSA-N 1 1 449.414 4.350 40 0 IIABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857023 569249228 /nfs/dbraw/zinc/24/92/28/569249228.db2.gz CGOIFLLEEJIAPY-MBSDFSHPSA-N 1 1 428.598 4.203 40 0 IIABMO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@H+]23)cc1 ZINC000009510595 569297049 /nfs/dbraw/zinc/29/70/49/569297049.db2.gz UZPHINACJLIIRP-DLVXIWMQSA-N 1 1 443.330 4.137 40 0 IIABMO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@@H+]23)cc1 ZINC000009510595 569297051 /nfs/dbraw/zinc/29/70/51/569297051.db2.gz UZPHINACJLIIRP-DLVXIWMQSA-N 1 1 443.330 4.137 40 0 IIABMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022075555 520714005 /nfs/dbraw/zinc/71/40/05/520714005.db2.gz ZKNCYWZFXMATFZ-UHFFFAOYSA-N 1 1 425.342 4.217 40 0 IIABMO S=C(Nc1ccc2c(c1)OCCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035074035 526385637 /nfs/dbraw/zinc/38/56/37/526385637.db2.gz ROXRXPHYGPLRPK-XNSSQMBPSA-N 1 1 425.598 4.050 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000012157819 526874269 /nfs/dbraw/zinc/87/42/69/526874269.db2.gz DJXUQURBNQRDRV-OXQOHEQNSA-N 1 1 428.508 4.200 40 0 IIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000012157819 526874272 /nfs/dbraw/zinc/87/42/72/526874272.db2.gz DJXUQURBNQRDRV-OXQOHEQNSA-N 1 1 428.508 4.200 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257318358 556704185 /nfs/dbraw/zinc/70/41/85/556704185.db2.gz VNOLBDGCAPAFAH-BVAGGSTKSA-N 1 1 449.526 4.222 40 0 IIABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257324551 556704845 /nfs/dbraw/zinc/70/48/45/556704845.db2.gz WPFNMLLVLPJYEA-AREMUKBSSA-N 1 1 442.575 4.213 40 0 IIABMO COCCOc1cc(C[N@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000257334229 556705917 /nfs/dbraw/zinc/70/59/17/556705917.db2.gz YFCFGRAOKFXGMQ-AREMUKBSSA-N 1 1 443.584 4.479 40 0 IIABMO CN([C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257269493 556713707 /nfs/dbraw/zinc/71/37/07/556713707.db2.gz MQGCILQSFDXSMP-XMMPIXPASA-N 1 1 441.641 4.103 40 0 IIABMO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@@H+](CCCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219470 556713744 /nfs/dbraw/zinc/71/37/44/556713744.db2.gz GCDMZJNFMVQIJJ-AREMUKBSSA-N 1 1 438.543 4.373 40 0 IIABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019287658 556728200 /nfs/dbraw/zinc/72/82/00/556728200.db2.gz CBYYWRMOCQTRDA-GDBMZVCRSA-N 1 1 448.493 4.029 40 0 IIABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019287655 556728210 /nfs/dbraw/zinc/72/82/10/556728210.db2.gz CBYYWRMOCQTRDA-GOEBONIOSA-N 1 1 448.493 4.029 40 0 IIABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)[nH]c2=O)C1 ZINC000019448373 556757847 /nfs/dbraw/zinc/75/78/47/556757847.db2.gz QLGGDAOKNFAGQM-FQEVSTJZSA-N 1 1 440.613 4.256 40 0 IIABMO CCc1ncc(C[NH+]2CCC([C@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)cn1 ZINC000019523336 556780728 /nfs/dbraw/zinc/78/07/28/556780728.db2.gz CWYUCQFWVCBDEG-VWLOTQADSA-N 1 1 429.568 4.126 40 0 IIABMO CCn1ccnc1C[N@H+]1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019578069 556815765 /nfs/dbraw/zinc/81/57/65/556815765.db2.gz IXFCMCXOVZQYIQ-HHHXNRCGSA-N 1 1 445.611 4.315 40 0 IIABMO COc1ccccc1C[N@H+]1CC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 ZINC000019580410 556818487 /nfs/dbraw/zinc/81/84/87/556818487.db2.gz YDNMXWDLLZTSNN-HHHXNRCGSA-N 1 1 429.564 4.280 40 0 IIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019584430 556821798 /nfs/dbraw/zinc/82/17/98/556821798.db2.gz NMHYYQFUVHYOJC-HXUWFJFHSA-N 1 1 433.556 4.001 40 0 IIABMO COCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592997 556829224 /nfs/dbraw/zinc/82/92/24/556829224.db2.gz DOBTWHIAGIMREV-IGKIAQTJSA-N 1 1 429.564 4.465 40 0 IIABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593227 556829530 /nfs/dbraw/zinc/82/95/30/556829530.db2.gz IHUNIWWLXUFKNK-VGSWGCGISA-N 1 1 436.383 4.494 40 0 IIABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593227 556829532 /nfs/dbraw/zinc/82/95/32/556829532.db2.gz IHUNIWWLXUFKNK-VGSWGCGISA-N 1 1 436.383 4.494 40 0 IIABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc2c1 ZINC000006300870 556832063 /nfs/dbraw/zinc/83/20/63/556832063.db2.gz DKUUHUCCIOWRFX-DEOSSOPVSA-N 1 1 442.567 4.145 40 0 IIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582816 556842386 /nfs/dbraw/zinc/84/23/86/556842386.db2.gz ROJUKTZSZZWFME-OAQYLSRUSA-N 1 1 448.567 4.364 40 0 IIABMO COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)c4noc(C)c4C[NH+](C)C)C3)nc2)c1 ZINC000019690208 556845686 /nfs/dbraw/zinc/84/56/86/556845686.db2.gz JWJAYILJRWYKBI-NRFANRHFSA-N 1 1 448.567 4.059 40 0 IIABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)c2)cn1 ZINC000019690846 556846857 /nfs/dbraw/zinc/84/68/57/556846857.db2.gz INRXHOKOYAWQKG-JOCHJYFZSA-N 1 1 432.572 4.169 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000019694838 556850986 /nfs/dbraw/zinc/85/09/86/556850986.db2.gz MCBBFHUPHQMRPH-HXUWFJFHSA-N 1 1 433.556 4.349 40 0 IIABMO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000019694838 556850990 /nfs/dbraw/zinc/85/09/90/556850990.db2.gz MCBBFHUPHQMRPH-HXUWFJFHSA-N 1 1 433.556 4.349 40 0 IIABMO CN(C)c1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)CC2CCCCC2)n1 ZINC000019701019 556860999 /nfs/dbraw/zinc/86/09/99/556860999.db2.gz XTJAEXFOJRUAPN-IBGZPJMESA-N 1 1 439.579 4.214 40 0 IIABMO COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](C5CCCC5)C4)nc32)c1 ZINC000019741448 556883610 /nfs/dbraw/zinc/88/36/10/556883610.db2.gz GRROJTYLIPJRPO-FQEVSTJZSA-N 1 1 434.584 4.395 40 0 IIABMO Cc1nccc(-c2ccc(-c3noc(CN4CC[NH+]([C@@H](C)c5ccccc5)CC4)n3)cc2)n1 ZINC000072340136 556912046 /nfs/dbraw/zinc/91/20/46/556912046.db2.gz IZXDUMXQCRLEEZ-IBGZPJMESA-N 1 1 440.551 4.381 40 0 IIABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)CCC2 ZINC000072353691 556927628 /nfs/dbraw/zinc/92/76/28/556927628.db2.gz USIIPZNSQVPSOC-HXUWFJFHSA-N 1 1 429.568 4.306 40 0 IIABMO CNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cn(C(C)=O)c3ccccc23)C1 ZINC000072361014 556933219 /nfs/dbraw/zinc/93/32/19/556933219.db2.gz WKBSYPSINQRZSJ-INIZCTEOSA-N 1 1 432.549 4.260 40 0 IIABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1Cc1cnc(C)s1 ZINC000072370326 556934515 /nfs/dbraw/zinc/93/45/15/556934515.db2.gz WNWBXZSFILFXRZ-INIZCTEOSA-N 1 1 429.611 4.250 40 0 IIABMO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072370528 556935307 /nfs/dbraw/zinc/93/53/07/556935307.db2.gz WKOHPQSMEOTQMU-LJQANCHMSA-N 1 1 426.557 4.360 40 0 IIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1CC(=O)N1CCCCC1 ZINC000072370704 556935860 /nfs/dbraw/zinc/93/58/60/556935860.db2.gz MIIFTRUJUPTFAB-LJQANCHMSA-N 1 1 441.641 4.403 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371469 556938884 /nfs/dbraw/zinc/93/88/84/556938884.db2.gz LYVCCSCZJDKELJ-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371469 556938887 /nfs/dbraw/zinc/93/88/87/556938887.db2.gz LYVCCSCZJDKELJ-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nn(C)cc1C[N@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371469 556938890 /nfs/dbraw/zinc/93/88/90/556938890.db2.gz LYVCCSCZJDKELJ-INIZCTEOSA-N 1 1 433.478 4.081 40 0 IIABMO Cc1nc2ccccc2n1Cc1cc(NCC2(c3ccc(C)cc3)CCOCC2)nc(N)[nH+]1 ZINC000072373265 556946171 /nfs/dbraw/zinc/94/61/71/556946171.db2.gz IOPYDJVKBDDYMV-UHFFFAOYSA-N 1 1 442.567 4.234 40 0 IIABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)s1 ZINC000072375657 556952112 /nfs/dbraw/zinc/95/21/12/556952112.db2.gz KRNCKTUZQLKVNZ-SFHVURJKSA-N 1 1 434.569 4.118 40 0 IIABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](Cc2cncn2CC)C1 ZINC000072394016 556965334 /nfs/dbraw/zinc/96/53/34/556965334.db2.gz APNIDZWYGAOMEV-DEOSSOPVSA-N 1 1 440.519 4.085 40 0 IIABMO C=Cn1cc(C[N@@H+]2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)OCC)C2)c(C)n1 ZINC000072394091 556965653 /nfs/dbraw/zinc/96/56/53/556965653.db2.gz YBXWKLFYZNDULE-RUZDIDTESA-N 1 1 434.540 4.335 40 0 IIABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398584 556970336 /nfs/dbraw/zinc/97/03/36/556970336.db2.gz NHCVPLXYQUOXQQ-JPYJTQIMSA-N 1 1 425.573 4.214 40 0 IIABMO O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1cccc(F)c1 ZINC000585110096 557042484 /nfs/dbraw/zinc/04/24/84/557042484.db2.gz INELSHITHAPPNF-DNQXCXABSA-N 1 1 443.522 4.249 40 0 IIABMO O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]12)c1cccc(F)c1 ZINC000585110098 557042531 /nfs/dbraw/zinc/04/25/31/557042531.db2.gz INELSHITHAPPNF-ZEQRLZLVSA-N 1 1 443.522 4.249 40 0 IIABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096056080 557166926 /nfs/dbraw/zinc/16/69/26/557166926.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 1 1 427.614 4.037 40 0 IIABMO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096056080 557166929 /nfs/dbraw/zinc/16/69/29/557166929.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 1 1 427.614 4.037 40 0 IIABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096056080 557166933 /nfs/dbraw/zinc/16/69/33/557166933.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 1 1 427.614 4.037 40 0 IIABMO O=C(N1CCC[C@H](Cc2ccc3[nH+]ccn3c2)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000585261916 557197754 /nfs/dbraw/zinc/19/77/54/557197754.db2.gz SBQRITLGIMXKOV-FQEVSTJZSA-N 1 1 435.543 4.393 40 0 IIABMO Cc1nccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585271512 557213264 /nfs/dbraw/zinc/21/32/64/557213264.db2.gz AILSDGDDCFMRTN-SANMLTNESA-N 1 1 435.568 4.067 40 0 IIABMO COc1ccc(C[NH+]2CCC(Nc3nc(C)nc4sc(C)cc43)CC2)cc1CN(C)C ZINC000585292336 557230394 /nfs/dbraw/zinc/23/03/94/557230394.db2.gz HMLJZHQXKKTCAS-UHFFFAOYSA-N 1 1 439.629 4.455 40 0 IIABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774053 557263779 /nfs/dbraw/zinc/26/37/79/557263779.db2.gz RRNLSRWDBCCRJH-DFBJGRDBSA-N 1 1 425.573 4.214 40 0 IIABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222717168 557378872 /nfs/dbraw/zinc/37/88/72/557378872.db2.gz BVSRHMIUCXDKBB-HNNXBMFYSA-N 1 1 432.923 4.340 40 0 IIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000224102039 557561360 /nfs/dbraw/zinc/56/13/60/557561360.db2.gz AGXPENSGXXHWPH-JLPGSUDCSA-N 1 1 440.503 4.169 40 0 IIABMO Cn1c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2sc1=O ZINC000225021852 557678845 /nfs/dbraw/zinc/67/88/45/557678845.db2.gz LDXZLKULQMJPLS-UHFFFAOYSA-N 1 1 429.545 4.411 40 0 IIABMO O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225583754 557746974 /nfs/dbraw/zinc/74/69/74/557746974.db2.gz QUPUAAXLYFHMFT-UHFFFAOYSA-N 1 1 429.923 4.457 40 0 IIABMO COc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589364 557748393 /nfs/dbraw/zinc/74/83/93/557748393.db2.gz NYUUPLWOKDJZHE-MRXNPFEDSA-N 1 1 434.939 4.283 40 0 IIABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257205054 568667635 /nfs/dbraw/zinc/66/76/35/568667635.db2.gz AXLDHFNIWCHVLM-LJQANCHMSA-N 1 1 448.596 4.079 40 0 IIABMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257205054 568667636 /nfs/dbraw/zinc/66/76/36/568667636.db2.gz AXLDHFNIWCHVLM-LJQANCHMSA-N 1 1 448.596 4.079 40 0 IIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257208734 568669175 /nfs/dbraw/zinc/66/91/75/568669175.db2.gz BNKRCPGUTBMLMZ-NRFANRHFSA-N 1 1 449.990 4.497 40 0 IIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257208734 568669176 /nfs/dbraw/zinc/66/91/76/568669176.db2.gz BNKRCPGUTBMLMZ-NRFANRHFSA-N 1 1 449.990 4.497 40 0 IIABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4n[nH]c5ccc(C)cc54)CCO3)c2)n1 ZINC000257239438 568683357 /nfs/dbraw/zinc/68/33/57/568683357.db2.gz HPGRDACQYIAUNH-HXUWFJFHSA-N 1 1 448.552 4.297 40 0 IIABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](Cc3cccn4ccnc34)CC2)c1 ZINC000257239745 568683839 /nfs/dbraw/zinc/68/38/39/568683839.db2.gz HQPZXHHOLPHATD-OAQYLSRUSA-N 1 1 427.552 4.373 40 0 IIABMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccc(F)cc1 ZINC000257242073 568684657 /nfs/dbraw/zinc/68/46/57/568684657.db2.gz IAZWWJXZGBBTHC-JOCHJYFZSA-N 1 1 425.479 4.339 40 0 IIABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccc(F)cc1 ZINC000257242073 568684658 /nfs/dbraw/zinc/68/46/58/568684658.db2.gz IAZWWJXZGBBTHC-JOCHJYFZSA-N 1 1 425.479 4.339 40 0 IIABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2c2ccccc2)CC1 ZINC000257286562 568705155 /nfs/dbraw/zinc/70/51/55/568705155.db2.gz PMAGMKVUCKSPAF-HXUWFJFHSA-N 1 1 430.951 4.334 40 0 IIABMO COc1cc2c(cc1C[NH+]1CCC(c3cc(Nc4ncccn4)cc(C)n3)CC1)OCCO2 ZINC000257287620 568705619 /nfs/dbraw/zinc/70/56/19/568705619.db2.gz PQSYIUIZPBTFBN-UHFFFAOYSA-N 1 1 447.539 4.083 40 0 IIABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257288629 568706253 /nfs/dbraw/zinc/70/62/53/568706253.db2.gz PVALFIPKNHTEFL-HSZRJFAPSA-N 1 1 426.564 4.296 40 0 IIABMO Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(Nc5ncccc5C)cc(C)[nH+]4)C3)c2c1 ZINC000257293915 568708559 /nfs/dbraw/zinc/70/85/59/568708559.db2.gz QRRVJMUHTGSQCC-JOCHJYFZSA-N 1 1 442.523 4.235 40 0 IIABMO Cc1cc(C[C@H]2CC[C@@H]3C[N@@H+](CC(=O)Nc4ccc(Oc5cccnc5)cc4)C[C@H]23)ncn1 ZINC000257301455 568711856 /nfs/dbraw/zinc/71/18/56/568711856.db2.gz RYMPTYYIRFQKMU-UMEGOILYSA-N 1 1 443.551 4.112 40 0 IIABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCCNc2ncnc3ccccc32)n1 ZINC000257315060 568717803 /nfs/dbraw/zinc/71/78/03/568717803.db2.gz UZSXYEJFBPQCNE-JOCHJYFZSA-N 1 1 441.539 4.075 40 0 IIABMO Cc1nc(N(C)C)cc([C@]2(C)CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257317270 568718982 /nfs/dbraw/zinc/71/89/82/568718982.db2.gz VJBZBJSQRGPLPF-AREMUKBSSA-N 1 1 431.584 4.379 40 0 IIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257331479 568725187 /nfs/dbraw/zinc/72/51/87/568725187.db2.gz XTAUYLUZOXTTQB-HXUWFJFHSA-N 1 1 433.531 4.188 40 0 IIABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccn3ccnc23)CC1 ZINC000257340340 568728705 /nfs/dbraw/zinc/72/87/05/568728705.db2.gz ZFPCLPAEUJKNMU-OAQYLSRUSA-N 1 1 427.552 4.373 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129075 568765343 /nfs/dbraw/zinc/76/53/43/568765343.db2.gz HTWUOOZYSMRVNT-QPPBQGQZSA-N 1 1 426.992 4.346 40 0 IIABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137211 568769954 /nfs/dbraw/zinc/76/99/54/568769954.db2.gz QPBNBSHKQYKWLS-ATIYNZHBSA-N 1 1 447.558 4.016 40 0 IIABMO COc1ccccc1-c1n[nH]cc1C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198985 568921657 /nfs/dbraw/zinc/92/16/57/568921657.db2.gz NYFNOLMYHKOVBN-DKYNXLSCSA-N 1 1 432.568 4.121 40 0 IIABMO COCCn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)cc21 ZINC000257199154 568921967 /nfs/dbraw/zinc/92/19/67/568921967.db2.gz UZKDOMKTZBWBIB-UHCVVMIDSA-N 1 1 433.596 4.323 40 0 IIABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000012219520 569224953 /nfs/dbraw/zinc/22/49/53/569224953.db2.gz LZABBTJKHPFIIK-QGZVFWFLSA-N 1 1 446.382 4.254 40 0 IIABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000019133398 569226118 /nfs/dbraw/zinc/22/61/18/569226118.db2.gz UIALLSRHFRDELP-XMSQKQJNSA-N 1 1 436.581 4.238 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000019701948 569231592 /nfs/dbraw/zinc/23/15/92/569231592.db2.gz UVUZAMFTSJVITJ-MRXNPFEDSA-N 1 1 429.973 4.315 40 0 IIABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000019701949 569231669 /nfs/dbraw/zinc/23/16/69/569231669.db2.gz UVUZAMFTSJVITJ-INIZCTEOSA-N 1 1 429.973 4.315 40 0 IIABMO COc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ncc(C(=O)N4CCCCC4)c(C)n3)cn(C)c2c1 ZINC000019756160 569236937 /nfs/dbraw/zinc/23/69/37/569236937.db2.gz GBPOBWYTHBTAAK-HSZRJFAPSA-N 1 1 447.583 4.249 40 0 IIABMO COc1ccc2c(C[N@H+]3CCC[C@@H]3c3ncc(C(=O)N4CCCCC4)c(C)n3)cn(C)c2c1 ZINC000019756160 569236939 /nfs/dbraw/zinc/23/69/39/569236939.db2.gz GBPOBWYTHBTAAK-HSZRJFAPSA-N 1 1 447.583 4.249 40 0 IIABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CCC2 ZINC000019762958 569237742 /nfs/dbraw/zinc/23/77/42/569237742.db2.gz WZUWHTPDYADDMW-QFIPXVFZSA-N 1 1 448.611 4.288 40 0 IIABMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3C[C@H]4C[C@@H]3CC(C)(C)C4)c21 ZINC000009233205 569294677 /nfs/dbraw/zinc/29/46/77/569294677.db2.gz RWCMATOEQGUTIZ-DLBZAZTESA-N 1 1 441.572 4.121 40 0 IIABMO CN(CCO)C(=O)c1cc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc2ccccc21 ZINC000019761721 569328671 /nfs/dbraw/zinc/32/86/71/569328671.db2.gz ZPVYLGKBVWAAKS-KRWDZBQOSA-N 1 1 441.934 4.081 40 0 IIABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)cc1 ZINC000019763528 569328918 /nfs/dbraw/zinc/32/89/18/569328918.db2.gz ZCVBELBVRILQTI-QHCPKHFHSA-N 1 1 444.579 4.493 40 0 IIABMO