smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180767862 837542699 /nfs/dbraw/zinc/54/26/99/837542699.db2.gz OUGXFWYBHGFNEV-CRAIPNDOSA-N 0 3 383.458 3.881 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cn2ccnc2s1 ZINC000892609875 837064357 /nfs/dbraw/zinc/06/43/57/837064357.db2.gz CPKQUSFIABWUKC-UHFFFAOYSA-N 0 3 396.438 3.541 20 10 GHCDHN CC[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000728945451 843803522 /nfs/dbraw/zinc/80/35/22/843803522.db2.gz UCEOWPOWGARORF-VQIMIIECSA-N 0 3 397.519 3.598 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000054153160 845001827 /nfs/dbraw/zinc/00/18/27/845001827.db2.gz RJKIVJSUNNOTKL-INIZCTEOSA-N 0 3 388.533 3.503 20 10 GHCDHN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399999 861611819 /nfs/dbraw/zinc/61/18/19/861611819.db2.gz SFDCXUPILLPIIR-IBGZPJMESA-N 0 3 397.563 3.673 20 10 GHCDHN COc1ccc(CN[C@H]2CCOc3c(Br)cccc32)c(O)c1OC ZINC000894258491 846203441 /nfs/dbraw/zinc/20/34/41/846203441.db2.gz SVVFZOSPUMJNAT-AWEZNQCLSA-N 0 3 394.265 3.785 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280040370 846272256 /nfs/dbraw/zinc/27/22/56/846272256.db2.gz IUNIRKUZMFTKLN-FQEVSTJZSA-N 0 3 390.549 3.769 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCCOc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000731844685 861902639 /nfs/dbraw/zinc/90/26/39/861902639.db2.gz MIPJMRXAKOQFDR-IBGZPJMESA-N 0 3 385.460 3.571 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCCOc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000731844685 861902654 /nfs/dbraw/zinc/90/26/54/861902654.db2.gz MIPJMRXAKOQFDR-IBGZPJMESA-N 0 3 385.460 3.571 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCCOc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000731844688 861904003 /nfs/dbraw/zinc/90/40/03/861904003.db2.gz MIPJMRXAKOQFDR-LJQANCHMSA-N 0 3 385.460 3.571 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCCOc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000731844688 861904018 /nfs/dbraw/zinc/90/40/18/861904018.db2.gz MIPJMRXAKOQFDR-LJQANCHMSA-N 0 3 385.460 3.571 20 10 GHCDHN Cc1cc(Br)cc(CNCc2cc(C(F)(F)F)nn2C)c1O ZINC000896839996 861917850 /nfs/dbraw/zinc/91/78/50/861917850.db2.gz APMYIUYRXSUUTA-UHFFFAOYSA-N 0 3 378.192 3.505 20 10 GHCDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000583059099 848989349 /nfs/dbraw/zinc/98/93/49/848989349.db2.gz FGGQOSIUOVMYPC-UHFFFAOYSA-N 0 3 379.460 3.600 20 10 GHCDHN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732284671 862190942 /nfs/dbraw/zinc/19/09/42/862190942.db2.gz XBJZIKVCHYNUMY-UHFFFAOYSA-N 0 3 387.505 3.911 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(O)c1 ZINC000733334854 862876557 /nfs/dbraw/zinc/87/65/57/862876557.db2.gz RYHVTIDVDLQDSE-GOSISDBHSA-N 0 3 390.911 3.904 20 10 GHCDHN CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000733334316 862876684 /nfs/dbraw/zinc/87/66/84/862876684.db2.gz FXQQWZBKNJGZEB-HXUWFJFHSA-N 0 3 387.911 3.758 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000765979034 859269919 /nfs/dbraw/zinc/26/99/19/859269919.db2.gz VZQQACSVODNCTR-UONOGXRCSA-N 0 3 384.455 3.656 20 10 GHCDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCCO2 ZINC000765251566 859866694 /nfs/dbraw/zinc/86/66/94/859866694.db2.gz GMYVABSSJPIVFT-UGKGYDQZSA-N 0 3 393.531 3.700 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc2[nH]cnc2c1 ZINC000727466759 860105231 /nfs/dbraw/zinc/10/52/31/860105231.db2.gz FNFUYEBXHIOVCW-UHFFFAOYSA-N 0 3 390.409 3.708 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000733800450 863191975 /nfs/dbraw/zinc/19/19/75/863191975.db2.gz SHLTZGLVYMZSAX-GOSISDBHSA-N 0 3 377.410 3.667 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000734167414 864045564 /nfs/dbraw/zinc/04/55/64/864045564.db2.gz TXFNRXQWHMPHIA-QHCPKHFHSA-N 0 3 392.547 3.751 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184887899 865026031 /nfs/dbraw/zinc/02/60/31/865026031.db2.gz VPHVKBCUSPDMOM-GJZGRUSLSA-N 0 3 394.512 3.974 20 10 GHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000184965837 865080597 /nfs/dbraw/zinc/08/05/97/865080597.db2.gz WQTDXTNPSNKABE-QGZVFWFLSA-N 0 3 388.533 3.726 20 10 GHCDHN Cc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N2CCCCC2)c(O)c1 ZINC000184966109 865082326 /nfs/dbraw/zinc/08/23/26/865082326.db2.gz AGOCKKKLJCCNDA-QGZVFWFLSA-N 0 3 388.533 3.726 20 10 GHCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@@H]1C ZINC000792979225 881836252 /nfs/dbraw/zinc/83/62/52/881836252.db2.gz HAJJDQGUUJJKGL-OHQAAIJDSA-N 0 3 394.943 3.577 20 10 GHCDHN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000738439786 865541376 /nfs/dbraw/zinc/54/13/76/865541376.db2.gz NFOFDBYUSAMAJO-HSZRJFAPSA-N 0 3 386.495 3.639 20 10 GHCDHN Cc1ccncc1CNC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000793036859 881884452 /nfs/dbraw/zinc/88/44/52/881884452.db2.gz DMOUJMDIIOHYNY-FQEVSTJZSA-N 0 3 384.524 3.812 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1F ZINC000740003880 865823496 /nfs/dbraw/zinc/82/34/96/865823496.db2.gz ACPUXQBOLLSFPV-HNNXBMFYSA-N 0 3 393.528 3.894 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000793279496 882088823 /nfs/dbraw/zinc/08/88/23/882088823.db2.gz GAJFAZYHNGJJDA-UHFFFAOYSA-N 0 3 386.561 3.770 20 10 GHCDHN Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000744403023 868810639 /nfs/dbraw/zinc/81/06/39/868810639.db2.gz SOHRYVYLIWDETP-SFHVURJKSA-N 0 3 386.467 3.850 20 10 GHCDHN Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000744403023 868810656 /nfs/dbraw/zinc/81/06/56/868810656.db2.gz SOHRYVYLIWDETP-SFHVURJKSA-N 0 3 386.467 3.850 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cc(F)ccc1[O-] ZINC000793560112 882267537 /nfs/dbraw/zinc/26/75/37/882267537.db2.gz MJHWCIHHUXQVIN-MCMMXHMISA-N 0 3 397.450 3.607 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000746417730 870634020 /nfs/dbraw/zinc/63/40/20/870634020.db2.gz RDQHNQUOZMNVPE-FQEVSTJZSA-N 0 3 398.526 3.698 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000182324964 872213031 /nfs/dbraw/zinc/21/30/31/872213031.db2.gz FWAXWOGBDRFADD-HNNXBMFYSA-N 0 3 391.533 3.823 20 10 GHCDHN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182422565 872337909 /nfs/dbraw/zinc/33/79/09/872337909.db2.gz VTCWIHFAROTDOC-IERDGZPVSA-N 0 3 398.503 3.814 20 10 GHCDHN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768181062 873150442 /nfs/dbraw/zinc/15/04/42/873150442.db2.gz SOPNVYLPLWMQCA-UHFFFAOYSA-N 0 3 399.510 3.902 20 10 GHCDHN Fc1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)ccc1N1CCOCC1 ZINC000768234013 873182861 /nfs/dbraw/zinc/18/28/61/873182861.db2.gz FKRDBJRLWCGCAO-UHFFFAOYSA-N 0 3 392.478 3.828 20 10 GHCDHN COC(=O)CCn1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000768352623 873251321 /nfs/dbraw/zinc/25/13/21/873251321.db2.gz PHESYUNTXOCNHL-UHFFFAOYSA-N 0 3 386.540 3.540 20 10 GHCDHN COc1cnccc1N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000794340832 882706391 /nfs/dbraw/zinc/70/63/91/882706391.db2.gz ZALOKIIPQNIZRI-UHFFFAOYSA-N 0 3 396.516 3.522 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1OC ZINC000858010313 882713177 /nfs/dbraw/zinc/71/31/77/882713177.db2.gz GPEXFBLHCGVPEN-GOSISDBHSA-N 0 3 384.476 3.725 20 10 GHCDHN CCOCc1cc(CN2CCCN(c3ccc(OC)cc3)CC2)ccc1OC ZINC000768998553 873763077 /nfs/dbraw/zinc/76/30/77/873763077.db2.gz PIVCHIKJJCONPW-UHFFFAOYSA-N 0 3 384.520 3.953 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cnc(C)n3-c3ccccc3)CC2)cc1 ZINC000768999078 873764624 /nfs/dbraw/zinc/76/46/24/873764624.db2.gz TYYYIMRSLSRCDC-UHFFFAOYSA-N 0 3 376.504 3.902 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c([O-])c1 ZINC000769483209 874064366 /nfs/dbraw/zinc/06/43/66/874064366.db2.gz HANRWULDCBUZQR-QAPCUYQASA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c([O-])c1 ZINC000769483209 874064379 /nfs/dbraw/zinc/06/43/79/874064379.db2.gz HANRWULDCBUZQR-QAPCUYQASA-N 0 3 378.513 3.916 20 10 GHCDHN CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769499882 874107437 /nfs/dbraw/zinc/10/74/37/874107437.db2.gz SDTLGOBOCITUJP-KRWDZBQOSA-N 0 3 375.310 3.861 20 10 GHCDHN CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769499882 874107452 /nfs/dbraw/zinc/10/74/52/874107452.db2.gz SDTLGOBOCITUJP-KRWDZBQOSA-N 0 3 375.310 3.861 20 10 GHCDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386023 874612870 /nfs/dbraw/zinc/61/28/70/874612870.db2.gz LXKJVBRXMBBJBT-JTHBVZDNSA-N 0 3 377.488 3.881 20 10 GHCDHN Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386023 874612878 /nfs/dbraw/zinc/61/28/78/874612878.db2.gz LXKJVBRXMBBJBT-JTHBVZDNSA-N 0 3 377.488 3.881 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000151586522 875630959 /nfs/dbraw/zinc/63/09/59/875630959.db2.gz JZWCOKPYHNBOAF-KRWDZBQOSA-N 0 3 385.527 3.951 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 ZINC000850368977 876856506 /nfs/dbraw/zinc/85/65/06/876856506.db2.gz QVEWCZJGAAIDQZ-WIYYLYMNSA-N 0 3 386.561 3.768 20 10 GHCDHN Cc1nc2scc(C3CC3)n2c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406209 876886620 /nfs/dbraw/zinc/88/66/20/876886620.db2.gz XLPQYFGPWGCOGS-UHFFFAOYSA-N 0 3 396.560 3.833 20 10 GHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(Br)cn3)C2)cc1 ZINC000850486216 876959796 /nfs/dbraw/zinc/95/97/96/876959796.db2.gz AXTHVJDUHGGBKC-HIFRSBDPSA-N 0 3 376.298 3.782 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1[O-] ZINC000850560074 877026485 /nfs/dbraw/zinc/02/64/85/877026485.db2.gz BPHUGFFNYQUYOA-UGSOOPFHSA-N 0 3 386.330 3.681 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850759861 877146459 /nfs/dbraw/zinc/14/64/59/877146459.db2.gz RYOJJGDEKFSETN-QFIPXVFZSA-N 0 3 396.535 3.856 20 10 GHCDHN Cc1ccc(O)c(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000179788791 878020763 /nfs/dbraw/zinc/02/07/63/878020763.db2.gz VKQXJMUJVAURQG-UHFFFAOYSA-N 0 3 398.532 3.563 20 10 GHCDHN CN(C)c1ccc(CNCc2cccc(I)c2)cc1F ZINC000790529689 879796442 /nfs/dbraw/zinc/79/64/42/879796442.db2.gz NBYMDJQYTKUCDV-UHFFFAOYSA-N 0 3 384.236 3.786 20 10 GHCDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000790895169 880053725 /nfs/dbraw/zinc/05/37/25/880053725.db2.gz HCXZBMKMQFDDGW-HXUWFJFHSA-N 0 3 385.508 3.817 20 10 GHCDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000806433261 884670562 /nfs/dbraw/zinc/67/05/62/884670562.db2.gz IEDCWXJVESDPMW-YLJYHZDGSA-N 0 3 384.524 3.808 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-c4csnn4)cc3)c2)CC1 ZINC000860914392 885096394 /nfs/dbraw/zinc/09/63/94/885096394.db2.gz WLOPXKNTJDRZMW-UHFFFAOYSA-N 0 3 393.516 3.599 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cnc4c(cnn4C(C)C)c3)CC2)cc1 ZINC000154935431 885205785 /nfs/dbraw/zinc/20/57/85/885205785.db2.gz XNYRGRXLMRRYFN-UHFFFAOYSA-N 0 3 379.508 3.733 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762625736 886559376 /nfs/dbraw/zinc/55/93/76/886559376.db2.gz PTUQSQIGQHIARM-VLIAUNLRSA-N 0 3 378.875 3.976 20 10 GHCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])N2CCOCC2)o1 ZINC000808673570 886668329 /nfs/dbraw/zinc/66/83/29/886668329.db2.gz QVDWMEQYIMVZCM-QAPCUYQASA-N 0 3 378.900 3.980 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1[O-] ZINC000808716768 886700203 /nfs/dbraw/zinc/70/02/03/886700203.db2.gz VKZPETLNTLAPMU-ACJLOTCBSA-N 0 3 376.859 3.945 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1[O-] ZINC000808695421 886713547 /nfs/dbraw/zinc/71/35/47/886713547.db2.gz KTLSOSBKOKUHQI-SJORKVTESA-N 0 3 388.943 3.610 20 10 GHCDHN C[C@@H](c1ccccc1)[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119277122 886875783 /nfs/dbraw/zinc/87/57/83/886875783.db2.gz UCUXDHLBNAQKMR-KRWDZBQOSA-N 0 3 395.503 3.676 20 10 GHCDHN C[C@@H](c1ccccc1)[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119277122 886875800 /nfs/dbraw/zinc/87/58/00/886875800.db2.gz UCUXDHLBNAQKMR-KRWDZBQOSA-N 0 3 395.503 3.676 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1[O-] ZINC000359864269 887608901 /nfs/dbraw/zinc/60/89/01/887608901.db2.gz ATSMWZYILKNCQK-PXAZEXFGSA-N 0 3 395.956 3.819 20 10 GHCDHN COc1cc(Br)cc(CN(C)Cc2ccccc2N(C)C)c1O ZINC000809788070 887841261 /nfs/dbraw/zinc/84/12/61/887841261.db2.gz MRZWNCDBOZSCDD-UHFFFAOYSA-N 0 3 379.298 3.861 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228173 888302978 /nfs/dbraw/zinc/30/29/78/888302978.db2.gz QVUHVMLZOPLHGU-BZSNNMDCSA-N 0 3 386.458 3.830 20 10 GHCDHN C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000763339407 888513347 /nfs/dbraw/zinc/51/33/47/888513347.db2.gz QQUUWOQVQIEJMT-UWJYYQICSA-N 0 3 393.531 3.749 20 10 GHCDHN C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000763339407 888513358 /nfs/dbraw/zinc/51/33/58/888513358.db2.gz QQUUWOQVQIEJMT-UWJYYQICSA-N 0 3 393.531 3.749 20 10 GHCDHN Cc1cc(C(=O)CN2CC[C@@H]3CN(C)C[C@H]32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000794948311 889035891 /nfs/dbraw/zinc/03/58/91/889035891.db2.gz ILVPMPJERZWHBS-FOIQADDNSA-N 0 3 389.902 3.705 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cc(C(F)(F)F)cc(Cl)n3)cc2)CC1 ZINC000873168652 891495795 /nfs/dbraw/zinc/49/57/95/891495795.db2.gz CZHAHEOROGMCEK-UHFFFAOYSA-N 0 3 398.860 3.795 20 10 GHCDHN CCOc1cccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000154327168 891620709 /nfs/dbraw/zinc/62/07/09/891620709.db2.gz NLYZBZLUDHJAKK-VQTJNVASSA-N 0 3 390.911 3.606 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c1[O-] ZINC000814173252 892325342 /nfs/dbraw/zinc/32/53/42/892325342.db2.gz LNAHWXCVEOMVNH-UHFFFAOYSA-N 0 3 387.277 3.605 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)N(C)C)cc1 ZINC001134686858 893201449 /nfs/dbraw/zinc/20/14/49/893201449.db2.gz YLGAAYZJWVLSEN-URXFXBBRSA-N 0 3 379.548 3.839 20 10 GHCDHN Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686556 893201817 /nfs/dbraw/zinc/20/18/17/893201817.db2.gz OLNZIEDMXFERCW-QGZVFWFLSA-N 0 3 395.334 3.796 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(Cc3ccccc3)CCC2)N(C)C)cc1 ZINC001134882255 893505450 /nfs/dbraw/zinc/50/54/50/893505450.db2.gz NPMIRFSRONLOBP-JOCHJYFZSA-N 0 3 379.548 3.885 20 10 GHCDHN Nc1c(Cl)cc(Cl)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877636976 893735467 /nfs/dbraw/zinc/73/54/67/893735467.db2.gz LUFXVPKRSAMONW-UHFFFAOYSA-N 0 3 380.319 3.827 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccc1[O-] ZINC000877757047 893793462 /nfs/dbraw/zinc/79/34/62/893793462.db2.gz CORGMVWKXUJOBS-INIZCTEOSA-N 0 3 390.911 3.607 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877757360 893793668 /nfs/dbraw/zinc/79/36/68/893793668.db2.gz TVUYRLLQBVTYGW-AITUJVMLSA-N 0 3 390.524 3.847 20 10 GHCDHN CC(C)[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000815558042 893996779 /nfs/dbraw/zinc/99/67/79/893996779.db2.gz OCHHMNIIHPVYCB-DNQXCXABSA-N 0 3 395.591 3.928 20 10 GHCDHN O=C1NCCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1Cc1ccccc1 ZINC000816641325 894985113 /nfs/dbraw/zinc/98/51/13/894985113.db2.gz OIVPWJKRNVCGLW-QHCPKHFHSA-N 0 3 377.532 3.610 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941065 895970613 /nfs/dbraw/zinc/97/06/13/895970613.db2.gz IKVKNVORLZIUGO-YVEFUNNKSA-N 0 3 378.314 3.571 20 10 GHCDHN CCCOc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c([O-])c1 ZINC000101593548 897947540 /nfs/dbraw/zinc/94/75/40/897947540.db2.gz JOJVRIHKWWYNRP-UHFFFAOYSA-N 0 3 394.471 3.994 20 10 GHCDHN CC(C)n1ncc2cc(CN(Cc3ccccc3O)C[C@H]3CCCO3)cnc21 ZINC000111233032 898792613 /nfs/dbraw/zinc/79/26/13/898792613.db2.gz WAGYACDTIQILKB-HXUWFJFHSA-N 0 3 380.492 3.899 20 10 GHCDHN COc1cc(CN[C@H](C[S@@](C)=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000825450921 900171723 /nfs/dbraw/zinc/17/17/23/900171723.db2.gz MZFHQGJHXAISBH-NIYFSFCBSA-N 0 3 375.534 3.908 20 10 GHCDHN CCN(Cc1cc(I)c[nH]1)Cc1ccc(N(C)C)cc1 ZINC001144407442 902037450 /nfs/dbraw/zinc/03/74/50/902037450.db2.gz UYYRGJTWSAEOGQ-UHFFFAOYSA-N 0 3 383.277 3.707 20 10 GHCDHN CCOc1ccc(O)c(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000158738222 902056394 /nfs/dbraw/zinc/05/63/94/902056394.db2.gz METKOSDABXEQKU-UHFFFAOYSA-N 0 3 380.488 3.848 20 10 GHCDHN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000846082153 902658508 /nfs/dbraw/zinc/65/85/08/902658508.db2.gz NOPHRWQKKDUBDC-DLBZAZTESA-N 0 3 383.444 3.781 20 10 GHCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000779014117 902837327 /nfs/dbraw/zinc/83/73/27/902837327.db2.gz VUDBNASHKXEENT-AWEZNQCLSA-N 0 3 391.309 3.852 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000779037966 903366684 /nfs/dbraw/zinc/36/66/84/903366684.db2.gz XSZPOHVZYHBZGP-UKRRQHHQSA-N 0 3 384.314 3.842 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000779040768 903375911 /nfs/dbraw/zinc/37/59/11/903375911.db2.gz LPNFGQLYGUYJMT-WBMJQRKESA-N 0 3 382.273 3.856 20 10 GHCDHN O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCN1CC(F)(F)F ZINC000772959868 903447559 /nfs/dbraw/zinc/44/75/59/903447559.db2.gz SYZIIDJWDLNGQG-KRWDZBQOSA-N 0 3 378.394 3.702 20 10 GHCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795435 921170342 /nfs/dbraw/zinc/17/03/42/921170342.db2.gz NLHOVFXLDIWKJI-CXAGYDPISA-N 0 3 391.493 3.543 20 10 GHCDHN CCCCN(CC(=O)NCCc1c(F)cccc1F)Cc1ccccc1O ZINC000801598418 921176152 /nfs/dbraw/zinc/17/61/52/921176152.db2.gz ZMASTCCPEMCSAE-UHFFFAOYSA-N 0 3 376.447 3.631 20 10 GHCDHN COc1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)ccc1S(C)(=O)=O ZINC000177974614 906257532 /nfs/dbraw/zinc/25/75/32/906257532.db2.gz FBRUCLUEWKBHQR-MRXNPFEDSA-N 0 3 388.533 3.550 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CCOc2ccccc2Cl)N(C)C)cc1 ZINC001180179643 909978122 /nfs/dbraw/zinc/97/81/22/909978122.db2.gz QVHGXGNFFXZEKI-IBGZPJMESA-N 0 3 389.927 3.594 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2c[nH]cc2Cc2ccccc2)N(C)C)cc1 ZINC001180180062 909978247 /nfs/dbraw/zinc/97/82/47/909978247.db2.gz UXCGAMBOFGSYQN-QHCPKHFHSA-N 0 3 390.531 3.704 20 10 GHCDHN COC(=O)c1ccc(CN(C)Cc2cc(Br)cc(OC)c2O)cc1 ZINC000091829283 911292600 /nfs/dbraw/zinc/29/26/00/911292600.db2.gz TVTOLSRULVOYPI-UHFFFAOYSA-N 0 3 394.265 3.582 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c2c1c(F)ccc2[O-] ZINC000774396802 911708865 /nfs/dbraw/zinc/70/88/65/911708865.db2.gz NLIBYIXVVWVCJH-RSAASHCRSA-N 0 3 383.385 3.938 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000097490406 915611040 /nfs/dbraw/zinc/61/10/40/915611040.db2.gz PWXZZTGOPFNXIP-OAQYLSRUSA-N 0 3 388.515 3.884 20 10 GHCDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001191214022 917828424 /nfs/dbraw/zinc/82/84/24/917828424.db2.gz LNHPLJKTUHRUMH-PKTZIBPZSA-N 0 3 379.548 3.945 20 10 GHCDHN CCc1nn(C)c(Cl)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000116338035 919504821 /nfs/dbraw/zinc/50/48/21/919504821.db2.gz PLRLTQXGEFDNGI-UHFFFAOYSA-N 0 3 398.885 3.996 20 10 GHCDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000367569406 922208194 /nfs/dbraw/zinc/20/81/94/922208194.db2.gz HSOBFFUVHCAVLE-VGOFRKELSA-N 0 3 379.504 3.672 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1[O-] ZINC000368040560 922443809 /nfs/dbraw/zinc/44/38/09/922443809.db2.gz JHUZQBMGGUIJSB-UHFFFAOYSA-N 0 3 382.291 3.730 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000903360199 922957500 /nfs/dbraw/zinc/95/75/00/922957500.db2.gz JXUNYDPAGRPFTG-UGSOOPFHSA-N 0 3 394.313 3.553 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1[O-] ZINC000827320293 925269224 /nfs/dbraw/zinc/26/92/24/925269224.db2.gz JQOBWXPSDHGFCG-RHSMWYFYSA-N 0 3 378.314 3.698 20 10 GHCDHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000827544518 925782730 /nfs/dbraw/zinc/78/27/30/925782730.db2.gz DACPUPJUHPVJRW-LJQANCHMSA-N 0 3 386.565 3.572 20 10 GHCDHN COc1ccc(-n2c(C)cc(CN(C)Cc3ccc(C(N)=O)cc3)c2C)cc1 ZINC000749813195 927295167 /nfs/dbraw/zinc/29/51/67/927295167.db2.gz WRUVHWOIJLHDIP-UHFFFAOYSA-N 0 3 377.488 3.834 20 10 GHCDHN COC1CCN(CCNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000751059284 928007777 /nfs/dbraw/zinc/00/77/77/928007777.db2.gz ZFTBDEGTBCTTAB-UHFFFAOYSA-N 0 3 383.536 3.552 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c([O-])c1 ZINC000751505329 928228074 /nfs/dbraw/zinc/22/80/74/928228074.db2.gz CCNOSQALQFVKET-KRWDZBQOSA-N 0 3 389.801 3.984 20 10 GHCDHN CC(C)CNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753538419 929398850 /nfs/dbraw/zinc/39/88/50/929398850.db2.gz PJQYZWGWLOUBQQ-UHFFFAOYSA-N 0 3 396.531 3.955 20 10 GHCDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1(C)C ZINC000783724445 931631117 /nfs/dbraw/zinc/63/11/17/931631117.db2.gz XFPHOKAGZMALFU-FYYLOGMGSA-N 0 3 385.504 3.627 20 10 GHCDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000783981745 931739823 /nfs/dbraw/zinc/73/98/23/931739823.db2.gz JLCAZDSXKAVYLE-UHFFFAOYSA-N 0 3 379.464 3.595 20 10 GHCDHN COc1ccccc1CCNC(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000798000991 932485607 /nfs/dbraw/zinc/48/56/07/932485607.db2.gz FABVAHVBBQYXFD-LJQANCHMSA-N 0 3 395.547 3.695 20 10 GHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929972748 933737285 /nfs/dbraw/zinc/73/72/85/933737285.db2.gz USZVFHIXPSLENP-NFBKMPQASA-N 0 3 381.472 3.862 20 10 GHCDHN Cc1cc(C(=O)CN2CCC[C@H]2C2CCOCC2)c(C)n1-c1ccc(F)cn1 ZINC000828735817 935696823 /nfs/dbraw/zinc/69/68/23/935696823.db2.gz BLCKTYIGHFUONA-FQEVSTJZSA-N 0 3 385.483 3.702 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276592 1032717289 /nfs/dbraw/zinc/71/72/89/1032717289.db2.gz NZEWBNFFAWRIEW-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276592 1032717299 /nfs/dbraw/zinc/71/72/99/1032717299.db2.gz NZEWBNFFAWRIEW-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)CC2 ZINC000834913465 1021676548 /nfs/dbraw/zinc/67/65/48/1021676548.db2.gz PTWDVZXLPKKODW-RCCFBDPRSA-N 0 3 376.422 3.999 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000835026320 1021781519 /nfs/dbraw/zinc/78/15/19/1021781519.db2.gz USGGBTIJXUMGQG-LZVBJTEYSA-N 0 3 379.552 3.963 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000835025373 1021782073 /nfs/dbraw/zinc/78/20/73/1021782073.db2.gz IPPVJHUCSRKAAZ-ARJAWSKDSA-N 0 3 395.522 3.933 20 10 GHCDHN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000835037935 1021794903 /nfs/dbraw/zinc/79/49/03/1021794903.db2.gz ZZAVOFQGIKICCU-CZQLGGELSA-N 0 3 395.547 3.974 20 10 GHCDHN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(C)ccc1O ZINC001140623682 1022097147 /nfs/dbraw/zinc/09/71/47/1022097147.db2.gz POQLQQJHQVRGDV-IBGZPJMESA-N 0 3 399.487 3.770 20 10 GHCDHN Cc1cc(Br)ccc1N1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140747990 1022421978 /nfs/dbraw/zinc/42/19/78/1022421978.db2.gz QFXOSVZOXNYPHI-UHFFFAOYSA-N 0 3 391.309 3.799 20 10 GHCDHN NC(=O)CN(Cc1ccc(N2CCCCC2)c(Br)c1)C1CCCC1 ZINC001204757599 1033071038 /nfs/dbraw/zinc/07/10/38/1033071038.db2.gz XAKPZQIPXPJSGM-UHFFFAOYSA-N 0 3 394.357 3.669 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001140853393 1022703721 /nfs/dbraw/zinc/70/37/21/1022703721.db2.gz WJSBKXKSHPONDN-UHFFFAOYSA-N 0 3 377.529 3.681 20 10 GHCDHN CCOc1cccc(N2CCN(Cc3ccc(N(CC)CC)cc3O)CC2)c1 ZINC001140856010 1022710917 /nfs/dbraw/zinc/71/09/17/1022710917.db2.gz ORYXXBWZNOIYNL-UHFFFAOYSA-N 0 3 383.536 3.959 20 10 GHCDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000754542331 1022760482 /nfs/dbraw/zinc/76/04/82/1022760482.db2.gz URKIOWOMHFCKFM-LJQANCHMSA-N 0 3 380.448 3.972 20 10 GHCDHN CN(C)c1ccc(CN2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c(Cl)c1 ZINC001140924016 1022900435 /nfs/dbraw/zinc/90/04/35/1022900435.db2.gz KBGNIWLLLBWQFU-IRXDYDNUSA-N 0 3 389.952 3.672 20 10 GHCDHN Cc1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c(O)c1 ZINC001140950467 1022973456 /nfs/dbraw/zinc/97/34/56/1022973456.db2.gz UTGNNIDIGLQBQF-NZQKXSOJSA-N 0 3 382.504 3.684 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030726 1023295279 /nfs/dbraw/zinc/29/52/79/1023295279.db2.gz IPNPPJPJRZHBPC-SJORKVTESA-N 0 3 394.512 3.677 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030726 1023295285 /nfs/dbraw/zinc/29/52/85/1023295285.db2.gz IPNPPJPJRZHBPC-SJORKVTESA-N 0 3 394.512 3.677 20 10 GHCDHN CC(C)(C)OC(=O)NC1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074832 1023434376 /nfs/dbraw/zinc/43/43/76/1023434376.db2.gz UUTMLMYEGNJUGK-UHFFFAOYSA-N 0 3 385.552 3.875 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756594540 1023727658 /nfs/dbraw/zinc/72/76/58/1023727658.db2.gz PDHMJWMPFAJOCW-LQJIQPLVSA-N 0 3 384.495 3.552 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756683026 1023772888 /nfs/dbraw/zinc/77/28/88/1023772888.db2.gz DSZFWIOIUWZXBL-LIRRHRJNSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756733358 1023792116 /nfs/dbraw/zinc/79/21/16/1023792116.db2.gz QHTIPTIGXHDDQJ-XFBKBZSESA-N 0 3 380.463 3.826 20 10 GHCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756768797 1023807864 /nfs/dbraw/zinc/80/78/64/1023807864.db2.gz MMPTXJIPQUYPEN-JJRVBVJISA-N 0 3 377.481 3.922 20 10 GHCDHN COc1cccc(CN(C)Cc2cc3c4c(c2O)CCCN4CCC3)c1OC ZINC001138341563 1024702186 /nfs/dbraw/zinc/70/21/86/1024702186.db2.gz HWTCXQYUSIFLES-UHFFFAOYSA-N 0 3 382.504 3.740 20 10 GHCDHN CN1CCCc2cc(CN3CCC[C@@H](N4Cc5ccccc5C4=O)C3)ccc21 ZINC001138359121 1024722916 /nfs/dbraw/zinc/72/29/16/1024722916.db2.gz LJLVISOFEFZKJM-OAQYLSRUSA-N 0 3 375.516 3.689 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CCOC[C@@H]3COC)CC2)c(OC)c1 ZINC001138389365 1024765679 /nfs/dbraw/zinc/76/56/79/1024765679.db2.gz NDQSBUAHVJZUNX-FQEVSTJZSA-N 0 3 390.568 3.807 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC2)OC(=O)c2ncccc23)c(OC)c1 ZINC001138390368 1024766889 /nfs/dbraw/zinc/76/68/89/1024766889.db2.gz UHKYUSBACNZVCS-UHFFFAOYSA-N 0 3 395.503 3.598 20 10 GHCDHN c1ccc2c(c1)CCC[C@@H]2N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499610 1024933086 /nfs/dbraw/zinc/93/30/86/1024933086.db2.gz VNXTXTHNIVCETA-VWLOTQADSA-N 0 3 391.559 3.718 20 10 GHCDHN OC[C@H](CC(F)F)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000839063764 1025553129 /nfs/dbraw/zinc/55/31/29/1025553129.db2.gz UEXGLSOVIPPKRZ-ZDUSSCGKSA-N 0 3 377.273 3.545 20 10 GHCDHN [O-]c1cccnc1C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839067915 1025556821 /nfs/dbraw/zinc/55/68/21/1025556821.db2.gz JAEAMKPCLCUDKJ-UHFFFAOYSA-N 0 3 376.298 3.830 20 10 GHCDHN COCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139673832 1026528292 /nfs/dbraw/zinc/52/82/92/1026528292.db2.gz LDSACCXERLZSPK-LJQANCHMSA-N 0 3 391.556 3.519 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc(C)nc4)C3)C2)cc1 ZINC001139931282 1026739490 /nfs/dbraw/zinc/73/94/90/1026739490.db2.gz PDHNXLYUMCNYGC-HSZRJFAPSA-N 0 3 381.520 3.518 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001140063719 1026843725 /nfs/dbraw/zinc/84/37/25/1026843725.db2.gz XAVXGGVYJLDEIG-UHFFFAOYSA-N 0 3 380.257 3.777 20 10 GHCDHN CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccccc3[O-])CC2)Oc2ccccc21 ZINC001203552923 1027430679 /nfs/dbraw/zinc/43/06/79/1027430679.db2.gz VMTHSICGSPCICF-IBGZPJMESA-N 0 3 394.515 3.771 20 10 GHCDHN CCOc1cccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC001203603455 1027468625 /nfs/dbraw/zinc/46/86/25/1027468625.db2.gz QDIVEKFENWBMLI-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC001203603455 1027468638 /nfs/dbraw/zinc/46/86/38/1027468638.db2.gz QDIVEKFENWBMLI-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)c([O-])c1 ZINC001203623423 1027486549 /nfs/dbraw/zinc/48/65/49/1027486549.db2.gz QCZLETFLOYOWLK-FQEVSTJZSA-N 0 3 389.446 3.534 20 10 GHCDHN COc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)c([O-])c1 ZINC001203623423 1027486562 /nfs/dbraw/zinc/48/65/62/1027486562.db2.gz QCZLETFLOYOWLK-FQEVSTJZSA-N 0 3 389.446 3.534 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001203935773 1027729235 /nfs/dbraw/zinc/72/92/35/1027729235.db2.gz CRMMCZLYMZKYTP-MRXNPFEDSA-N 0 3 380.414 3.605 20 10 GHCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2n(n1)CCC2 ZINC000840729748 1027769997 /nfs/dbraw/zinc/76/99/97/1027769997.db2.gz TUCLQFURYRWERQ-GJZGRUSLSA-N 0 3 376.451 3.750 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2n(n1)CCC2 ZINC000840729755 1027771895 /nfs/dbraw/zinc/77/18/95/1027771895.db2.gz TUCLQFURYRWERQ-LSDHHAIUSA-N 0 3 376.451 3.750 20 10 GHCDHN CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000840761491 1027800099 /nfs/dbraw/zinc/80/00/99/1027800099.db2.gz YHPQAIYPKDLLAN-FQEVSTJZSA-N 0 3 388.458 3.977 20 10 GHCDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000841073722 1028092859 /nfs/dbraw/zinc/09/28/59/1028092859.db2.gz OXXMWQRKHNLVKD-WMLDXEAASA-N 0 3 393.846 3.576 20 10 GHCDHN CN(c1ccc(CNC(=O)Nc2cnc3c(c2)CNCC3)cc1)C1CCCCC1 ZINC000841321327 1028425168 /nfs/dbraw/zinc/42/51/68/1028425168.db2.gz GFBZKZCKZIZTHY-UHFFFAOYSA-N 0 3 393.535 3.818 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccccc1[O-] ZINC000179899704 1028831215 /nfs/dbraw/zinc/83/12/15/1028831215.db2.gz SUFJTGJJKJZJTI-BLLLJJGKSA-N 0 3 380.366 3.747 20 10 GHCDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@@H]1SC ZINC000842922212 1029686991 /nfs/dbraw/zinc/68/69/91/1029686991.db2.gz AKSBBMYKTFOBQY-CJODITQLSA-N 0 3 384.973 3.736 20 10 GHCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)NCc1cccs1 ZINC000843428189 1029999230 /nfs/dbraw/zinc/99/92/30/1029999230.db2.gz RKKWBLCKGOSVRV-OAHLLOKOSA-N 0 3 397.338 3.709 20 10 GHCDHN CC1=CC(=O)C=C(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001218128978 1030787932 /nfs/dbraw/zinc/78/79/32/1030787932.db2.gz WBBGXHCBTOKSLA-OWJBNAQGSA-N 0 3 398.419 3.922 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(C)c1O ZINC001276959541 1030947855 /nfs/dbraw/zinc/94/78/55/1030947855.db2.gz TZIVJKGYEURNLY-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(C)c1[O-] ZINC001276959541 1030947865 /nfs/dbraw/zinc/94/78/65/1030947865.db2.gz TZIVJKGYEURNLY-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)cc(C)c1[O-] ZINC001276959541 1030947868 /nfs/dbraw/zinc/94/78/68/1030947868.db2.gz TZIVJKGYEURNLY-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)N(C)C)cc1 ZINC001218818833 1031096193 /nfs/dbraw/zinc/09/61/93/1031096193.db2.gz MGNVJKQAIFOXGU-UGKGYDQZSA-N 0 3 396.535 3.681 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001220212693 1031839847 /nfs/dbraw/zinc/83/98/47/1031839847.db2.gz SJCKZCKOLKNKAR-AEFFLSMTSA-N 0 3 381.863 3.561 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccncc4C)C3)C2)cc1 ZINC001205835522 1033599341 /nfs/dbraw/zinc/59/93/41/1033599341.db2.gz SCUFYKQJWMXWSR-QHCPKHFHSA-N 0 3 381.520 3.518 20 10 GHCDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001230195750 1033939554 /nfs/dbraw/zinc/93/95/54/1033939554.db2.gz QIGKTGRHAOGMRO-FQEVSTJZSA-N 0 3 388.600 3.900 20 10 GHCDHN c1cnn(CCCN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)c1 ZINC001208086313 1034728790 /nfs/dbraw/zinc/72/87/90/1034728790.db2.gz KFKBORKEUJIBDA-UHFFFAOYSA-N 0 3 387.487 3.904 20 10 GHCDHN CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC001231586848 1034739288 /nfs/dbraw/zinc/73/92/88/1034739288.db2.gz MTKOEMRDTYKBOW-IBGZPJMESA-N 0 3 396.531 3.785 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001231587595 1034741262 /nfs/dbraw/zinc/74/12/62/1034741262.db2.gz NOOTWSUUDBUDLG-QPTUXGOLSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001231587595 1034741273 /nfs/dbraw/zinc/74/12/73/1034741273.db2.gz NOOTWSUUDBUDLG-QPTUXGOLSA-N 0 3 390.483 3.889 20 10 GHCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001231590048 1034743266 /nfs/dbraw/zinc/74/32/66/1034743266.db2.gz ZQNNAEIBSIXSOH-NRFANRHFSA-N 0 3 376.500 3.878 20 10 GHCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001231590048 1034743277 /nfs/dbraw/zinc/74/32/77/1034743277.db2.gz ZQNNAEIBSIXSOH-NRFANRHFSA-N 0 3 376.500 3.878 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001231589241 1034744202 /nfs/dbraw/zinc/74/42/02/1034744202.db2.gz ZEAZDDAFDKZDEA-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001231589241 1034744218 /nfs/dbraw/zinc/74/42/18/1034744218.db2.gz ZEAZDDAFDKZDEA-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN Cc1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1O ZINC001231592498 1034745475 /nfs/dbraw/zinc/74/54/75/1034745475.db2.gz NCRRBCBGUODEKJ-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN Cc1nc(COC[C@@H]2Cn3nccc3CN(Cc3cccc(C)c3O)C2)cs1 ZINC001231593373 1034747211 /nfs/dbraw/zinc/74/72/11/1034747211.db2.gz VCRXXIGGTYJCSM-KRWDZBQOSA-N 0 3 398.532 3.511 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001231853666 1034943806 /nfs/dbraw/zinc/94/38/06/1034943806.db2.gz YXCXWZXDCVXWGM-UHFFFAOYSA-N 0 3 379.504 3.637 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)ccc2ccccc21 ZINC001231878846 1034962956 /nfs/dbraw/zinc/96/29/56/1034962956.db2.gz QQMSCUALYJDIGV-WMTXJRDZSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)ccc2ccccc21 ZINC001231878846 1034962961 /nfs/dbraw/zinc/96/29/61/1034962961.db2.gz QQMSCUALYJDIGV-WMTXJRDZSA-N 0 3 390.483 3.889 20 10 GHCDHN COc1ccc(OC)c(CN2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC001231882805 1034966022 /nfs/dbraw/zinc/96/60/22/1034966022.db2.gz VOYKZODEFYHLOH-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN c1[nH]nc2c1cccc2CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001231974833 1035017491 /nfs/dbraw/zinc/01/74/91/1035017491.db2.gz QZVUOFKKTVCYTK-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN COc1cc(I)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC001248391681 1035803493 /nfs/dbraw/zinc/80/34/93/1035803493.db2.gz XFXDOTKYVLEMLA-VXGBXAGGSA-N 0 3 387.261 3.627 20 10 GHCDHN Cc1nc(CN2CCc3c(Cl)c(O)c(O)cc3[C@@H](c3ccc(O)cc3)C2)c[nH]1 ZINC001232465222 1038248929 /nfs/dbraw/zinc/24/89/29/1038248929.db2.gz YUUAOPVNUUDGLZ-GOSISDBHSA-N 0 3 399.878 3.679 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233107384 1038896717 /nfs/dbraw/zinc/89/67/17/1038896717.db2.gz AZIKCFNZMIGDAQ-BEFAXECRSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107384 1038896730 /nfs/dbraw/zinc/89/67/30/1038896730.db2.gz AZIKCFNZMIGDAQ-BEFAXECRSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107384 1038896751 /nfs/dbraw/zinc/89/67/51/1038896751.db2.gz AZIKCFNZMIGDAQ-BEFAXECRSA-N 0 3 398.341 3.871 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1[O-] ZINC001233287925 1039069312 /nfs/dbraw/zinc/06/93/12/1039069312.db2.gz NPFOUSMUFBDXEJ-XJKSGUPXSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1[O-] ZINC001233287925 1039069326 /nfs/dbraw/zinc/06/93/26/1039069326.db2.gz NPFOUSMUFBDXEJ-XJKSGUPXSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cccnc1O[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233775720 1039606253 /nfs/dbraw/zinc/60/62/53/1039606253.db2.gz AWFJWPPSAORYJI-CQSZACIVSA-N 0 3 398.381 3.738 20 10 GHCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253427547 1039623413 /nfs/dbraw/zinc/62/34/13/1039623413.db2.gz RVUPKXKXWHJPEC-FQEVSTJZSA-N 0 3 385.504 3.730 20 10 GHCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253427547 1039623424 /nfs/dbraw/zinc/62/34/24/1039623424.db2.gz RVUPKXKXWHJPEC-FQEVSTJZSA-N 0 3 385.504 3.730 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2ccccc21 ZINC001234569918 1040138558 /nfs/dbraw/zinc/13/85/58/1040138558.db2.gz ULRGUAPAJUZALE-OAQYLSRUSA-N 0 3 377.440 3.826 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2ccccc21 ZINC001234569918 1040138567 /nfs/dbraw/zinc/13/85/67/1040138567.db2.gz ULRGUAPAJUZALE-OAQYLSRUSA-N 0 3 377.440 3.826 20 10 GHCDHN COCCN1CC[C@@]2(CCC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1=O ZINC001234987037 1040483265 /nfs/dbraw/zinc/48/32/65/1040483265.db2.gz DOBQGUWXQJGQOQ-XMMPIXPASA-N 0 3 394.515 3.520 20 10 GHCDHN COCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1=O ZINC001234987037 1040483274 /nfs/dbraw/zinc/48/32/74/1040483274.db2.gz DOBQGUWXQJGQOQ-XMMPIXPASA-N 0 3 394.515 3.520 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)cccc1-c1ccccc1 ZINC001234996282 1040490055 /nfs/dbraw/zinc/49/00/55/1040490055.db2.gz ZHMHPUCBPPGTNE-UHFFFAOYSA-N 0 3 399.498 3.906 20 10 GHCDHN [O-]c1c(C[N@H+]2CCCn3cnc(Cn4cccn4)c3C2)cccc1-c1ccccc1 ZINC001234996282 1040490065 /nfs/dbraw/zinc/49/00/65/1040490065.db2.gz ZHMHPUCBPPGTNE-UHFFFAOYSA-N 0 3 399.498 3.906 20 10 GHCDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001234997960 1040492516 /nfs/dbraw/zinc/49/25/16/1040492516.db2.gz DCRZIXATNREUTQ-GOSISDBHSA-N 0 3 377.444 3.511 20 10 GHCDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001234997960 1040492524 /nfs/dbraw/zinc/49/25/24/1040492524.db2.gz DCRZIXATNREUTQ-GOSISDBHSA-N 0 3 377.444 3.511 20 10 GHCDHN [O-]c1c(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1C(F)(F)F ZINC001235376346 1040887349 /nfs/dbraw/zinc/88/73/49/1040887349.db2.gz FPAUYTGVNKVBJS-QUCCMNQESA-N 0 3 376.422 3.990 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)[C@@H]2CCc3ccccc32)N(C)C)cc1 ZINC001256232135 1041667312 /nfs/dbraw/zinc/66/73/12/1041667312.db2.gz LEYHQFNPKUVPBY-YADHBBJMSA-N 0 3 380.536 3.684 20 10 GHCDHN Cc1ccc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001256236634 1041670385 /nfs/dbraw/zinc/67/03/85/1041670385.db2.gz IVRKZYQJRXVFAM-QFIPXVFZSA-N 0 3 382.552 3.814 20 10 GHCDHN Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001256236683 1041670718 /nfs/dbraw/zinc/67/07/18/1041670718.db2.gz JYLBLFYMODHVOG-XXBNENTESA-N 0 3 396.579 3.936 20 10 GHCDHN Cc1cc([O-])c(CN(Cc2cccnc2)[C@H]2CCC[NH2+]C2)cc1Br ZINC001236479684 1041733948 /nfs/dbraw/zinc/73/39/48/1041733948.db2.gz WVGFZOSCJSIQNO-KRWDZBQOSA-N 0 3 390.325 3.612 20 10 GHCDHN Cc1cc([O-])c(CN(Cc2ccccn2)[C@H]2CCC[NH2+]C2)cc1Br ZINC001236489344 1041737490 /nfs/dbraw/zinc/73/74/90/1041737490.db2.gz WWVNPDLUSBWPSX-KRWDZBQOSA-N 0 3 390.325 3.612 20 10 GHCDHN COc1cc(O)c(CN2CCC(NC(=O)Nc3cccc(C)c3)CC2)cc1OC ZINC001236750905 1041872246 /nfs/dbraw/zinc/87/22/46/1041872246.db2.gz AHQWBXIJCCXBPW-UHFFFAOYSA-N 0 3 399.491 3.504 20 10 GHCDHN CCc1ccc(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c(O)c1 ZINC001236786486 1041891792 /nfs/dbraw/zinc/89/17/92/1041891792.db2.gz DYGLSYMHWCYTKE-LVCYWYKZSA-N 0 3 388.533 3.607 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)c([O-])c1 ZINC001236786987 1041893282 /nfs/dbraw/zinc/89/32/82/1041893282.db2.gz IQOIPJCVSAEICU-GGAORHGYSA-N 0 3 382.504 3.608 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)c([O-])c1 ZINC001236786987 1041893292 /nfs/dbraw/zinc/89/32/92/1041893292.db2.gz IQOIPJCVSAEICU-GGAORHGYSA-N 0 3 382.504 3.608 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCC(Oc2ncccn2)CC1 ZINC001236790058 1041895428 /nfs/dbraw/zinc/89/54/28/1041895428.db2.gz ULBJAWXPJAQRNV-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001236811174 1041911103 /nfs/dbraw/zinc/91/11/03/1041911103.db2.gz MIZMJTBJSDADMN-XMMPIXPASA-N 0 3 394.515 3.856 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001236811174 1041911107 /nfs/dbraw/zinc/91/11/07/1041911107.db2.gz MIZMJTBJSDADMN-XMMPIXPASA-N 0 3 394.515 3.856 20 10 GHCDHN CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236829217 1041920049 /nfs/dbraw/zinc/92/00/49/1041920049.db2.gz GUHSWHVFFTVEME-JOCHJYFZSA-N 0 3 396.531 3.689 20 10 GHCDHN O=C(NC1CCC1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236833926 1041921998 /nfs/dbraw/zinc/92/19/98/1041921998.db2.gz ZGSXNGJMGLXZFF-HXUWFJFHSA-N 0 3 394.515 3.585 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CCC(CF)CC3)cc2C1 ZINC001236846276 1041926551 /nfs/dbraw/zinc/92/65/51/1041926551.db2.gz RRKXONDPSVPBLH-UHFFFAOYSA-N 0 3 394.487 3.703 20 10 GHCDHN F[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1N1CCCCC1 ZINC001236927959 1041961356 /nfs/dbraw/zinc/96/13/56/1041961356.db2.gz ZPTFKSFEDABZFU-LEWJYISDSA-N 0 3 395.950 3.575 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c([O-])c1 ZINC001237051001 1042009113 /nfs/dbraw/zinc/00/91/13/1042009113.db2.gz IGPDAWHUEFVPTC-UHFFFAOYSA-N 0 3 393.531 3.925 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(C(C)C)cc2[O-])n1 ZINC001237050433 1042009323 /nfs/dbraw/zinc/00/93/23/1042009323.db2.gz FHPHFIWCKWWWFJ-LEWJYISDSA-N 0 3 379.504 3.594 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(C(C)C)cc2[O-])n1 ZINC001237050433 1042009330 /nfs/dbraw/zinc/00/93/30/1042009330.db2.gz FHPHFIWCKWWWFJ-LEWJYISDSA-N 0 3 379.504 3.594 20 10 GHCDHN CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058442 1042013854 /nfs/dbraw/zinc/01/38/54/1042013854.db2.gz ZWVPRENNMQVXNS-UHFFFAOYSA-N 0 3 393.446 3.985 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001237080063 1042025419 /nfs/dbraw/zinc/02/54/19/1042025419.db2.gz RJBBFHXPRZSYJD-GJZGRUSLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001237080063 1042025424 /nfs/dbraw/zinc/02/54/24/1042025424.db2.gz RJBBFHXPRZSYJD-GJZGRUSLSA-N 0 3 378.303 3.658 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@H]1c1ccccc1 ZINC001237140319 1042061004 /nfs/dbraw/zinc/06/10/04/1042061004.db2.gz DXWAIBUJEHXGRS-DLBZAZTESA-N 0 3 379.378 3.800 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@H]1c1ccccc1 ZINC001237140319 1042061009 /nfs/dbraw/zinc/06/10/09/1042061009.db2.gz DXWAIBUJEHXGRS-DLBZAZTESA-N 0 3 379.378 3.800 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CC3(C2)CCN(C(C)=O)C3)c(O)c1 ZINC001237207250 1042090762 /nfs/dbraw/zinc/09/07/62/1042090762.db2.gz BILGECVGIGEBAA-UHFFFAOYSA-N 0 3 387.568 3.853 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001237485761 1042229813 /nfs/dbraw/zinc/22/98/13/1042229813.db2.gz SFJKCKGWMNTGQG-UHFFFAOYSA-N 0 3 391.519 3.723 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001237488760 1042231622 /nfs/dbraw/zinc/23/16/22/1042231622.db2.gz PBGGQUACFPERTF-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001237488760 1042231625 /nfs/dbraw/zinc/23/16/25/1042231625.db2.gz PBGGQUACFPERTF-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cc([O-])c(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)cc1Br ZINC001237681590 1042323178 /nfs/dbraw/zinc/32/31/78/1042323178.db2.gz JUMPNIFACBZSQW-UHFFFAOYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3cccnc3)CC2)cc1Br ZINC001237683871 1042324672 /nfs/dbraw/zinc/32/46/72/1042324672.db2.gz DMUUCSLGHMTWAD-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCCN(c3cccnc3)CC2)cc1Br ZINC001237683871 1042324676 /nfs/dbraw/zinc/32/46/76/1042324676.db2.gz DMUUCSLGHMTWAD-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN COc1cc(CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237685787 1042326131 /nfs/dbraw/zinc/32/61/31/1042326131.db2.gz UORWEKIUPXGSIX-OAQYLSRUSA-N 0 3 394.512 3.536 20 10 GHCDHN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]12 ZINC001238061178 1042479001 /nfs/dbraw/zinc/47/90/01/1042479001.db2.gz NOECCTUYEMVTHS-GGAORHGYSA-N 0 3 382.479 3.604 20 10 GHCDHN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]12 ZINC001238061178 1042479002 /nfs/dbraw/zinc/47/90/02/1042479002.db2.gz NOECCTUYEMVTHS-GGAORHGYSA-N 0 3 382.479 3.604 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1[O-] ZINC001238062043 1042479170 /nfs/dbraw/zinc/47/91/70/1042479170.db2.gz SQBDLRHWDRWSHP-OAQYLSRUSA-N 0 3 390.405 3.747 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1[O-] ZINC001238062043 1042479173 /nfs/dbraw/zinc/47/91/73/1042479173.db2.gz SQBDLRHWDRWSHP-OAQYLSRUSA-N 0 3 390.405 3.747 20 10 GHCDHN Cc1cc(F)cc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001238068106 1042480543 /nfs/dbraw/zinc/48/05/43/1042480543.db2.gz UGODCTAHDAKKCO-CQSZACIVSA-N 0 3 385.361 3.692 20 10 GHCDHN CN(Cc1cc(F)c(I)c(F)c1)Cc1ccccc1O ZINC001238578633 1042645865 /nfs/dbraw/zinc/64/58/65/1042645865.db2.gz IOVCDJWTFUWRCA-UHFFFAOYSA-N 0 3 389.183 3.907 20 10 GHCDHN O=[N+]([O-])c1cc(CNC[C@@H]2COc3ccccc3O2)ccc1N1CCCCC1 ZINC000743625023 1045395139 /nfs/dbraw/zinc/39/51/39/1045395139.db2.gz UUFRLDSYSPXNTF-QGZVFWFLSA-N 0 3 383.448 3.515 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2[nH]ccc2-c2ccccc2)N(C)C)cc1 ZINC001304769748 1047764228 /nfs/dbraw/zinc/76/42/28/1047764228.db2.gz ZWTGHVDUOSCNEG-OAQYLSRUSA-N 0 3 376.504 3.780 20 10 GHCDHN CC/C(=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001463282404 1070961558 /nfs/dbraw/zinc/96/15/58/1070961558.db2.gz OCLNGGDTUMKLJS-NGIFANIDSA-N 0 3 395.547 3.974 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)N(C)C)cc1 ZINC001463284676 1070963036 /nfs/dbraw/zinc/96/30/36/1070963036.db2.gz ROOUJVNJKAKDDF-QKNQBKEWSA-N 0 3 387.474 3.553 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@H]2CCc3ccccc32)N(C)C)cc1 ZINC001289602276 1049557084 /nfs/dbraw/zinc/55/70/84/1049557084.db2.gz NFGZCBGPFSNHSH-AUSIDOKSSA-N 0 3 379.548 3.982 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC001308289802 1049939451 /nfs/dbraw/zinc/93/94/51/1049939451.db2.gz KWDKWWOXBIVDDC-JMUQELJHSA-N 0 3 377.532 3.812 20 10 GHCDHN CN(C)c1ccc(/C=C/CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC001308422849 1049972847 /nfs/dbraw/zinc/97/28/47/1049972847.db2.gz SAWBLBCDKMANPT-GNAXCBTBSA-N 0 3 375.310 3.852 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001311446454 1052156464 /nfs/dbraw/zinc/15/64/64/1052156464.db2.gz DZDQOGZMXFWNPL-NFBKMPQASA-N 0 3 394.563 3.775 20 10 GHCDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001311578783 1052260899 /nfs/dbraw/zinc/26/08/99/1052260899.db2.gz UBGAPPASNAKTMR-QFIPXVFZSA-N 0 3 392.547 3.703 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001311989989 1052517278 /nfs/dbraw/zinc/51/72/78/1052517278.db2.gz UVGDLUYNTRTZKJ-PMACEKPBSA-N 0 3 396.579 3.812 20 10 GHCDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)N(C)C)cc1 ZINC001312805127 1052876315 /nfs/dbraw/zinc/87/63/15/1052876315.db2.gz GDGZTOWCOYHGMP-OXJNMPFZSA-N 0 3 385.508 3.843 20 10 GHCDHN Cn1ccnc1C[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001320181280 1055695370 /nfs/dbraw/zinc/69/53/70/1055695370.db2.gz WQXIGDPBBHVTFK-GOSISDBHSA-N 0 3 397.523 3.773 20 10 GHCDHN COc1c2ccccc2oc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320685188 1055927631 /nfs/dbraw/zinc/92/76/31/1055927631.db2.gz KELGSVOWOOIOPE-UHFFFAOYSA-N 0 3 383.467 3.622 20 10 GHCDHN COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])cc1 ZINC000848517849 1057144786 /nfs/dbraw/zinc/14/47/86/1057144786.db2.gz GXBXAMVCJOAYQI-BDJLRTHQSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1[O-] ZINC000848524839 1057148944 /nfs/dbraw/zinc/14/89/44/1057148944.db2.gz ICKYDDRFFJCFOV-CYBMUJFWSA-N 0 3 399.329 3.607 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000848528101 1057150980 /nfs/dbraw/zinc/15/09/80/1057150980.db2.gz KNNPVYYHBULWCL-HWPZZCPQSA-N 0 3 386.311 3.783 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848929114 1057430118 /nfs/dbraw/zinc/43/01/18/1057430118.db2.gz ASKHEQBORUWZDU-JOCHJYFZSA-N 0 3 396.531 3.658 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848929114 1057430128 /nfs/dbraw/zinc/43/01/28/1057430128.db2.gz ASKHEQBORUWZDU-JOCHJYFZSA-N 0 3 396.531 3.658 20 10 GHCDHN CC(C)COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001439958823 1058364267 /nfs/dbraw/zinc/36/42/67/1058364267.db2.gz PHPWDFHQHFXBMV-JOCHJYFZSA-N 0 3 383.536 3.820 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2SCCc3sccc32)N(C)C)cc1 ZINC001439960511 1058366919 /nfs/dbraw/zinc/36/69/19/1058366919.db2.gz MCFNJOXJWMEILY-MJGOQNOKSA-N 0 3 389.590 3.564 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1[O-] ZINC001339285761 1059069228 /nfs/dbraw/zinc/06/92/28/1059069228.db2.gz DWSMYZVOOZMMMD-DZGCQCFKSA-N 0 3 386.330 3.539 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3N)c2)CC1 ZINC001448054674 1060091109 /nfs/dbraw/zinc/09/11/09/1060091109.db2.gz NIZQLJIDRTZYCS-UHFFFAOYSA-N 0 3 393.318 3.970 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001351373459 1064415097 /nfs/dbraw/zinc/41/50/97/1064415097.db2.gz GITYEGBDDDVXTP-UHFFFAOYSA-N 0 3 377.525 3.867 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001351373459 1064415108 /nfs/dbraw/zinc/41/51/08/1064415108.db2.gz GITYEGBDDDVXTP-UHFFFAOYSA-N 0 3 377.525 3.867 20 10 GHCDHN CCc1cccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1[O-] ZINC001464443395 1065012058 /nfs/dbraw/zinc/01/20/58/1065012058.db2.gz KLMGPPMRTQXOLR-UHFFFAOYSA-N 0 3 379.504 3.739 20 10 GHCDHN CCC1(c2ccccc2)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001471547089 1073125762 /nfs/dbraw/zinc/12/57/62/1073125762.db2.gz ILCCHZBBSHFDCO-JOCHJYFZSA-N 0 3 394.563 3.729 20 10 GHCDHN Cc1cccc(CC2CN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C2)c1 ZINC001471548495 1073127187 /nfs/dbraw/zinc/12/71/87/1073127187.db2.gz UMKNALAGKYZBIU-HSZRJFAPSA-N 0 3 394.563 3.548 20 10 GHCDHN C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1[O-] ZINC001473724495 1074109071 /nfs/dbraw/zinc/10/90/71/1074109071.db2.gz STBSOUJEMUYCLR-VIFPVBQESA-N 0 3 385.208 3.722 20 10 GHCDHN CN(c1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1)C1CCCCC1 ZINC000821619355 606214010 /nfs/dbraw/zinc/21/40/10/606214010.db2.gz SICAIESLCJZCMV-UHFFFAOYSA-N 0 3 382.537 3.987 20 10 GHCDHN COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826210494 609264130 /nfs/dbraw/zinc/26/41/30/609264130.db2.gz UFAYCUXKJBUXSP-UHFFFAOYSA-N 0 3 387.443 3.538 20 10 GHCDHN Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001279106153 835577683 /nfs/dbraw/zinc/57/76/83/835577683.db2.gz HTFXRRPTAIEBOW-UHFFFAOYSA-N 0 3 379.476 3.533 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cscc2C(F)(F)F)N(C)C)cc1 ZINC000891245743 839303444 /nfs/dbraw/zinc/30/34/44/839303444.db2.gz IPEGXEUNKJDXJN-INIZCTEOSA-N 0 3 385.455 3.866 20 10 GHCDHN CSc1cccc(F)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249543 839327135 /nfs/dbraw/zinc/32/71/35/839327135.db2.gz RMKIZCCEWPSALU-QGZVFWFLSA-N 0 3 375.513 3.646 20 10 GHCDHN CC1CCN([C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)c2cccs2)CC1 ZINC000588403882 840939108 /nfs/dbraw/zinc/93/91/08/840939108.db2.gz ZXQRNUOTSIZODH-WVRJYTFGSA-N 0 3 386.517 3.762 20 10 GHCDHN COc1ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569130 843169827 /nfs/dbraw/zinc/16/98/27/843169827.db2.gz YYRIUFMIVZRPRY-IEBWSBKVSA-N 0 3 375.440 3.901 20 10 GHCDHN COc1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569130 843169830 /nfs/dbraw/zinc/16/98/30/843169830.db2.gz YYRIUFMIVZRPRY-IEBWSBKVSA-N 0 3 375.440 3.901 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000729051641 844701693 /nfs/dbraw/zinc/70/16/93/844701693.db2.gz UNVCMLLPLMBFAN-DYESRHJHSA-N 0 3 397.519 3.907 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000273485428 847352587 /nfs/dbraw/zinc/35/25/87/847352587.db2.gz NBQAAVVLBOBMPA-INIZCTEOSA-N 0 3 398.503 3.556 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000732469651 862306322 /nfs/dbraw/zinc/30/63/22/862306322.db2.gz JDEGDHWFYWDUMG-LJQANCHMSA-N 0 3 382.552 3.805 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000733334911 862876831 /nfs/dbraw/zinc/87/68/31/862876831.db2.gz UKWKNNPLYORCAW-GOSISDBHSA-N 0 3 390.911 3.817 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765979032 859269535 /nfs/dbraw/zinc/26/95/35/859269535.db2.gz VZQQACSVODNCTR-KGLIPLIRSA-N 0 3 384.455 3.656 20 10 GHCDHN C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000764768334 859595535 /nfs/dbraw/zinc/59/55/35/859595535.db2.gz LDFJBJDUUIRAJL-KRWDZBQOSA-N 0 3 387.549 3.899 20 10 GHCDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000765230735 859857748 /nfs/dbraw/zinc/85/77/48/859857748.db2.gz SZPCALOHWABTPC-XXBNENTESA-N 0 3 392.547 3.607 20 10 GHCDHN CNC(=O)COc1cccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000765241807 859860660 /nfs/dbraw/zinc/86/06/60/859860660.db2.gz ZYNFIEJFUMXCHT-QGZVFWFLSA-N 0 3 399.510 3.792 20 10 GHCDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCC2 ZINC000765251431 859867145 /nfs/dbraw/zinc/86/71/45/859867145.db2.gz FQDJYDUJJNNYRP-AEFFLSMTSA-N 0 3 398.576 3.574 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2ccccc2n1 ZINC000765254493 859872425 /nfs/dbraw/zinc/87/24/25/859872425.db2.gz MZZJZUUROVOGLC-XLIONFOSSA-N 0 3 388.515 3.787 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CSCCc4ccccc43)cc2)C1 ZINC000765255083 859873362 /nfs/dbraw/zinc/87/33/62/859873362.db2.gz PDUMDXRLWIRHGD-DENIHFKCSA-N 0 3 395.572 3.509 20 10 GHCDHN C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765641377 860370061 /nfs/dbraw/zinc/37/00/61/860370061.db2.gz PICLWSACAJNIGA-OAHLLOKOSA-N 0 3 397.947 3.694 20 10 GHCDHN COc1cc(O)c(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1OC ZINC000160146813 863349174 /nfs/dbraw/zinc/34/91/74/863349174.db2.gz VAYLTQBNOUHNPL-UHFFFAOYSA-N 0 3 395.459 3.839 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c(C(F)(F)F)c1 ZINC000792821844 881709856 /nfs/dbraw/zinc/70/98/56/881709856.db2.gz FTEBZXXEQPNSEQ-MRXNPFEDSA-N 0 3 383.458 3.606 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(OC(F)F)c(F)c1 ZINC000121294944 865032105 /nfs/dbraw/zinc/03/21/05/865032105.db2.gz FLQWDLGHBAZROC-UHFFFAOYSA-N 0 3 380.410 3.896 20 10 GHCDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000738971498 865668013 /nfs/dbraw/zinc/66/80/13/865668013.db2.gz UGQZQXPALYEMEC-UHFFFAOYSA-N 0 3 386.584 3.940 20 10 GHCDHN COc1ccc(O)c(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC000174424986 865789291 /nfs/dbraw/zinc/78/92/91/865789291.db2.gz PJNMULSYEYEURN-SFHVURJKSA-N 0 3 377.868 3.902 20 10 GHCDHN Cn1nccc1[C@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000857061353 881976351 /nfs/dbraw/zinc/97/63/51/881976351.db2.gz OTUGFNGWJSEBHU-HSZRJFAPSA-N 0 3 377.488 3.738 20 10 GHCDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1c1ccccc1 ZINC000741808395 866804207 /nfs/dbraw/zinc/80/42/07/866804207.db2.gz TXCHXYAZFHXNFG-XXBNENTESA-N 0 3 379.548 3.837 20 10 GHCDHN O=C(NCCCN1CCc2ccccc2C1)NCc1c(O)ccc2c1CCCC2 ZINC000743532137 868249498 /nfs/dbraw/zinc/24/94/98/868249498.db2.gz KKJGHSMUIHVJCS-UHFFFAOYSA-N 0 3 393.531 3.519 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000743855839 868455183 /nfs/dbraw/zinc/45/51/83/868455183.db2.gz MHPPQDABENGMRG-NRFANRHFSA-N 0 3 395.522 3.954 20 10 GHCDHN CC[N@H+](CC[S@](=O)c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000743870771 868467991 /nfs/dbraw/zinc/46/79/91/868467991.db2.gz ALQULCGHUCZCKG-QFIPXVFZSA-N 0 3 382.323 3.784 20 10 GHCDHN CC[N@@H+](CC[S@](=O)c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000743870771 868467994 /nfs/dbraw/zinc/46/79/94/868467994.db2.gz ALQULCGHUCZCKG-QFIPXVFZSA-N 0 3 382.323 3.784 20 10 GHCDHN CC[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccccc1[O-] ZINC000793558147 882265228 /nfs/dbraw/zinc/26/52/28/882265228.db2.gz CSGDRKSVKBNZIQ-AUSIDOKSSA-N 0 3 393.487 3.858 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000793604309 882306134 /nfs/dbraw/zinc/30/61/34/882306134.db2.gz FANOLPQZRSYEHL-LBPRGKRZSA-N 0 3 387.318 3.856 20 10 GHCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC001195791221 872665708 /nfs/dbraw/zinc/66/57/08/872665708.db2.gz ZPNIDDDLVLLXDX-IBGZPJMESA-N 0 3 382.426 3.816 20 10 GHCDHN CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000768017547 873027498 /nfs/dbraw/zinc/02/74/98/873027498.db2.gz OYYQEQTUPZURKK-UHFFFAOYSA-N 0 3 387.549 3.580 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000183042537 873135682 /nfs/dbraw/zinc/13/56/82/873135682.db2.gz LREQQCUDBRJLJP-NRFANRHFSA-N 0 3 396.531 3.515 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000183042537 873135689 /nfs/dbraw/zinc/13/56/89/873135689.db2.gz LREQQCUDBRJLJP-NRFANRHFSA-N 0 3 396.531 3.515 20 10 GHCDHN COc1cc(O)c(CN(C)Cc2ccc(OC(F)F)c(OC)c2)cc1OC ZINC000768438583 873302502 /nfs/dbraw/zinc/30/25/02/873302502.db2.gz VGYLSSYDFWYZPX-UHFFFAOYSA-N 0 3 383.391 3.651 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000768532007 873364582 /nfs/dbraw/zinc/36/45/82/873364582.db2.gz JWPRUKZCIVHEDK-UHFFFAOYSA-N 0 3 381.501 3.606 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c([O-])c1 ZINC000769191941 873844554 /nfs/dbraw/zinc/84/45/54/873844554.db2.gz UYBZZBDHUKJDQF-UHFFFAOYSA-N 0 3 382.504 3.628 20 10 GHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527989552 873854453 /nfs/dbraw/zinc/85/44/53/873854453.db2.gz CONPEDURHXSBQK-BZNIZROVSA-N 0 3 378.831 3.649 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422920 874041620 /nfs/dbraw/zinc/04/16/20/874041620.db2.gz MWQSQWRGSUTRHM-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422920 874041636 /nfs/dbraw/zinc/04/16/36/874041636.db2.gz MWQSQWRGSUTRHM-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN CC1(C2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)OCCO1 ZINC000769398074 874060426 /nfs/dbraw/zinc/06/04/26/874060426.db2.gz FHLBCMRFLRZQRU-UHFFFAOYSA-N 0 3 389.496 3.560 20 10 GHCDHN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775833615 874302701 /nfs/dbraw/zinc/30/27/01/874302701.db2.gz FKRMUQKOHSDWMF-KRWDZBQOSA-N 0 3 396.535 3.524 20 10 GHCDHN C[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835588 874323872 /nfs/dbraw/zinc/32/38/72/874323872.db2.gz VHMMQEKGVVKBJB-AWEZNQCLSA-N 0 3 377.891 3.854 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000151573961 875054872 /nfs/dbraw/zinc/05/48/72/875054872.db2.gz KXHDJJPDLLSGDB-SFHVURJKSA-N 0 3 396.531 3.907 20 10 GHCDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000776248567 876044734 /nfs/dbraw/zinc/04/47/34/876044734.db2.gz JKWXMLAUNCMUFA-QGZVFWFLSA-N 0 3 386.515 3.726 20 10 GHCDHN CC(C)(C)OC(=O)c1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406677 876888285 /nfs/dbraw/zinc/88/82/85/876888285.db2.gz PROUTKZDDFTDQN-UHFFFAOYSA-N 0 3 396.531 3.893 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850759860 877146679 /nfs/dbraw/zinc/14/66/79/877146679.db2.gz RYOJJGDEKFSETN-JOCHJYFZSA-N 0 3 396.535 3.856 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H]3CCc4ccc(Cl)nc43)cc2F)CC1 ZINC000788592377 878192219 /nfs/dbraw/zinc/19/22/19/878192219.db2.gz BTTDVGJCODTFLO-SFHVURJKSA-N 0 3 388.918 3.793 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H]3CCCc4ccc(O)cc43)cc2F)CC1 ZINC000788594485 878194176 /nfs/dbraw/zinc/19/41/76/878194176.db2.gz NFDCVPJAIXYBFQ-QFIPXVFZSA-N 0 3 383.511 3.840 20 10 GHCDHN [O-]c1ccccc1C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000238101695 878746232 /nfs/dbraw/zinc/74/62/32/878746232.db2.gz XUKROTLUGKDECK-GOSISDBHSA-N 0 3 380.410 3.574 20 10 GHCDHN COc1ccc(O)c(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000789597426 879106056 /nfs/dbraw/zinc/10/60/56/879106056.db2.gz SWTVURGFNQAJKZ-MRXNPFEDSA-N 0 3 395.286 3.993 20 10 GHCDHN CCCOc1cc(OC)ccc1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000789665878 879117248 /nfs/dbraw/zinc/11/72/48/879117248.db2.gz NBVWDUNIDRZHFI-UHFFFAOYSA-N 0 3 397.519 3.878 20 10 GHCDHN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC2(CCOCC2)O1 ZINC000790932796 880074093 /nfs/dbraw/zinc/07/40/93/880074093.db2.gz RANZHAJROCJXQU-SFHVURJKSA-N 0 3 383.488 3.741 20 10 GHCDHN COc1ccc([C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C2CC2)cn1 ZINC000858603710 883226573 /nfs/dbraw/zinc/22/65/73/883226573.db2.gz GIEKBVAKTLQLDT-QRQCRPRQSA-N 0 3 385.483 3.868 20 10 GHCDHN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000806431851 884668633 /nfs/dbraw/zinc/66/86/33/884668633.db2.gz BKUXMBNMFQSLHF-XMSQKQJNSA-N 0 3 380.536 3.777 20 10 GHCDHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000914878462 885093657 /nfs/dbraw/zinc/09/36/57/885093657.db2.gz INSZVXGJLCPFJF-UHFFFAOYSA-N 0 3 396.579 3.585 20 10 GHCDHN C[C@H](NC(=O)NCCCSc1nccs1)[C@H](c1ccccc1)N(C)C ZINC000806959602 885115175 /nfs/dbraw/zinc/11/51/75/885115175.db2.gz YQSIGIJMERXIME-GOEBONIOSA-N 0 3 378.567 3.616 20 10 GHCDHN CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762271067 885911973 /nfs/dbraw/zinc/91/19/73/885911973.db2.gz ZITBVUSURBZQSH-QHCPKHFHSA-N 0 3 392.547 3.703 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCn3cc(Br)cn3)c2c1 ZINC000808242989 886182368 /nfs/dbraw/zinc/18/23/68/886182368.db2.gz RQNLQOUYWWCTBR-UHFFFAOYSA-N 0 3 390.281 3.645 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCn3cc(Br)cn3)c2c1 ZINC000808242989 886182395 /nfs/dbraw/zinc/18/23/95/886182395.db2.gz RQNLQOUYWWCTBR-UHFFFAOYSA-N 0 3 390.281 3.645 20 10 GHCDHN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808690822 886645638 /nfs/dbraw/zinc/64/56/38/886645638.db2.gz MFONIFJMFKDIIL-QWHCGFSZSA-N 0 3 382.913 3.674 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4ccc(=O)[nH]c43)c2)CC1 ZINC000809177406 887137755 /nfs/dbraw/zinc/13/77/55/887137755.db2.gz BJLDFWRQQKCKQX-UHFFFAOYSA-N 0 3 390.487 3.723 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758096 887800847 /nfs/dbraw/zinc/80/08/47/887800847.db2.gz CJPKMTWPHDJBLZ-KBPBESRZSA-N 0 3 384.314 3.802 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758096 887800861 /nfs/dbraw/zinc/80/08/61/887800861.db2.gz CJPKMTWPHDJBLZ-KBPBESRZSA-N 0 3 384.314 3.802 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1[O-] ZINC000809792017 887846372 /nfs/dbraw/zinc/84/63/72/887846372.db2.gz FBKKKGLFGQAJAT-UHFFFAOYSA-N 0 3 375.812 3.776 20 10 GHCDHN C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)NC(=O)OC(C)(C)C ZINC000794825844 888265866 /nfs/dbraw/zinc/26/58/66/888265866.db2.gz PYKMHXHYMPNPOL-HUUCEWRRSA-N 0 3 397.947 3.740 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000154212058 890307621 /nfs/dbraw/zinc/30/76/21/890307621.db2.gz OROUPXANXPDJOI-JPYJTQIMSA-N 0 3 395.547 3.902 20 10 GHCDHN Cc1ncn(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)c1C ZINC000812785009 890964840 /nfs/dbraw/zinc/96/48/40/890964840.db2.gz BYXBRXIWHORIIT-UHFFFAOYSA-N 0 3 375.520 3.853 20 10 GHCDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289226114 914096323 /nfs/dbraw/zinc/09/63/23/914096323.db2.gz LPYKMPAIUUCUQK-IBGZPJMESA-N 0 3 388.458 3.712 20 10 GHCDHN CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000819900913 897042265 /nfs/dbraw/zinc/04/22/65/897042265.db2.gz LLVGZTHEQAKIOU-SFHVURJKSA-N 0 3 381.394 3.901 20 10 GHCDHN CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000819900913 897042273 /nfs/dbraw/zinc/04/22/73/897042273.db2.gz LLVGZTHEQAKIOU-SFHVURJKSA-N 0 3 381.394 3.901 20 10 GHCDHN COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000822494880 898429346 /nfs/dbraw/zinc/42/93/46/898429346.db2.gz WXHBPTRRSCNTSG-CQSZACIVSA-N 0 3 376.884 3.679 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000303057098 914253125 /nfs/dbraw/zinc/25/31/25/914253125.db2.gz WYQQSYQYNLHDCG-OAQYLSRUSA-N 0 3 383.536 3.585 20 10 GHCDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(C)=O ZINC000155338657 898643795 /nfs/dbraw/zinc/64/37/95/898643795.db2.gz QIUJJLONWUONHV-IAGOWNOFSA-N 0 3 397.519 3.902 20 10 GHCDHN Oc1ccc(Cl)cc1CNc1cc(N2CCOCC2)c(Br)cn1 ZINC000825311240 900113582 /nfs/dbraw/zinc/11/35/82/900113582.db2.gz HFICGJLRTSIVGR-UHFFFAOYSA-N 0 3 398.688 3.652 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc2ccccc2n1 ZINC000886746987 901251152 /nfs/dbraw/zinc/25/11/52/901251152.db2.gz IFENFTKNAMUYNK-QGZVFWFLSA-N 0 3 388.515 3.787 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)N[C@H]1CCCc2ccccc21 ZINC001186483535 914569910 /nfs/dbraw/zinc/56/99/10/914569910.db2.gz XKKGCSSXUAEDDX-NRFANRHFSA-N 0 3 379.504 3.733 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000158646760 901942062 /nfs/dbraw/zinc/94/20/62/901942062.db2.gz YIQSPUIVMDDYCY-NRFANRHFSA-N 0 3 392.471 3.567 20 10 GHCDHN COc1cccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000846155640 902723898 /nfs/dbraw/zinc/72/38/98/902723898.db2.gz ASWPJLNZWSFCSH-VHKYSDTDSA-N 0 3 390.911 3.777 20 10 GHCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000779013597 902801669 /nfs/dbraw/zinc/80/16/69/902801669.db2.gz SCJPWWMSCNGXQP-HOCLYGCPSA-N 0 3 394.309 3.862 20 10 GHCDHN C[C@H](O)c1ncc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000290439267 914682619 /nfs/dbraw/zinc/68/26/19/914682619.db2.gz SDVDXLZADFOSNO-QWHCGFSZSA-N 0 3 383.464 3.556 20 10 GHCDHN C[C@@H](O)c1ncc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000290439260 914682681 /nfs/dbraw/zinc/68/26/81/914682681.db2.gz SDVDXLZADFOSNO-OLZOCXBDSA-N 0 3 383.464 3.556 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1[O-] ZINC000779048869 903556635 /nfs/dbraw/zinc/55/66/35/903556635.db2.gz DEBNRDOPWZGNMI-LBPRGKRZSA-N 0 3 389.293 3.600 20 10 GHCDHN C[C@H]1CN([C@H](C[NH2+]Cc2cc(F)ccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000779054468 903581640 /nfs/dbraw/zinc/58/16/40/903581640.db2.gz DPSRIKQECOSDBU-SCLBCKFNSA-N 0 3 396.865 3.875 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000773038709 904394567 /nfs/dbraw/zinc/39/45/67/904394567.db2.gz BJJIHAQJOVEQPZ-KRWDZBQOSA-N 0 3 384.545 3.858 20 10 GHCDHN COc1cc(CN2CCN(c3cccc4cnccc43)C[C@@H]2C)c(O)cc1C ZINC000773342343 905391464 /nfs/dbraw/zinc/39/14/64/905391464.db2.gz UCNXQGJFXONBLS-KRWDZBQOSA-N 0 3 377.488 3.968 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CCCCC(=O)OC(C)(C)C)c1[O-] ZINC000773429742 907317384 /nfs/dbraw/zinc/31/73/84/907317384.db2.gz VVBQQCQEQOESJI-UHFFFAOYSA-N 0 3 388.302 3.765 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000184676952 907635172 /nfs/dbraw/zinc/63/51/72/907635172.db2.gz SFFPNUUONYYMHJ-CQSZACIVSA-N 0 3 390.915 3.752 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000184676952 907635180 /nfs/dbraw/zinc/63/51/80/907635180.db2.gz SFFPNUUONYYMHJ-CQSZACIVSA-N 0 3 390.915 3.752 20 10 GHCDHN C[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000185276022 907745589 /nfs/dbraw/zinc/74/55/89/907745589.db2.gz MTEADEMEUQVHKG-SFHVURJKSA-N 0 3 398.526 3.898 20 10 GHCDHN COc1ccc(N2CCN(CCNCc3cc(C(C)(C)C)oc3C)CC2)cc1 ZINC001177515448 908610634 /nfs/dbraw/zinc/61/06/34/908610634.db2.gz STPSRRMYSZJWLK-UHFFFAOYSA-N 0 3 385.552 3.806 20 10 GHCDHN CCCOc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)cc1C ZINC001178231767 908969531 /nfs/dbraw/zinc/96/95/31/908969531.db2.gz JAPWVGVCOYEACM-UHFFFAOYSA-N 0 3 396.578 3.530 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001180051254 909915979 /nfs/dbraw/zinc/91/59/79/909915979.db2.gz FAMORTSZXMGFRD-OAHLLOKOSA-N 0 3 378.513 3.834 20 10 GHCDHN CCOC(=O)c1oc2c(c1C)[C@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000774133430 911436047 /nfs/dbraw/zinc/43/60/47/911436047.db2.gz FYHGNSUAEOHISQ-LJQANCHMSA-N 0 3 398.503 3.769 20 10 GHCDHN C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000774384160 911691435 /nfs/dbraw/zinc/69/14/35/911691435.db2.gz OVHNGMNJCLKIIC-GFCCVEGCSA-N 0 3 398.828 3.744 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c2c1c(F)ccc2[O-] ZINC000774396800 911708927 /nfs/dbraw/zinc/70/89/27/911708927.db2.gz NLIBYIXVVWVCJH-NSODJVPESA-N 0 3 383.385 3.938 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000774480692 911785689 /nfs/dbraw/zinc/78/56/89/911785689.db2.gz CGBIUSQPHLFIKI-DLBZAZTESA-N 0 3 394.519 3.557 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000774484764 911792302 /nfs/dbraw/zinc/79/23/02/911792302.db2.gz SDRPWXHITMNPOH-SJORKVTESA-N 0 3 394.519 3.557 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000775204025 916260407 /nfs/dbraw/zinc/26/04/07/916260407.db2.gz LOLFCNRNXWJPIU-UHFFFAOYSA-N 0 3 376.229 3.769 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1[O-] ZINC000293667565 916321896 /nfs/dbraw/zinc/32/18/96/916321896.db2.gz OLYBZNKOJQSULY-KRWDZBQOSA-N 0 3 379.298 3.708 20 10 GHCDHN CC(C)N(C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775253352 916645862 /nfs/dbraw/zinc/64/58/62/916645862.db2.gz AUPVHKLILULJAN-IBGZPJMESA-N 0 3 381.520 3.615 20 10 GHCDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000775255929 916664244 /nfs/dbraw/zinc/66/42/44/916664244.db2.gz SAEDGGYQFSXSLB-MRXNPFEDSA-N 0 3 387.911 3.774 20 10 GHCDHN CC(C)[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775258622 916690568 /nfs/dbraw/zinc/69/05/68/916690568.db2.gz GVXDKCNARHWBIG-DVECYGJZSA-N 0 3 395.547 3.687 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CC2(c3ccccn3)CCC2)c1[O-] ZINC000796515379 917950944 /nfs/dbraw/zinc/95/09/44/917950944.db2.gz SNXKJXQVMOAAMW-UHFFFAOYSA-N 0 3 377.282 3.770 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c([O-])c1 ZINC000800893092 920574834 /nfs/dbraw/zinc/57/48/34/920574834.db2.gz OMDBWGVEZSGWTG-SFHVURJKSA-N 0 3 378.513 3.916 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000800993064 920676392 /nfs/dbraw/zinc/67/63/92/920676392.db2.gz ILZGIALGDJKFER-HHXXYDBFSA-N 0 3 382.479 3.903 20 10 GHCDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000367569404 922206635 /nfs/dbraw/zinc/20/66/35/922206635.db2.gz HSOBFFUVHCAVLE-HTAPYJJXSA-N 0 3 379.504 3.672 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000367896351 922363924 /nfs/dbraw/zinc/36/39/24/922363924.db2.gz NOVPJPGVNAVXIU-ZOBUZTSGSA-N 0 3 392.849 3.710 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000372773814 925697178 /nfs/dbraw/zinc/69/71/78/925697178.db2.gz WCHMCDKFABGSOR-HNNXBMFYSA-N 0 3 394.313 3.588 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1[O-] ZINC000827832235 926058776 /nfs/dbraw/zinc/05/87/76/926058776.db2.gz LURZBQYKINVAHK-AWEZNQCLSA-N 0 3 390.199 3.704 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000757768997 929794319 /nfs/dbraw/zinc/79/43/19/929794319.db2.gz VGTZTOJKQCSGDO-GHTZIAJQSA-N 0 3 381.520 3.977 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000759654296 930440411 /nfs/dbraw/zinc/44/04/11/930440411.db2.gz APWSHOZCWBLETM-FCHUYYIVSA-N 0 3 380.536 3.730 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927017001 932382427 /nfs/dbraw/zinc/38/24/27/932382427.db2.gz VIWKTNBWLVWKFH-UKRRQHHQSA-N 0 3 384.314 3.842 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccc2c[nH]nc21 ZINC001116226684 933417216 /nfs/dbraw/zinc/41/72/16/933417216.db2.gz SSHYRTIEOGQVQB-UHFFFAOYSA-N 0 3 390.409 3.708 20 10 GHCDHN CCOc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC001116438090 933557676 /nfs/dbraw/zinc/55/76/76/933557676.db2.gz BJZVNNXQORPAKW-UHFFFAOYSA-N 0 3 388.483 3.702 20 10 GHCDHN COC(=O)[C@H](C)[C@@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1ccccc1 ZINC000828364820 935620592 /nfs/dbraw/zinc/62/05/92/935620592.db2.gz KFFNTTGBOYMEPK-WZONZLPQSA-N 0 3 396.531 3.942 20 10 GHCDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC001138031330 935937644 /nfs/dbraw/zinc/93/76/44/935937644.db2.gz NNKOVVWJDNOMKL-UHFFFAOYSA-N 0 3 396.491 3.994 20 10 GHCDHN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3c([O-])cccc3F)cc2)C1 ZINC001220879570 1032167928 /nfs/dbraw/zinc/16/79/28/1032167928.db2.gz CODSNXHCCZIALT-INIZCTEOSA-N 0 3 385.483 3.763 20 10 GHCDHN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3c([O-])cccc3F)cc2)C1 ZINC001220879570 1032167932 /nfs/dbraw/zinc/16/79/32/1032167932.db2.gz CODSNXHCCZIALT-INIZCTEOSA-N 0 3 385.483 3.763 20 10 GHCDHN Cc1cc(C[N@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c([O-])cc1Br ZINC001277191128 1032332300 /nfs/dbraw/zinc/33/23/00/1032332300.db2.gz FNNAGHIQGBRKLN-LJQANCHMSA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1cc(C[N@@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c([O-])cc1Br ZINC001277191128 1032332309 /nfs/dbraw/zinc/33/23/09/1032332309.db2.gz FNNAGHIQGBRKLN-LJQANCHMSA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1nc(CN2CCC3(CN(Cc4ccc(N5CCCC5)cc4)C3)C2)cs1 ZINC001204322596 1032766776 /nfs/dbraw/zinc/76/67/76/1032766776.db2.gz LCJGDOZBKCFHFU-UHFFFAOYSA-N 0 3 382.577 3.760 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1[O-] ZINC000779021618 1020270396 /nfs/dbraw/zinc/27/03/96/1020270396.db2.gz CWGYGGVYDXJOLS-OAHLLOKOSA-N 0 3 397.357 3.759 20 10 GHCDHN COc1ccc(CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C2CC2)cc1 ZINC000779929297 1020973527 /nfs/dbraw/zinc/97/35/27/1020973527.db2.gz LUOZTCCVJUCAQZ-GOSISDBHSA-N 0 3 395.547 3.678 20 10 GHCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1C(F)(F)F ZINC000834769716 1021455072 /nfs/dbraw/zinc/45/50/72/1021455072.db2.gz QDGCAWSULNTVPV-LSDHHAIUSA-N 0 3 376.378 3.793 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1[O-] ZINC000835076376 1021871984 /nfs/dbraw/zinc/87/19/84/1021871984.db2.gz IAGGUENMWNXNNC-UHFFFAOYSA-N 0 3 382.302 3.555 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1[O-] ZINC000835076376 1021872001 /nfs/dbraw/zinc/87/20/01/1021872001.db2.gz IAGGUENMWNXNNC-UHFFFAOYSA-N 0 3 382.302 3.555 20 10 GHCDHN Cc1nc2ccccn2c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000754340471 1022630409 /nfs/dbraw/zinc/63/04/09/1022630409.db2.gz ARYDLFRPVWWTPV-SFHVURJKSA-N 0 3 384.911 3.756 20 10 GHCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754835666 1022923034 /nfs/dbraw/zinc/92/30/34/1022923034.db2.gz SHINHMGOVAOXON-ICSRJNTNSA-N 0 3 375.875 3.607 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949996 1022971392 /nfs/dbraw/zinc/97/13/92/1022971392.db2.gz QCJOBKAGPAJWFW-IRLDBZIGSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949996 1022971400 /nfs/dbraw/zinc/97/14/00/1022971400.db2.gz QCJOBKAGPAJWFW-IRLDBZIGSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949997 1022971752 /nfs/dbraw/zinc/97/17/52/1022971752.db2.gz QCJOBKAGPAJWFW-RBBKRZOGSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949997 1022971755 /nfs/dbraw/zinc/97/17/55/1022971755.db2.gz QCJOBKAGPAJWFW-RBBKRZOGSA-N 0 3 386.467 3.685 20 10 GHCDHN COc1cc(O)c(CN2CCC(Oc3ccc(C)cc3OC)CC2)c(OC)c1 ZINC001141029309 1023279501 /nfs/dbraw/zinc/27/95/01/1023279501.db2.gz PITKIXDWPHYMRG-UHFFFAOYSA-N 0 3 387.476 3.770 20 10 GHCDHN COc1cccc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)n1 ZINC001141079239 1023445553 /nfs/dbraw/zinc/44/55/53/1023445553.db2.gz YEOLXZKNLIHOFH-UHFFFAOYSA-N 0 3 393.531 3.832 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000756031839 1023485587 /nfs/dbraw/zinc/48/55/87/1023485587.db2.gz BREZVWIOLDWPDH-RULNZOCKSA-N 0 3 398.322 3.752 20 10 GHCDHN COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000756361437 1023606354 /nfs/dbraw/zinc/60/63/54/1023606354.db2.gz ZGDHWACRCANXOP-LJQANCHMSA-N 0 3 383.536 3.572 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c2c1c(F)ccc2[O-] ZINC000756420967 1023639203 /nfs/dbraw/zinc/63/92/03/1023639203.db2.gz XPEKBSVMMJCGIF-OIPACUDHSA-N 0 3 385.483 3.878 20 10 GHCDHN COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccc1OCCO ZINC000756455226 1023659800 /nfs/dbraw/zinc/65/98/00/1023659800.db2.gz BPKQSBJXSRXYFI-WWGRRREGSA-N 0 3 375.440 3.810 20 10 GHCDHN COc1ccc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c(OC)c1OC ZINC000756534925 1023702295 /nfs/dbraw/zinc/70/22/95/1023702295.db2.gz MCFCLJVVIAYWPS-WFASDCNBSA-N 0 3 375.440 3.938 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756683022 1023773064 /nfs/dbraw/zinc/77/30/64/1023773064.db2.gz DSZFWIOIUWZXBL-KUHUBIRLSA-N 0 3 378.875 3.909 20 10 GHCDHN COC1CCN(c2ccc(CN3C[C@H](c4ccccc4)[C@@](F)(CO)C3)cc2)CC1 ZINC000830738455 1024119234 /nfs/dbraw/zinc/11/92/34/1024119234.db2.gz FRWBAIGXYVGZMS-RPWUZVMVSA-N 0 3 398.522 3.602 20 10 GHCDHN Oc1c(F)cccc1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC001138127768 1024175861 /nfs/dbraw/zinc/17/58/61/1024175861.db2.gz OWYXOASLVJSIRU-UHFFFAOYSA-N 0 3 379.273 3.612 20 10 GHCDHN COc1ccnc(O[C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC001138222015 1024399304 /nfs/dbraw/zinc/39/93/04/1024399304.db2.gz BALVGALZXOHDJV-HXUWFJFHSA-N 0 3 382.508 3.519 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCN4)c2)CC1 ZINC000831490111 1024597210 /nfs/dbraw/zinc/59/72/10/1024597210.db2.gz GKZILZOJNCEJHH-UHFFFAOYSA-N 0 3 378.520 3.827 20 10 GHCDHN C[C@]1(c2ccc(F)cc2)CN(Cc2cc3c4c(c2O)CCCN4CCC3)CCO1 ZINC001138339133 1024700389 /nfs/dbraw/zinc/70/03/89/1024700389.db2.gz AODJFGKNOFMXSD-XMMPIXPASA-N 0 3 396.506 3.978 20 10 GHCDHN Oc1c(CN2CCOC[C@H]2Cc2ccccc2)cc2c3c1CCCN3CCC2 ZINC001138342537 1024704361 /nfs/dbraw/zinc/70/43/61/1024704361.db2.gz SRMXIBZYRFXIMK-OAQYLSRUSA-N 0 3 378.516 3.535 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c(OC)c1 ZINC001138392103 1024769876 /nfs/dbraw/zinc/76/98/76/1024769876.db2.gz QLHIXFYOZDUPDH-LEWJYISDSA-N 0 3 377.548 3.940 20 10 GHCDHN COc1ccc2c(c1)CCC[C@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146084 1025640692 /nfs/dbraw/zinc/64/06/92/1025640692.db2.gz WICCDRKBPMCMQD-OAQYLSRUSA-N 0 3 388.458 3.977 20 10 GHCDHN COc1cc(O)c(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1OC ZINC000839161167 1025669090 /nfs/dbraw/zinc/66/90/90/1025669090.db2.gz WXKUHSWDYSNNDP-NRFANRHFSA-N 0 3 393.430 3.633 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2ccc(C)cc21 ZINC001140054447 1026833273 /nfs/dbraw/zinc/83/32/73/1026833273.db2.gz QOVNWARVAIVORI-HXUWFJFHSA-N 0 3 397.494 3.747 20 10 GHCDHN CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054630 1026833693 /nfs/dbraw/zinc/83/36/93/1026833693.db2.gz UEZXDYOUVLGELW-HXUWFJFHSA-N 0 3 382.479 3.902 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccccc3C(=O)OC(C)(C)C)cc2)CC1 ZINC001203276305 1027258679 /nfs/dbraw/zinc/25/86/79/1027258679.db2.gz MKKYWJZGIIYEGR-UHFFFAOYSA-N 0 3 395.547 3.684 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(c3ccncn3)CC2)c1[O-] ZINC000840170974 1027305423 /nfs/dbraw/zinc/30/54/23/1027305423.db2.gz YMYVDLVVGOEIPN-UHFFFAOYSA-N 0 3 377.444 3.502 20 10 GHCDHN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(Cc1ccccc1O)C2 ZINC001203552752 1027430174 /nfs/dbraw/zinc/43/01/74/1027430174.db2.gz RYYWDLKDHLSHJB-NRFANRHFSA-N 0 3 399.878 3.795 20 10 GHCDHN COc1ccc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c([O-])c1 ZINC001203622265 1027484954 /nfs/dbraw/zinc/48/49/54/1027484954.db2.gz WGSNBOHMYVUCGS-UHFFFAOYSA-N 0 3 379.435 3.598 20 10 GHCDHN COc1ccc(C[N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c([O-])c1 ZINC001203622265 1027484962 /nfs/dbraw/zinc/48/49/62/1027484962.db2.gz WGSNBOHMYVUCGS-UHFFFAOYSA-N 0 3 379.435 3.598 20 10 GHCDHN CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203629427 1027490066 /nfs/dbraw/zinc/49/00/66/1027490066.db2.gz JXFFGKJHLLJKMT-OAQYLSRUSA-N 0 3 394.515 3.771 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)cc1 ZINC001203934085 1027727127 /nfs/dbraw/zinc/72/71/27/1027727127.db2.gz UIPUANMWMLFFIQ-JOCHJYFZSA-N 0 3 377.532 3.591 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)cc1 ZINC001203939905 1027733621 /nfs/dbraw/zinc/73/36/21/1027733621.db2.gz YJJFHZKFVNFCMG-JOCHJYFZSA-N 0 3 377.532 3.986 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000840959289 1027991727 /nfs/dbraw/zinc/99/17/27/1027991727.db2.gz QLGXZQDBNBFUFJ-ICSRJNTNSA-N 0 3 390.524 3.677 20 10 GHCDHN CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000840961635 1027993179 /nfs/dbraw/zinc/99/31/79/1027993179.db2.gz CIPDQYSYSMJONV-QGZVFWFLSA-N 0 3 379.497 3.904 20 10 GHCDHN CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000840961635 1027993181 /nfs/dbraw/zinc/99/31/81/1027993181.db2.gz CIPDQYSYSMJONV-QGZVFWFLSA-N 0 3 379.497 3.904 20 10 GHCDHN CN1CCN(c2ccc(CNCc3sccc3Br)cc2)CC1 ZINC001461481943 1069570324 /nfs/dbraw/zinc/57/03/24/1069570324.db2.gz STNAEEODOVSRLV-UHFFFAOYSA-N 0 3 380.355 3.552 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842927513 1029693260 /nfs/dbraw/zinc/69/32/60/1029693260.db2.gz RJHGQBAXDWSXGG-GDBMZVCRSA-N 0 3 394.437 3.975 20 10 GHCDHN Nc1ccc(N(C(=O)[C@@H]2C[C@@H](F)CCN2)c2ccc3ccccc3c2N)cc1 ZINC001219471791 1031443750 /nfs/dbraw/zinc/44/37/50/1031443750.db2.gz SUNPEVYQGSGGFJ-KXBFYZLASA-N 0 3 378.451 3.759 20 10 GHCDHN CC[C@@H](C)NC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001277067174 1031566216 /nfs/dbraw/zinc/56/62/16/1031566216.db2.gz VFIIKKYNXZBLSY-CZUORRHYSA-N 0 3 380.916 3.571 20 10 GHCDHN CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001277067174 1031566239 /nfs/dbraw/zinc/56/62/39/1031566239.db2.gz VFIIKKYNXZBLSY-CZUORRHYSA-N 0 3 380.916 3.571 20 10 GHCDHN Cc1cnc(OC(C)C)c(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001205520407 1033449123 /nfs/dbraw/zinc/44/91/23/1033449123.db2.gz HZOVKHIJIWVPLY-FQEVSTJZSA-N 0 3 399.539 3.668 20 10 GHCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC001231554076 1034706298 /nfs/dbraw/zinc/70/62/98/1034706298.db2.gz HSESFIZCABDTDU-ZDUSSCGKSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC001231554076 1034706313 /nfs/dbraw/zinc/70/63/13/1034706313.db2.gz HSESFIZCABDTDU-ZDUSSCGKSA-N 0 3 377.282 3.938 20 10 GHCDHN CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231564781 1034714406 /nfs/dbraw/zinc/71/44/06/1034714406.db2.gz YAXPCLRSZZINRC-ONTIZHBOSA-N 0 3 380.488 3.701 20 10 GHCDHN CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231564781 1034714420 /nfs/dbraw/zinc/71/44/20/1034714420.db2.gz YAXPCLRSZZINRC-ONTIZHBOSA-N 0 3 380.488 3.701 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4c([O-])ccc5ccccc54)C[C@@H]3C2=O)c1 ZINC001231588945 1034744711 /nfs/dbraw/zinc/74/47/11/1034744711.db2.gz SUAQFSSGZPFXGB-UNMCSNQZSA-N 0 3 386.495 3.944 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4c([O-])ccc5ccccc54)C[C@@H]3C2=O)c1 ZINC001231588945 1034744726 /nfs/dbraw/zinc/74/47/26/1034744726.db2.gz SUAQFSSGZPFXGB-UNMCSNQZSA-N 0 3 386.495 3.944 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)ccc2ccccc21 ZINC001231878426 1034962786 /nfs/dbraw/zinc/96/27/86/1034962786.db2.gz KBGQLHSSJUYMFG-WMTXJRDZSA-N 0 3 397.515 3.720 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)ccc2ccccc21 ZINC001231878426 1034962790 /nfs/dbraw/zinc/96/27/90/1034962790.db2.gz KBGQLHSSJUYMFG-WMTXJRDZSA-N 0 3 397.515 3.720 20 10 GHCDHN CCOc1ccc(N2CCN(CCCCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001209374401 1035259354 /nfs/dbraw/zinc/25/93/54/1035259354.db2.gz DCQBCUYMDXGWFQ-UHFFFAOYSA-N 0 3 391.556 3.902 20 10 GHCDHN COc1ccc(N2CCN(CCCCCNC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001209376801 1035260297 /nfs/dbraw/zinc/26/02/97/1035260297.db2.gz QFERVLZVKGLWPJ-UHFFFAOYSA-N 0 3 391.556 3.821 20 10 GHCDHN COc1cc(I)cc(CN2CCC3(CCC3)CC2)c1O ZINC001248391649 1035803715 /nfs/dbraw/zinc/80/37/15/1035803715.db2.gz VZYCUOMAOWVCGY-UHFFFAOYSA-N 0 3 387.261 3.772 20 10 GHCDHN CC[C@@H]1CCCCN1Cc1cc(I)cc(OC)c1O ZINC001248400873 1035814498 /nfs/dbraw/zinc/81/44/98/1035814498.db2.gz DIXQQXIRLWPYMM-CYBMUJFWSA-N 0 3 375.250 3.770 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC001462049963 1069967515 /nfs/dbraw/zinc/96/75/15/1069967515.db2.gz HSEMSHQASDAOTI-OAQYLSRUSA-N 0 3 390.549 3.567 20 10 GHCDHN CC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263584 1037984518 /nfs/dbraw/zinc/98/45/18/1037984518.db2.gz SGYFIWNCDPPJHL-CYBMUJFWSA-N 0 3 384.904 3.830 20 10 GHCDHN CC[N@H+](Cc1cc(Cl)c([O-])cc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263584 1037984520 /nfs/dbraw/zinc/98/45/20/1037984520.db2.gz SGYFIWNCDPPJHL-CYBMUJFWSA-N 0 3 384.904 3.830 20 10 GHCDHN COC(=O)c1c(CN(C)CCc2ccc(OC)c(OC)c2)c2ccccc2n1C ZINC001232402500 1038185738 /nfs/dbraw/zinc/18/57/38/1038185738.db2.gz OTVCUBIMRDHLEV-UHFFFAOYSA-N 0 3 396.487 3.657 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cnc(C)c(C)c4)C3)C2)cc1 ZINC001233158703 1038932764 /nfs/dbraw/zinc/93/27/64/1038932764.db2.gz MTVXBWFAIMKYRN-XMMPIXPASA-N 0 3 395.547 3.826 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001233193786 1038960650 /nfs/dbraw/zinc/96/06/50/1038960650.db2.gz FCLIWUWWAZTEIW-LBPRGKRZSA-N 0 3 386.236 3.757 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001233193786 1038960652 /nfs/dbraw/zinc/96/06/52/1038960652.db2.gz FCLIWUWWAZTEIW-LBPRGKRZSA-N 0 3 386.236 3.757 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)cccc1C(F)(F)F ZINC001233417688 1039276703 /nfs/dbraw/zinc/27/67/03/1039276703.db2.gz DNVOXEZGOUSSPY-UHFFFAOYSA-N 0 3 390.409 3.863 20 10 GHCDHN [O-]c1c(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)cccc1C(F)(F)F ZINC001233417688 1039276711 /nfs/dbraw/zinc/27/67/11/1039276711.db2.gz DNVOXEZGOUSSPY-UHFFFAOYSA-N 0 3 390.409 3.863 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(O)C(F)(F)F ZINC001233726744 1039570084 /nfs/dbraw/zinc/57/00/84/1039570084.db2.gz GZFUFZFGGMDVLC-QMTHXVAHSA-N 0 3 387.320 3.816 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(O)C(F)(F)F ZINC001233726744 1039570104 /nfs/dbraw/zinc/57/01/04/1039570104.db2.gz GZFUFZFGGMDVLC-QMTHXVAHSA-N 0 3 387.320 3.816 20 10 GHCDHN COc1ccc(N2CCN(Cc3cccc(OC(F)(F)F)c3O)CC2)c(C)c1 ZINC001233776780 1039607243 /nfs/dbraw/zinc/60/72/43/1039607243.db2.gz YAVIACLTTFJRMH-UHFFFAOYSA-N 0 3 396.409 3.930 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H](C)O)cc1 ZINC001234518034 1040095076 /nfs/dbraw/zinc/09/50/76/1040095076.db2.gz BDJCFBCBGQOGNX-KRWDZBQOSA-N 0 3 395.499 3.988 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H](C)O)cc1 ZINC001234518034 1040095091 /nfs/dbraw/zinc/09/50/91/1040095091.db2.gz BDJCFBCBGQOGNX-KRWDZBQOSA-N 0 3 395.499 3.988 20 10 GHCDHN CCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H]1Cc1cnn(C)c1 ZINC001234544957 1040117045 /nfs/dbraw/zinc/11/70/45/1040117045.db2.gz NWPGHDAXIBLMCO-GMAHTHKFSA-N 0 3 395.503 3.510 20 10 GHCDHN CCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H]1Cc1cnn(C)c1 ZINC001234544957 1040117049 /nfs/dbraw/zinc/11/70/49/1040117049.db2.gz NWPGHDAXIBLMCO-GMAHTHKFSA-N 0 3 395.503 3.510 20 10 GHCDHN CCOC(=O)[C@@H](CCc1ccccc1)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657999 1040193859 /nfs/dbraw/zinc/19/38/59/1040193859.db2.gz QMJHERGQKDKUEZ-HSZRJFAPSA-N 0 3 396.531 3.772 20 10 GHCDHN CCN1CCN(c2ccc(O[C@@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)CC1 ZINC001234657791 1040193964 /nfs/dbraw/zinc/19/39/64/1040193964.db2.gz INPQBICGNFJEAJ-HNNXBMFYSA-N 0 3 399.447 3.605 20 10 GHCDHN CCCCOC[C@@H](C)OC[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661904 1040197422 /nfs/dbraw/zinc/19/74/22/1040197422.db2.gz XAFKNZVQELEUAG-WOJBJXKFSA-N 0 3 378.557 3.818 20 10 GHCDHN CCN1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC001235832255 1041352702 /nfs/dbraw/zinc/35/27/02/1041352702.db2.gz COANGXHHDOMWCX-QGZVFWFLSA-N 0 3 392.975 3.814 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)c([O-])c1 ZINC001236785665 1041892189 /nfs/dbraw/zinc/89/21/89/1041892189.db2.gz ASWZVIHDNRHHPX-JTHBVZDNSA-N 0 3 389.536 3.521 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)c([O-])c1 ZINC001236785665 1041892195 /nfs/dbraw/zinc/89/21/95/1041892195.db2.gz ASWZVIHDNRHHPX-JTHBVZDNSA-N 0 3 389.536 3.521 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788709 1041894471 /nfs/dbraw/zinc/89/44/71/1041894471.db2.gz NPBHUJSICOSGEX-DNQXCXABSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788709 1041894474 /nfs/dbraw/zinc/89/44/74/1041894474.db2.gz NPBHUJSICOSGEX-DNQXCXABSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3ccc(Br)cc3)CC2)c(O)c1 ZINC001236806929 1041908025 /nfs/dbraw/zinc/90/80/25/1041908025.db2.gz CQKIFQXVQIPSHH-UHFFFAOYSA-N 0 3 391.309 3.794 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001236832457 1041921186 /nfs/dbraw/zinc/92/11/86/1041921186.db2.gz NOUJPNLLKXBZRB-QPPBQGQZSA-N 0 3 390.483 3.606 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001236832457 1041921190 /nfs/dbraw/zinc/92/11/90/1041921190.db2.gz NOUJPNLLKXBZRB-QPPBQGQZSA-N 0 3 390.483 3.606 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)c([O-])c1 ZINC001237040889 1042000828 /nfs/dbraw/zinc/00/08/28/1042000828.db2.gz LSDIHFHWCPFKHN-SFHVURJKSA-N 0 3 386.536 3.699 20 10 GHCDHN Cc1nc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(C(C)C)cc4[O-])C3)C2=O)cs1 ZINC001237047571 1042005883 /nfs/dbraw/zinc/00/58/83/1042005883.db2.gz BPHCGPSFIZBPAE-JOCHJYFZSA-N 0 3 399.560 3.905 20 10 GHCDHN Cc1nc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(C(C)C)cc4[O-])C3)C2=O)cs1 ZINC001237047571 1042005889 /nfs/dbraw/zinc/00/58/89/1042005889.db2.gz BPHCGPSFIZBPAE-JOCHJYFZSA-N 0 3 399.560 3.905 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001237053365 1042011918 /nfs/dbraw/zinc/01/19/18/1042011918.db2.gz KRHABXQPLLYQCI-AWEZNQCLSA-N 0 3 387.320 3.613 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001237053365 1042011927 /nfs/dbraw/zinc/01/19/27/1042011927.db2.gz KRHABXQPLLYQCI-AWEZNQCLSA-N 0 3 387.320 3.613 20 10 GHCDHN CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237056692 1042013058 /nfs/dbraw/zinc/01/30/58/1042013058.db2.gz BHIMXDZNYVNMMV-UHFFFAOYSA-N 0 3 388.430 3.555 20 10 GHCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCC(O)(c2ccccc2F)CC1 ZINC001237056683 1042013129 /nfs/dbraw/zinc/01/31/29/1042013129.db2.gz NREOVEQDCRWYJF-UHFFFAOYSA-N 0 3 399.384 3.956 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001237056683 1042013138 /nfs/dbraw/zinc/01/31/38/1042013138.db2.gz NREOVEQDCRWYJF-UHFFFAOYSA-N 0 3 399.384 3.956 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001237057249 1042014331 /nfs/dbraw/zinc/01/43/31/1042014331.db2.gz AJPVIJYVLFOBGP-IBGZPJMESA-N 0 3 392.421 3.748 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001237057249 1042014335 /nfs/dbraw/zinc/01/43/35/1042014335.db2.gz AJPVIJYVLFOBGP-IBGZPJMESA-N 0 3 392.421 3.748 20 10 GHCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114445 1042046803 /nfs/dbraw/zinc/04/68/03/1042046803.db2.gz AEVTVDMJPIWACZ-KRWDZBQOSA-N 0 3 375.387 3.846 20 10 GHCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114445 1042046805 /nfs/dbraw/zinc/04/68/05/1042046805.db2.gz AEVTVDMJPIWACZ-KRWDZBQOSA-N 0 3 375.387 3.846 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001237486158 1042229874 /nfs/dbraw/zinc/22/98/74/1042229874.db2.gz WLUHMXXSLVWEDG-WIYYLYMNSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001237486158 1042229879 /nfs/dbraw/zinc/22/98/79/1042229879.db2.gz WLUHMXXSLVWEDG-WIYYLYMNSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1nc(COC[C@@H]2Cn3nccc3CN(Cc3c(C)cccc3O)C2)cs1 ZINC001237487644 1042230239 /nfs/dbraw/zinc/23/02/39/1042230239.db2.gz CMVIBNYYQPODHQ-KRWDZBQOSA-N 0 3 398.532 3.511 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001237490173 1042232690 /nfs/dbraw/zinc/23/26/90/1042232690.db2.gz QNFHELWQDQJQHP-UNMCSNQZSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001237490173 1042232694 /nfs/dbraw/zinc/23/26/94/1042232694.db2.gz QNFHELWQDQJQHP-UNMCSNQZSA-N 0 3 386.467 3.685 20 10 GHCDHN COc1cc(CN2CCN([C@@H]3CCCc4ccccc43)CC2)c(O)c(OC)c1 ZINC001237682241 1042322594 /nfs/dbraw/zinc/32/25/94/1042322594.db2.gz WSDAJALQBYASBS-OAQYLSRUSA-N 0 3 382.504 3.605 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cc1Br ZINC001237682916 1042323970 /nfs/dbraw/zinc/32/39/70/1042323970.db2.gz HHMGEPXQPLMGEH-UHFFFAOYSA-N 0 3 388.309 3.731 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)cc1Br ZINC001237682916 1042323977 /nfs/dbraw/zinc/32/39/77/1042323977.db2.gz HHMGEPXQPLMGEH-UHFFFAOYSA-N 0 3 388.309 3.731 20 10 GHCDHN COC1CC[NH+](C2CCN(Cc3cc(Br)c(C)cc3[O-])CC2)CC1 ZINC001237684222 1042325077 /nfs/dbraw/zinc/32/50/77/1042325077.db2.gz IEULPNQDPKHXGU-UHFFFAOYSA-N 0 3 397.357 3.538 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c1[O-] ZINC001238060961 1042479023 /nfs/dbraw/zinc/47/90/23/1042479023.db2.gz LXDIVLJEUIXSGO-FQEVSTJZSA-N 0 3 382.479 3.820 20 10 GHCDHN COc1cc(O)c(CN2CC3(CN(CCCC(F)(F)F)C3)C2)c(Cl)c1 ZINC001279665299 1047905228 /nfs/dbraw/zinc/90/52/28/1047905228.db2.gz LHJHPYPEPJMMPD-UHFFFAOYSA-N 0 3 378.822 3.514 20 10 GHCDHN CCSc1ccccc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463278693 1070958161 /nfs/dbraw/zinc/95/81/61/1070958161.db2.gz GKSNXORAAJXQEO-FQEVSTJZSA-N 0 3 385.577 3.826 20 10 GHCDHN CC/C(=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001463282420 1070961398 /nfs/dbraw/zinc/96/13/98/1070961398.db2.gz OCLNGGDTUMKLJS-YJCCFKNTSA-N 0 3 395.547 3.974 20 10 GHCDHN O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000733334787 1049372180 /nfs/dbraw/zinc/37/21/80/1049372180.db2.gz RGPJDYDYINUZIB-KRWDZBQOSA-N 0 3 375.856 3.708 20 10 GHCDHN CC(C)O[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001289601912 1049556968 /nfs/dbraw/zinc/55/69/68/1049556968.db2.gz GCCRLBLTGHHPGH-FGZHOGPDSA-N 0 3 383.536 3.638 20 10 GHCDHN C/C=C/COc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001289601785 1049557489 /nfs/dbraw/zinc/55/74/89/1049557489.db2.gz DOAIVFCLKROTPF-BMOUEYTDSA-N 0 3 395.547 3.669 20 10 GHCDHN COc1ccc(N2CCN(CC[C@@H](C)OCc3ccccc3)CC2)c(OC)c1 ZINC001308014582 1049763791 /nfs/dbraw/zinc/76/37/91/1049763791.db2.gz RTGREWSRCHFYSK-LJQANCHMSA-N 0 3 384.520 3.821 20 10 GHCDHN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001290719660 1049908100 /nfs/dbraw/zinc/90/81/00/1049908100.db2.gz WYBXMMUXSKWBDJ-IBGZPJMESA-N 0 3 395.507 3.749 20 10 GHCDHN C[C@@H](c1ccccc1F)N1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC001308413945 1049970100 /nfs/dbraw/zinc/97/01/00/1049970100.db2.gz ICZZBGVSXYAMEK-HRAATJIYSA-N 0 3 382.479 3.993 20 10 GHCDHN CN1CCN(c2ccc(CNCc3c(F)cccc3OC(F)(F)F)cc2)CC1 ZINC001308503552 1049992413 /nfs/dbraw/zinc/99/24/13/1049992413.db2.gz NOOXDIWITQTMBU-UHFFFAOYSA-N 0 3 397.416 3.766 20 10 GHCDHN CCN(C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[C@@H]1CCN(C)C1 ZINC001312587434 1052800835 /nfs/dbraw/zinc/80/08/35/1052800835.db2.gz YYVTVGHFHNPHNU-FUHWJXTLSA-N 0 3 392.975 3.812 20 10 GHCDHN C[C@@H](c1ccccc1F)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313411833 1053046187 /nfs/dbraw/zinc/04/61/87/1053046187.db2.gz JHULPHYNJZXNRJ-KKSFZXQISA-N 0 3 386.515 3.897 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC[C@@]4(C3)OCc3ccccc34)cc2F)CC1 ZINC001320717586 1055938641 /nfs/dbraw/zinc/93/86/41/1055938641.db2.gz LLBKLARDGBGDEK-DEOSSOPVSA-N 0 3 395.522 3.599 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000848529995 1057152011 /nfs/dbraw/zinc/15/20/11/1057152011.db2.gz AWALSFHJZPLRAN-KZULUSFZSA-N 0 3 380.282 3.722 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)c1[O-] ZINC000848536453 1057157261 /nfs/dbraw/zinc/15/72/61/1057157261.db2.gz SHFCGVJDYCGRDZ-LRDDRELGSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000848536156 1057158106 /nfs/dbraw/zinc/15/81/06/1057158106.db2.gz LKIUCSQXFXCRAU-XHDPSFHLSA-N 0 3 398.272 3.557 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1[O-] ZINC000848549492 1057169916 /nfs/dbraw/zinc/16/99/16/1057169916.db2.gz WALQAXNPKAALHT-LLVKDONJSA-N 0 3 390.281 3.933 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1[O-] ZINC001346507944 1061631046 /nfs/dbraw/zinc/63/10/46/1061631046.db2.gz YGCMUVLXAGKYGQ-WDEREUQCSA-N 0 3 388.302 3.934 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCN3C3CCCC3)ccc21 ZINC001438225256 1064012145 /nfs/dbraw/zinc/01/21/45/1064012145.db2.gz ITTIFDHLJOXHDJ-HXUWFJFHSA-N 0 3 383.536 3.651 20 10 GHCDHN COc1cccc(Cl)c1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001467168598 1067116411 /nfs/dbraw/zinc/11/64/11/1067116411.db2.gz NPAGKWSIZSFJHX-QGZVFWFLSA-N 0 3 390.915 3.839 20 10 GHCDHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001467860933 1067502601 /nfs/dbraw/zinc/50/26/01/1067502601.db2.gz JLEHUUWQFBRVLV-MRXNPFEDSA-N 0 3 385.483 3.905 20 10 GHCDHN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001467860933 1067502611 /nfs/dbraw/zinc/50/26/11/1067502611.db2.gz JLEHUUWQFBRVLV-MRXNPFEDSA-N 0 3 385.483 3.905 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001468743550 1067857062 /nfs/dbraw/zinc/85/70/62/1067857062.db2.gz HYVUETQALLLUAF-XMSQKQJNSA-N 0 3 380.536 3.523 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CCN2C2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001472069543 1073324176 /nfs/dbraw/zinc/32/41/76/1073324176.db2.gz QLYBVIJLABCJPC-NRFANRHFSA-N 0 3 395.547 3.694 20 10 GHCDHN CCN(CC)c1ccc(CNCc2cccc(NS(=O)(=O)C3CC3)c2)cc1 ZINC001474295262 1074329116 /nfs/dbraw/zinc/32/91/16/1074329116.db2.gz OHTNINBZFXOKAB-UHFFFAOYSA-N 0 3 387.549 3.727 20 10 GHCDHN COc1cc(C)cc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1O ZINC001474332604 1074347857 /nfs/dbraw/zinc/34/78/57/1074347857.db2.gz JNTOGQAHGVMNBB-IBGZPJMESA-N 0 3 383.492 3.885 20 10 GHCDHN COc1c([O-])c(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001474609433 1074482797 /nfs/dbraw/zinc/48/27/97/1074482797.db2.gz GSDPRVTWEHIODX-YESZJQIVSA-N 0 3 399.491 3.792 20 10 GHCDHN COc1c([O-])c(C[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001474609433 1074482802 /nfs/dbraw/zinc/48/28/02/1074482802.db2.gz GSDPRVTWEHIODX-YESZJQIVSA-N 0 3 399.491 3.792 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccccc1[O-] ZINC000156617723 834474663 /nfs/dbraw/zinc/47/46/63/834474663.db2.gz ZURRSIIOQHPDJP-IBGZPJMESA-N 0 3 398.503 3.755 20 10 GHCDHN C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155272301 836717829 /nfs/dbraw/zinc/71/78/29/836717829.db2.gz CLNOPCQYPHNSTN-QGZVFWFLSA-N 0 3 397.494 3.640 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1[O-] ZINC000155303976 836769154 /nfs/dbraw/zinc/76/91/54/836769154.db2.gz MRQWTWBKEGOWQX-LJQANCHMSA-N 0 3 376.522 3.662 20 10 GHCDHN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCCCCC4)cc3)C2=O)n(C)n1 ZINC000181191413 837868865 /nfs/dbraw/zinc/86/88/65/837868865.db2.gz GRBBSGDHCRBTMA-RXVVDRJESA-N 0 3 395.551 3.565 20 10 GHCDHN CCOc1ccc(O)c(CNCc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000237082336 844502406 /nfs/dbraw/zinc/50/24/06/844502406.db2.gz LDAUVSLCMZPKCW-UHFFFAOYSA-N 0 3 380.444 3.604 20 10 GHCDHN CC(=O)OC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000156857433 840809660 /nfs/dbraw/zinc/80/96/60/840809660.db2.gz AYYGFQVBWPZXCC-UHFFFAOYSA-N 0 3 378.266 3.835 20 10 GHCDHN O=C(Nc1cccc(CNCc2cc3c(cc2O)OCO3)c1)c1ccc(F)cc1 ZINC000238134752 844009127 /nfs/dbraw/zinc/00/91/27/844009127.db2.gz DSPPFQRSPOSUNZ-UHFFFAOYSA-N 0 3 394.402 3.802 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C)cc1[O-] ZINC000280026466 846266865 /nfs/dbraw/zinc/26/68/65/846266865.db2.gz HSDQLTWUFCREBR-SFHVURJKSA-N 0 3 392.496 3.621 20 10 GHCDHN C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000158426151 846948645 /nfs/dbraw/zinc/94/86/45/846948645.db2.gz GPSQDEUCFCQONN-HXUWFJFHSA-N 0 3 393.579 3.675 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)c([O-])c1 ZINC000732232406 862165342 /nfs/dbraw/zinc/16/53/42/862165342.db2.gz MABAOYWMLJHUCE-OAHLLOKOSA-N 0 3 391.309 3.922 20 10 GHCDHN COc1ccc2ccc(O)c(CN(C)[C@H]3CCN(c4ccccc4F)C3=O)c2c1 ZINC000732802588 862500968 /nfs/dbraw/zinc/50/09/68/862500968.db2.gz RFZUWNOUZFBEJU-NRFANRHFSA-N 0 3 394.446 3.930 20 10 GHCDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000056876780 855116022 /nfs/dbraw/zinc/11/60/22/855116022.db2.gz FSHQCMTZRYGOTH-UHFFFAOYSA-N 0 3 398.526 3.699 20 10 GHCDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@@]12CCCO2 ZINC000760881981 856212169 /nfs/dbraw/zinc/21/21/69/856212169.db2.gz UUJUJXFEUXAEGQ-QAJUQPOASA-N 0 3 394.943 3.554 20 10 GHCDHN C[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000129037862 856758514 /nfs/dbraw/zinc/75/85/14/856758514.db2.gz CJTDSODFXBPHAS-QGZVFWFLSA-N 0 3 393.959 3.620 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000733334103 862874692 /nfs/dbraw/zinc/87/46/92/862874692.db2.gz AJDQFUNCTPUWKR-HXUWFJFHSA-N 0 3 396.922 3.986 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000763446778 881359967 /nfs/dbraw/zinc/35/99/67/881359967.db2.gz YIORIESEJBSFLW-PKOBYXMFSA-N 0 3 394.284 3.858 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)s1 ZINC000765981531 859495062 /nfs/dbraw/zinc/49/50/62/859495062.db2.gz WKCMPALIFLDTGO-MRXNPFEDSA-N 0 3 398.981 3.877 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1[O-] ZINC000922330066 859616767 /nfs/dbraw/zinc/61/67/67/859616767.db2.gz RXOXWJNXTHAQDC-SJORKVTESA-N 0 3 390.524 3.992 20 10 GHCDHN CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1F ZINC000765017027 859744762 /nfs/dbraw/zinc/74/47/62/859744762.db2.gz VAXPYPJIGDDQCX-UHFFFAOYSA-N 0 3 398.482 3.567 20 10 GHCDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765246838 859864998 /nfs/dbraw/zinc/86/49/98/859864998.db2.gz XWMLRXGQEWZTPR-DENIHFKCSA-N 0 3 393.531 3.700 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3sccc3OC)cc2F)CC1 ZINC000186157670 860529221 /nfs/dbraw/zinc/52/92/21/860529221.db2.gz QMYFJCGSOCISLL-HNNXBMFYSA-N 0 3 377.529 3.889 20 10 GHCDHN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)N1CCCCCC1 ZINC000733892505 863313406 /nfs/dbraw/zinc/31/34/06/863313406.db2.gz GOLSDQIFOGTIQZ-KNQAVFIVSA-N 0 3 387.568 3.525 20 10 GHCDHN Cc1ccccc1C[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000734211870 864084866 /nfs/dbraw/zinc/08/48/66/864084866.db2.gz YZHJYXPXDHXXRI-HSZRJFAPSA-N 0 3 379.548 3.727 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000734385486 864206453 /nfs/dbraw/zinc/20/64/53/864206453.db2.gz NFWCLSXMMZEICD-UHFFFAOYSA-N 0 3 396.604 3.690 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([O-])c1 ZINC000184891323 865026799 /nfs/dbraw/zinc/02/67/99/865026799.db2.gz UUHOTYRZUGPHPW-QGZVFWFLSA-N 0 3 388.533 3.726 20 10 GHCDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000738989362 865683658 /nfs/dbraw/zinc/68/36/58/865683658.db2.gz AQBYPZDLUOWFRO-UHFFFAOYSA-N 0 3 378.536 3.545 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000174374893 865743487 /nfs/dbraw/zinc/74/34/87/865743487.db2.gz BRMDSFAXYHRARY-QGZVFWFLSA-N 0 3 379.504 3.833 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000174374893 865743492 /nfs/dbraw/zinc/74/34/92/865743492.db2.gz BRMDSFAXYHRARY-QGZVFWFLSA-N 0 3 379.504 3.833 20 10 GHCDHN Cc1cccc(-c2n[nH]cc2CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000121307667 866046110 /nfs/dbraw/zinc/04/61/10/866046110.db2.gz HZKIFZVCDDARLK-UHFFFAOYSA-N 0 3 376.504 3.854 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000745293675 869438189 /nfs/dbraw/zinc/43/81/89/869438189.db2.gz SKDACCOUKQOGQZ-HSZRJFAPSA-N 0 3 396.579 3.846 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000182425136 872323678 /nfs/dbraw/zinc/32/36/78/872323678.db2.gz WEGPSPRBPZASDY-CABCVRRESA-N 0 3 386.517 3.969 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000182414600 872334419 /nfs/dbraw/zinc/33/44/19/872334419.db2.gz DOZRYQJOPNECIC-QWHCGFSZSA-N 0 3 378.419 3.549 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)c2)CC1 ZINC000767382742 872482016 /nfs/dbraw/zinc/48/20/16/872482016.db2.gz GVHVQODEOMAPCC-OAQYLSRUSA-N 0 3 393.531 3.973 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)[C@@H](O)CO2 ZINC000768438182 873301378 /nfs/dbraw/zinc/30/13/78/873301378.db2.gz PAVFVKBRSSRXHL-ACJLOTCBSA-N 0 3 382.485 3.807 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)[C@@H](O)CO2 ZINC000768438182 873301393 /nfs/dbraw/zinc/30/13/93/873301393.db2.gz PAVFVKBRSSRXHL-ACJLOTCBSA-N 0 3 382.485 3.807 20 10 GHCDHN CC(C)([NH2+]Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccc(Br)cc1 ZINC000768444513 873308661 /nfs/dbraw/zinc/30/86/61/873308661.db2.gz LZIASPITGZTDOR-MRXNPFEDSA-N 0 3 378.266 3.605 20 10 GHCDHN COc1ccc(O)c(CN2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)c1 ZINC000775737583 873328381 /nfs/dbraw/zinc/32/83/81/873328381.db2.gz QRISRPUGHUWXCI-NRFANRHFSA-N 0 3 390.483 3.948 20 10 GHCDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@@H]2C1 ZINC001197163678 873632538 /nfs/dbraw/zinc/63/25/38/873632538.db2.gz KFRGFOHQIOFZOK-WZGSHADRSA-N 0 3 384.505 3.674 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000769234919 873910655 /nfs/dbraw/zinc/91/06/55/873910655.db2.gz YSMIVTRIPJNODL-OAHLLOKOSA-N 0 3 383.423 3.970 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000769234919 873910667 /nfs/dbraw/zinc/91/06/67/873910667.db2.gz YSMIVTRIPJNODL-OAHLLOKOSA-N 0 3 383.423 3.970 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1[O-] ZINC000775786419 874024626 /nfs/dbraw/zinc/02/46/26/874024626.db2.gz VCDMDKWYYKJASN-MRXNPFEDSA-N 0 3 379.298 3.983 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)CC1 ZINC000775800839 874122737 /nfs/dbraw/zinc/12/27/37/874122737.db2.gz UXMODQHXZWUQIB-SFHVURJKSA-N 0 3 395.551 3.777 20 10 GHCDHN CC(C)Oc1ccc(CCNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832296 874293198 /nfs/dbraw/zinc/29/31/98/874293198.db2.gz YFROKGQYYPOTQT-GOSISDBHSA-N 0 3 383.536 3.549 20 10 GHCDHN C[C@H](NCC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000775837066 874333570 /nfs/dbraw/zinc/33/35/70/874333570.db2.gz RDSKYFMEBDZURB-IBGZPJMESA-N 0 3 395.547 3.611 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc([C@H]4CCOC4)c3)c2)CC1 ZINC000770148173 874500615 /nfs/dbraw/zinc/50/06/15/874500615.db2.gz QVUAWCJEAPXVET-FQEVSTJZSA-N 0 3 379.504 3.585 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)CC1 ZINC000770154851 874517897 /nfs/dbraw/zinc/51/78/97/874517897.db2.gz QMYSYZGKTFCUEF-UHFFFAOYSA-N 0 3 393.409 3.979 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@H]1Oc1ccccc1 ZINC000776009901 875125088 /nfs/dbraw/zinc/12/50/88/875125088.db2.gz YXIODDJZIDSSTA-YVWKXTFCSA-N 0 3 377.868 3.769 20 10 GHCDHN C[C@@H](NCc1cc2ccc(F)cc2[nH]c1=O)c1ccc(N2CCOCC2)cc1 ZINC001199843016 875202882 /nfs/dbraw/zinc/20/28/82/875202882.db2.gz MISIKHRRGVYIBI-OAHLLOKOSA-N 0 3 381.451 3.767 20 10 GHCDHN Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)n2c1 ZINC000771962268 875579724 /nfs/dbraw/zinc/57/97/24/875579724.db2.gz GJRXHJSFROJXRU-GOSISDBHSA-N 0 3 384.911 3.756 20 10 GHCDHN COc1cc(Br)cc(CN[C@H]2CCOc3c(OC)cccc32)c1O ZINC000776175078 875693174 /nfs/dbraw/zinc/69/31/74/875693174.db2.gz GUBWJZRFBQXYHD-AWEZNQCLSA-N 0 3 394.265 3.785 20 10 GHCDHN CCN(CC)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000850405990 876886654 /nfs/dbraw/zinc/88/66/54/876886654.db2.gz NGDOZIKLONKMPX-UHFFFAOYSA-N 0 3 385.527 3.923 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(OC(F)F)c(F)c3)cc2)CC1 ZINC000850405845 876886732 /nfs/dbraw/zinc/88/67/32/876886732.db2.gz HICMGSNJXQQCSH-UHFFFAOYSA-N 0 3 380.410 3.678 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cccc(OC(F)(F)F)c3)cc2)CC1 ZINC000850406176 876886847 /nfs/dbraw/zinc/88/68/47/876886847.db2.gz VLHLKSZQXBHABS-UHFFFAOYSA-N 0 3 380.410 3.836 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C2CC2)cc1 ZINC000850758659 877145011 /nfs/dbraw/zinc/14/50/11/877145011.db2.gz IBCOGMPJUSESBU-QFIPXVFZSA-N 0 3 394.519 3.610 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000850759737 877146557 /nfs/dbraw/zinc/14/65/57/877146557.db2.gz NEOYTZYCJIOKKK-OAQYLSRUSA-N 0 3 382.508 3.515 20 10 GHCDHN O=C(NCCCSc1nccs1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000152195377 877226080 /nfs/dbraw/zinc/22/60/80/877226080.db2.gz XPEOKXPAYCTHKJ-QGZVFWFLSA-N 0 3 390.578 3.762 20 10 GHCDHN C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858453652 883110526 /nfs/dbraw/zinc/11/05/26/883110526.db2.gz NXOPMUZWHSMFLB-UZLBHIALSA-N 0 3 386.923 3.969 20 10 GHCDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000746740039 877989547 /nfs/dbraw/zinc/98/95/47/877989547.db2.gz GKVZKBHCIPGEPG-LJQANCHMSA-N 0 3 380.536 3.559 20 10 GHCDHN CN(C(=O)c1ccc(NCc2c(O)cccc2Cl)cc1)[C@H]1CCCN(C)C1 ZINC000789888894 879316671 /nfs/dbraw/zinc/31/66/71/879316671.db2.gz DJLUPQCVDKBJTN-KRWDZBQOSA-N 0 3 387.911 3.824 20 10 GHCDHN FC(F)(F)c1ccn([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000180801227 879332885 /nfs/dbraw/zinc/33/28/85/879332885.db2.gz SVRBVASLILVGLZ-SFHVURJKSA-N 0 3 394.441 3.576 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000152956855 879976887 /nfs/dbraw/zinc/97/68/87/879976887.db2.gz KXGDEAQWVNUAIP-HXUWFJFHSA-N 0 3 396.560 3.761 20 10 GHCDHN CCc1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000919938623 881211679 /nfs/dbraw/zinc/21/16/79/881211679.db2.gz NQWKNTIOTIKMMW-UHFFFAOYSA-N 0 3 398.507 3.878 20 10 GHCDHN O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000919951239 881239011 /nfs/dbraw/zinc/23/90/11/881239011.db2.gz GKVATWYXJOOXRX-UHFFFAOYSA-N 0 3 384.907 3.882 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c1[O-] ZINC000858533064 883179757 /nfs/dbraw/zinc/17/97/57/883179757.db2.gz QGVCTANLYCWRMU-IUODEOHRSA-N 0 3 383.330 3.831 20 10 GHCDHN CN(C)C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC000806433183 884670468 /nfs/dbraw/zinc/67/04/68/884670468.db2.gz QSRRUWAQWDPECA-NRFANRHFSA-N 0 3 384.499 3.528 20 10 GHCDHN COc1cc(CNCc2ccc3c(c2)CCO3)cc(OC)c1OCC(F)F ZINC000808385841 886316640 /nfs/dbraw/zinc/31/66/40/886316640.db2.gz SCSTWOFZAQWNMS-UHFFFAOYSA-N 0 3 379.403 3.572 20 10 GHCDHN CC(C)C(=O)NC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809544839 887558686 /nfs/dbraw/zinc/55/86/86/887558686.db2.gz CIEDPGACVFBADZ-UHFFFAOYSA-N 0 3 391.559 3.986 20 10 GHCDHN [O-]c1ccc(Br)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713678 887732521 /nfs/dbraw/zinc/73/25/21/887732521.db2.gz XKDMTYFIBMXKCJ-UHFFFAOYSA-N 0 3 387.071 3.913 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nccc2ccccc21 ZINC000810211296 888289645 /nfs/dbraw/zinc/28/96/45/888289645.db2.gz PIRHVXVDFQWYGD-PXNSSMCTSA-N 0 3 388.515 3.787 20 10 GHCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1OC ZINC000810254339 888358215 /nfs/dbraw/zinc/35/82/15/888358215.db2.gz BRDSCJAVZZDCPE-ODIUBACGSA-N 0 3 389.467 3.680 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)c2c1 ZINC000794889578 888686499 /nfs/dbraw/zinc/68/64/99/888686499.db2.gz HHJZBQQAYDBAJF-CALCHBBNSA-N 0 3 398.503 3.853 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)c2c1 ZINC000794889578 888686510 /nfs/dbraw/zinc/68/65/10/888686510.db2.gz HHJZBQQAYDBAJF-CALCHBBNSA-N 0 3 398.503 3.853 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000866484800 888901657 /nfs/dbraw/zinc/90/16/57/888901657.db2.gz DVMZFMNNOOQODC-UONOGXRCSA-N 0 3 385.439 3.921 20 10 GHCDHN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000122767296 890073042 /nfs/dbraw/zinc/07/30/42/890073042.db2.gz RZWZBANJMKDHME-OAQYLSRUSA-N 0 3 383.536 3.769 20 10 GHCDHN COCC[C@H]1COCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000812300468 890550530 /nfs/dbraw/zinc/55/05/30/890550530.db2.gz XFJLPRVAFLRTGT-HNNXBMFYSA-N 0 3 380.282 3.545 20 10 GHCDHN COCC[C@H]1COCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000812300468 890550548 /nfs/dbraw/zinc/55/05/48/890550548.db2.gz XFJLPRVAFLRTGT-HNNXBMFYSA-N 0 3 380.282 3.545 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000717048669 890980214 /nfs/dbraw/zinc/98/02/14/890980214.db2.gz NSTLNZPZNWECCH-CABCVRRESA-N 0 3 382.451 3.861 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1Cn1cccn1 ZINC000873008345 891423289 /nfs/dbraw/zinc/42/32/89/891423289.db2.gz JPVWOEMTGPPXBJ-INIZCTEOSA-N 0 3 378.476 3.749 20 10 GHCDHN C[C@H]1CN(c2ccc(CNCc3ccc4nccnc4c3)cc2F)C[C@H](C)O1 ZINC000873015234 891428711 /nfs/dbraw/zinc/42/87/11/891428711.db2.gz HIHXLKIPLADWFK-HOTGVXAUSA-N 0 3 380.467 3.672 20 10 GHCDHN O[C@H](c1ccccc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000124590977 891705644 /nfs/dbraw/zinc/70/56/44/891705644.db2.gz SVZRTVDGWXKTLB-HSZRJFAPSA-N 0 3 384.495 3.608 20 10 GHCDHN C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681636 893217021 /nfs/dbraw/zinc/21/70/21/893217021.db2.gz BYSSNONNKBHLHU-UTKZUKDTSA-N 0 3 385.577 3.793 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000918183372 893318937 /nfs/dbraw/zinc/31/89/37/893318937.db2.gz LLPAEKUKFNXNSZ-QFIPXVFZSA-N 0 3 382.552 3.505 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(Cc3ccccc3F)CC2)N(C)C)cc1 ZINC001134881743 893479739 /nfs/dbraw/zinc/47/97/39/893479739.db2.gz GGQFOESNJUOSEA-OAQYLSRUSA-N 0 3 383.511 3.634 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)F)cc2F)N(C)C)cc1 ZINC001134882430 893505569 /nfs/dbraw/zinc/50/55/69/893505569.db2.gz PPUZTKOVEQGFLQ-SFHVURJKSA-N 0 3 379.426 3.862 20 10 GHCDHN OCC1([C@@H](NCc2ccc(N3CCC(O)CC3)cc2)c2cccs2)CCC1 ZINC000877576173 893699934 /nfs/dbraw/zinc/69/99/34/893699934.db2.gz JATNYNHXDWYZKQ-NRFANRHFSA-N 0 3 386.561 3.703 20 10 GHCDHN OC1CCN(c2ccc(CNC[C@H](OC3CCCC3)C(F)(F)F)cc2)CC1 ZINC000877624048 893726604 /nfs/dbraw/zinc/72/66/04/893726604.db2.gz HZCFPNIYPPDPNZ-IBGZPJMESA-N 0 3 386.458 3.627 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)cc1 ZINC000826019849 893995583 /nfs/dbraw/zinc/99/55/83/893995583.db2.gz LLXPMBQZFHVRRF-IBGZPJMESA-N 0 3 388.943 3.938 20 10 GHCDHN CN1CCN([C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])c2cccs2)CC1 ZINC000816528650 894897033 /nfs/dbraw/zinc/89/70/33/894897033.db2.gz LFGLVIGDBKQYKI-HXUWFJFHSA-N 0 3 381.545 3.685 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816567119 894949109 /nfs/dbraw/zinc/94/91/09/894949109.db2.gz QUCHVQJSNJKFSE-FQEVSTJZSA-N 0 3 396.512 3.952 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816567119 894949116 /nfs/dbraw/zinc/94/91/16/894949116.db2.gz QUCHVQJSNJKFSE-FQEVSTJZSA-N 0 3 396.512 3.952 20 10 GHCDHN CC(C)[C@@]1(CO)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000816662722 895008305 /nfs/dbraw/zinc/00/83/05/895008305.db2.gz WZBWGYOUWQYDFM-NRFANRHFSA-N 0 3 375.513 3.816 20 10 GHCDHN C[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1[O-] ZINC000879652296 895204653 /nfs/dbraw/zinc/20/46/53/895204653.db2.gz BUYVQARSBPETEA-LPHOPBHVSA-N 0 3 396.487 3.568 20 10 GHCDHN CC[NH2+][C@H](C)CN[C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971482 895988420 /nfs/dbraw/zinc/98/84/20/895988420.db2.gz DKQYLPHHIQQHDF-BDAKNGLRSA-N 0 3 380.124 3.566 20 10 GHCDHN CCN[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971482 895988432 /nfs/dbraw/zinc/98/84/32/895988432.db2.gz DKQYLPHHIQQHDF-BDAKNGLRSA-N 0 3 380.124 3.566 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000817972447 895990255 /nfs/dbraw/zinc/99/02/55/895990255.db2.gz XRRGVCBXAYTXPD-KKZNHRDASA-N 0 3 392.135 3.708 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1F ZINC000130431473 897084261 /nfs/dbraw/zinc/08/42/61/897084261.db2.gz OEZAJXKRHUBNFV-UHFFFAOYSA-N 0 3 392.478 3.853 20 10 GHCDHN c1ccc2c(c1)OC1(CCOCC1)C[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000883394638 897558566 /nfs/dbraw/zinc/55/85/66/897558566.db2.gz DRBMWFPRYDEWAM-JOCHJYFZSA-N 0 3 394.515 3.686 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822653762 898535271 /nfs/dbraw/zinc/53/52/71/898535271.db2.gz AITPZIDZLBNCGF-HXUWFJFHSA-N 0 3 392.540 3.612 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822653762 898535286 /nfs/dbraw/zinc/53/52/86/898535286.db2.gz AITPZIDZLBNCGF-HXUWFJFHSA-N 0 3 392.540 3.612 20 10 GHCDHN CC(C)n1ncc2cc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cnc21 ZINC000111233031 898792822 /nfs/dbraw/zinc/79/28/22/898792822.db2.gz WAGYACDTIQILKB-FQEVSTJZSA-N 0 3 380.492 3.899 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000823842824 899274200 /nfs/dbraw/zinc/27/42/00/899274200.db2.gz RHLKNNRTWDMEPG-QGZVFWFLSA-N 0 3 397.466 3.637 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000823842823 899274277 /nfs/dbraw/zinc/27/42/77/899274277.db2.gz RHLKNNRTWDMEPG-KRWDZBQOSA-N 0 3 397.466 3.637 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1[O-] ZINC000824780575 899801802 /nfs/dbraw/zinc/80/18/02/899801802.db2.gz VDUCZTPNXIBHAU-GOSISDBHSA-N 0 3 380.282 3.815 20 10 GHCDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000825216183 900031374 /nfs/dbraw/zinc/03/13/74/900031374.db2.gz ZISTYXCEPBDYOC-KRWDZBQOSA-N 0 3 389.337 3.809 20 10 GHCDHN Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825326687 900093938 /nfs/dbraw/zinc/09/39/38/900093938.db2.gz PADSEOPRDAGMLF-DENIHFKCSA-N 0 3 393.487 3.715 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000886747365 901252020 /nfs/dbraw/zinc/25/20/20/901252020.db2.gz ROKXRSCNRGCFLK-HXUWFJFHSA-N 0 3 399.535 3.854 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000779003323 902710361 /nfs/dbraw/zinc/71/03/61/902710361.db2.gz MPGZOVITSRCLLT-XHDPSFHLSA-N 0 3 376.298 3.770 20 10 GHCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000846152444 902722615 /nfs/dbraw/zinc/72/26/15/902722615.db2.gz UBOYEEDLOFRYSN-LRDDRELGSA-N 0 3 394.393 3.876 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1[O-] ZINC000779031217 903196525 /nfs/dbraw/zinc/19/65/25/903196525.db2.gz YTGBZGLGILLYNG-BMGDILEWSA-N 0 3 397.357 3.757 20 10 GHCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC001171729873 904957612 /nfs/dbraw/zinc/95/76/12/904957612.db2.gz NUKUCNHHGSCNCM-IBGZPJMESA-N 0 3 382.426 3.816 20 10 GHCDHN Fc1ccc(Cn2cc(CNCc3ccc(N4CCSCC4)cc3)cn2)cc1 ZINC000189051645 905025016 /nfs/dbraw/zinc/02/50/16/905025016.db2.gz KOTDKJOWLKOEEP-UHFFFAOYSA-N 0 3 396.535 3.914 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+]Cc3cccc(O)c3[O-])CC[C@H]2C1 ZINC001172521416 905581622 /nfs/dbraw/zinc/58/16/22/905581622.db2.gz GGDQIJBXLKXQQV-IHPCNDPISA-N 0 3 380.488 3.518 20 10 GHCDHN CCOc1ccc(N2CCN([C@@H](C)Cc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC001173734280 906675777 /nfs/dbraw/zinc/67/57/77/906675777.db2.gz IHICTEMRTYIUAP-SFHVURJKSA-N 0 3 382.504 3.625 20 10 GHCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192920580 908015566 /nfs/dbraw/zinc/01/55/66/908015566.db2.gz ZGNWVSOALGFCRP-MRXNPFEDSA-N 0 3 375.310 3.766 20 10 GHCDHN CC[C@@H](NCc1ccc(N(C)CC)cc1)c1ccccc1OCC(=O)N(C)C ZINC000773812645 909488569 /nfs/dbraw/zinc/48/85/69/909488569.db2.gz RPPKOCRIMXFTRD-OAQYLSRUSA-N 0 3 383.536 3.851 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001180051253 909915642 /nfs/dbraw/zinc/91/56/42/909915642.db2.gz FAMORTSZXMGFRD-HNNXBMFYSA-N 0 3 378.513 3.834 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]cc2Cc2ccccc2)N(C)C)cc1 ZINC001180180061 909977975 /nfs/dbraw/zinc/97/79/75/909977975.db2.gz UXCGAMBOFGSYQN-HSZRJFAPSA-N 0 3 390.531 3.704 20 10 GHCDHN C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC001182773892 912041708 /nfs/dbraw/zinc/04/17/08/912041708.db2.gz VWAJDJHXHGHYQK-IBGZPJMESA-N 0 3 389.337 3.904 20 10 GHCDHN C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC001182773892 912041713 /nfs/dbraw/zinc/04/17/13/912041713.db2.gz VWAJDJHXHGHYQK-IBGZPJMESA-N 0 3 389.337 3.904 20 10 GHCDHN Cn1ccnc1[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000775204781 916252030 /nfs/dbraw/zinc/25/20/30/916252030.db2.gz GLUYTMFEJHKGRU-SFHVURJKSA-N 0 3 383.496 3.698 20 10 GHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cc1OCC(N)=O ZINC000156779966 916613024 /nfs/dbraw/zinc/61/30/24/916613024.db2.gz JKEJJARIVPPGHK-UHFFFAOYSA-N 0 3 398.503 3.600 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cc1OCC(N)=O ZINC000156779966 916613030 /nfs/dbraw/zinc/61/30/30/916613030.db2.gz JKEJJARIVPPGHK-UHFFFAOYSA-N 0 3 398.503 3.600 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775259862 916694634 /nfs/dbraw/zinc/69/46/34/916694634.db2.gz ZSJLZLAWIUZPEJ-AWEZNQCLSA-N 0 3 391.874 3.605 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000775373775 917241057 /nfs/dbraw/zinc/24/10/57/917241057.db2.gz XBPTXJUJUKKUNN-AWEZNQCLSA-N 0 3 398.459 3.732 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000796486016 917715144 /nfs/dbraw/zinc/71/51/44/917715144.db2.gz PEZYXGCJYLKGMJ-YVEFUNNKSA-N 0 3 380.282 3.683 20 10 GHCDHN CN1CCCc2cc(CNC(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)ccc21 ZINC000116167161 919499880 /nfs/dbraw/zinc/49/98/80/919499880.db2.gz FTEQNTIRUUHNGI-NRFANRHFSA-N 0 3 395.522 3.737 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000801527909 921100294 /nfs/dbraw/zinc/10/02/94/921100294.db2.gz DSMQKMDUXSIQKB-JTQLQIEISA-N 0 3 381.226 3.922 20 10 GHCDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000367395611 922080596 /nfs/dbraw/zinc/08/05/96/922080596.db2.gz COHNGZCZRDIMEK-HRAATJIYSA-N 0 3 397.494 3.811 20 10 GHCDHN C[C@H](NCCOC1CCSCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000903444108 923031291 /nfs/dbraw/zinc/03/12/91/923031291.db2.gz MUXWLZXYLOHJFP-HNNXBMFYSA-N 0 3 384.973 3.739 20 10 GHCDHN Cn1ccnc1[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000371427572 924576011 /nfs/dbraw/zinc/57/60/11/924576011.db2.gz XEKSMMJSRJTHSZ-GOSISDBHSA-N 0 3 376.451 3.731 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827376647 925384882 /nfs/dbraw/zinc/38/48/82/925384882.db2.gz GPEYTMDRCZGLOY-CZUORRHYSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827376647 925384893 /nfs/dbraw/zinc/38/48/93/925384893.db2.gz GPEYTMDRCZGLOY-CZUORRHYSA-N 0 3 384.314 3.944 20 10 GHCDHN COC(=O)c1cnc([C@H]2CCCN(Cc3cc(Cl)cc(OC)c3O)C2)s1 ZINC000827942796 926351523 /nfs/dbraw/zinc/35/15/23/926351523.db2.gz SCRJVSZMPAZRNQ-NSHDSACASA-N 0 3 396.896 3.677 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000725851174 926468357 /nfs/dbraw/zinc/46/83/57/926468357.db2.gz JNXWEZBVRLYBIN-INIZCTEOSA-N 0 3 383.492 3.508 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000374806818 927542737 /nfs/dbraw/zinc/54/27/37/927542737.db2.gz IKRHEOGGHDKFMV-PMUMKWKESA-N 0 3 398.341 3.681 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000374806817 927542860 /nfs/dbraw/zinc/54/28/60/927542860.db2.gz IKRHEOGGHDKFMV-IYOUNJFTSA-N 0 3 398.341 3.681 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000757768999 929794186 /nfs/dbraw/zinc/79/41/86/929794186.db2.gz VGTZTOJKQCSGDO-RXVVDRJESA-N 0 3 381.520 3.977 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000758204716 929972434 /nfs/dbraw/zinc/97/24/34/929972434.db2.gz XGOUBWPKPRQSPQ-UTKZUKDTSA-N 0 3 388.515 3.882 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927016997 932382665 /nfs/dbraw/zinc/38/26/65/932382665.db2.gz VIWKTNBWLVWKFH-DZGCQCFKSA-N 0 3 384.314 3.842 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1[O-] ZINC000799737068 933105091 /nfs/dbraw/zinc/10/50/91/933105091.db2.gz UELZPTGGBMSAHE-IBGZPJMESA-N 0 3 376.294 3.777 20 10 GHCDHN Cc1csc(C2(NCc3ccc(N4CCN(C)CC4)c(F)c3)CCCC2)n1 ZINC001116049235 933306094 /nfs/dbraw/zinc/30/60/94/933306094.db2.gz MIMJUYACAACUJR-UHFFFAOYSA-N 0 3 388.556 3.902 20 10 GHCDHN CCC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000929733817 933602556 /nfs/dbraw/zinc/60/25/56/933602556.db2.gz ZLKIDAUJDIGDIH-HXUWFJFHSA-N 0 3 397.523 3.526 20 10 GHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929972750 933737504 /nfs/dbraw/zinc/73/75/04/933737504.db2.gz USZVFHIXPSLENP-OFNKIYASSA-N 0 3 381.472 3.862 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CCc4cc(F)c(F)c(F)c43)cc2F)CC1 ZINC001117789812 934024639 /nfs/dbraw/zinc/02/46/39/934024639.db2.gz ODNLXCSQLQLKRE-QGZVFWFLSA-N 0 3 393.428 3.772 20 10 GHCDHN CSc1ccccc1[C@@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001119439838 934349427 /nfs/dbraw/zinc/34/94/27/934349427.db2.gz XHXPPDWBYQETTH-MRXNPFEDSA-N 0 3 383.561 3.961 20 10 GHCDHN N[C@H](CC1CCCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359489 935619378 /nfs/dbraw/zinc/61/93/78/935619378.db2.gz VYXMMCFDEOLXMS-LJQANCHMSA-N 0 3 395.494 3.671 20 10 GHCDHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275536 1032717096 /nfs/dbraw/zinc/71/70/96/1032717096.db2.gz VRXPOESDLMPJNV-QFIPXVFZSA-N 0 3 392.499 3.674 20 10 GHCDHN COc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc(Br)c1OC ZINC000834640697 1021338741 /nfs/dbraw/zinc/33/87/41/1021338741.db2.gz QPQWQEMTSZFMMS-CQSZACIVSA-N 0 3 378.266 3.949 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000834783851 1021472084 /nfs/dbraw/zinc/47/20/84/1021472084.db2.gz OGLZRBZPJYRDLW-YOEHRIQHSA-N 0 3 376.294 3.583 20 10 GHCDHN CN(Cc1ccncc1)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001140475141 1021770762 /nfs/dbraw/zinc/77/07/62/1021770762.db2.gz VCWNLBBQLVSNMJ-UHFFFAOYSA-N 0 3 396.535 3.771 20 10 GHCDHN CN(C)c1ccc(/C=C\CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000835034968 1021789837 /nfs/dbraw/zinc/78/98/37/1021789837.db2.gz CUZMPYJFWSILSA-HHMVEJHFSA-N 0 3 377.532 3.589 20 10 GHCDHN CN(C)c1ccc(/C=C/CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000835035979 1021792087 /nfs/dbraw/zinc/79/20/87/1021792087.db2.gz IMKGVTSGSJZAJP-SNXGKTBFSA-N 0 3 379.504 3.673 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000835071721 1021862844 /nfs/dbraw/zinc/86/28/44/1021862844.db2.gz ZYOMZIYXCDWCCG-AZUAARDMSA-N 0 3 390.524 3.677 20 10 GHCDHN Cc1ccc(O)c(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC001140621674 1022094641 /nfs/dbraw/zinc/09/46/41/1022094641.db2.gz OWPFPDVXKARFLW-NFBKMPQASA-N 0 3 382.504 3.684 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3C(=O)N(c4ccsc4)C[C@@H]3C2)c(Cl)c1 ZINC001140924905 1022900827 /nfs/dbraw/zinc/90/08/27/1022900827.db2.gz WBLFAAHQWLWKNZ-YOEHRIQHSA-N 0 3 375.925 3.562 20 10 GHCDHN COCCC[N@H+](Cc1ccc(C)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140950925 1022975653 /nfs/dbraw/zinc/97/56/53/1022975653.db2.gz PGANYISTRJSGNA-IBGZPJMESA-N 0 3 392.540 3.939 20 10 GHCDHN COCCC[N@@H+](Cc1ccc(C)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140950925 1022975659 /nfs/dbraw/zinc/97/56/59/1022975659.db2.gz PGANYISTRJSGNA-IBGZPJMESA-N 0 3 392.540 3.939 20 10 GHCDHN CN(C)CCn1nccc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000836699574 1023271070 /nfs/dbraw/zinc/27/10/70/1023271070.db2.gz HOGAIPXBRBICOC-UHFFFAOYSA-N 0 3 398.555 3.535 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(COc3ccccc3OC)CC2)c(OC)c1 ZINC001141030942 1023296590 /nfs/dbraw/zinc/29/65/90/1023296590.db2.gz RSOWQVAOMHYGDU-UHFFFAOYSA-N 0 3 387.476 3.709 20 10 GHCDHN COc1cccc(CN(Cc2ccc(OC)c(OC)c2O)C[C@@H]2CCCO2)c1 ZINC001204851529 1033121199 /nfs/dbraw/zinc/12/11/99/1033121199.db2.gz LCFUVAWMQHIOHC-IBGZPJMESA-N 0 3 387.476 3.599 20 10 GHCDHN COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccc1OCCO ZINC000756455222 1023659784 /nfs/dbraw/zinc/65/97/84/1023659784.db2.gz BPKQSBJXSRXYFI-DVOMOZLQSA-N 0 3 375.440 3.810 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756733360 1023792136 /nfs/dbraw/zinc/79/21/36/1023792136.db2.gz QHTIPTIGXHDDQJ-XYYYAOKXSA-N 0 3 380.463 3.826 20 10 GHCDHN CCOC(=O)c1cnn2cc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cnc12 ZINC001204914881 1033162768 /nfs/dbraw/zinc/16/27/68/1033162768.db2.gz GVHXBZWUKXNHFB-UHFFFAOYSA-N 0 3 394.475 3.556 20 10 GHCDHN CCOC(=O)c1cnn2cc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cnc12 ZINC001204914881 1033162777 /nfs/dbraw/zinc/16/27/77/1033162777.db2.gz GVHXBZWUKXNHFB-UHFFFAOYSA-N 0 3 394.475 3.556 20 10 GHCDHN COC1CCN(c2ccc(CN3C[C@@H](c4ccccc4)[C@](F)(CO)C3)cc2)CC1 ZINC000830738446 1024119330 /nfs/dbraw/zinc/11/93/30/1024119330.db2.gz FRWBAIGXYVGZMS-BJKOFHAPSA-N 0 3 398.522 3.602 20 10 GHCDHN CN1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)[C@H](c2ccccc2)C1 ZINC001138337912 1024699910 /nfs/dbraw/zinc/69/99/10/1024699910.db2.gz GIEPTBJQCKITEX-QFIPXVFZSA-N 0 3 377.532 3.580 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccccc3C(OC)OC)CC2)cc1 ZINC001164329512 1026487390 /nfs/dbraw/zinc/48/73/90/1026487390.db2.gz BEOULGJFSRETMT-UHFFFAOYSA-N 0 3 399.535 3.611 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc(OC)c4cc[nH]c43)CC2)cc1 ZINC001164334076 1026489229 /nfs/dbraw/zinc/48/92/29/1026489229.db2.gz LJECTXIWJPMFND-UHFFFAOYSA-N 0 3 394.519 3.809 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)ccc1N(C)C ZINC001139672392 1026527591 /nfs/dbraw/zinc/52/75/91/1026527591.db2.gz WDXOQTMYLSKJFL-QFIPXVFZSA-N 0 3 377.532 3.857 20 10 GHCDHN CCOc1ccc(N2CCN(Cc3ccccc3-n3ccnc3C)CC2)cc1 ZINC001140027235 1026815754 /nfs/dbraw/zinc/81/57/54/1026815754.db2.gz DDXSFLOWZQCUAH-UHFFFAOYSA-N 0 3 376.504 3.902 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cc(F)cc(F)c3)CC1)[C@@H](O)CO2 ZINC000840141535 1027271729 /nfs/dbraw/zinc/27/17/29/1027271729.db2.gz AXPHVTQWPZMHAI-FQEVSTJZSA-N 0 3 375.415 3.551 20 10 GHCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203601787 1027464924 /nfs/dbraw/zinc/46/49/24/1027464924.db2.gz LCRRCONFQFXEHS-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203601787 1027464932 /nfs/dbraw/zinc/46/49/32/1027464932.db2.gz LCRRCONFQFXEHS-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1cccc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001203617160 1027480932 /nfs/dbraw/zinc/48/09/32/1027480932.db2.gz KKBXNXUYYKIEHH-AWEZNQCLSA-N 0 3 397.397 3.643 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(Br)c3)C2)c([O-])c1 ZINC001203635183 1027491923 /nfs/dbraw/zinc/49/19/23/1027491923.db2.gz NPIVNDSZOHABJZ-QGZVFWFLSA-N 0 3 378.266 3.817 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(Br)c3)C2)c([O-])c1 ZINC001203635183 1027491941 /nfs/dbraw/zinc/49/19/41/1027491941.db2.gz NPIVNDSZOHABJZ-QGZVFWFLSA-N 0 3 378.266 3.817 20 10 GHCDHN COc1ccc(O)c(CN2CCN(c3ccc(Br)cc3C)CC2)c1 ZINC001203681194 1027526689 /nfs/dbraw/zinc/52/66/89/1027526689.db2.gz PWYGLWAXDVPHKS-UHFFFAOYSA-N 0 3 391.309 3.794 20 10 GHCDHN CN(C)c1ccc(CN2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)cc1 ZINC001203930320 1027723133 /nfs/dbraw/zinc/72/31/33/1027723133.db2.gz RVCIMYLWDLQWLK-QFIPXVFZSA-N 0 3 379.504 3.911 20 10 GHCDHN CN(C)c1ccc(CN2CC(c3ncn4cc(Br)ccc34)C2)cc1 ZINC001203937687 1027731224 /nfs/dbraw/zinc/73/12/24/1027731224.db2.gz LUFANQVFDXLKOF-UHFFFAOYSA-N 0 3 385.309 3.762 20 10 GHCDHN COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000840809302 1027848953 /nfs/dbraw/zinc/84/89/53/1027848953.db2.gz QEQCRSABTCCSNL-ZFWWWQNUSA-N 0 3 394.309 3.898 20 10 GHCDHN CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000840961633 1027993469 /nfs/dbraw/zinc/99/34/69/1027993469.db2.gz CIPDQYSYSMJONV-KRWDZBQOSA-N 0 3 379.497 3.904 20 10 GHCDHN CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000840961633 1027993471 /nfs/dbraw/zinc/99/34/71/1027993471.db2.gz CIPDQYSYSMJONV-KRWDZBQOSA-N 0 3 379.497 3.904 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c1[O-] ZINC000841763592 1028919956 /nfs/dbraw/zinc/91/99/56/1028919956.db2.gz NYJBJERMIQTFBV-ZDUSSCGKSA-N 0 3 386.330 3.681 20 10 GHCDHN Cn1cc2c(cccc2CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001142473555 1028976548 /nfs/dbraw/zinc/97/65/48/1028976548.db2.gz PHRSWZRTBRPBLI-UHFFFAOYSA-N 0 3 390.409 3.794 20 10 GHCDHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1Cc1cc(C)cc(OC)c1O ZINC001205409240 1033397856 /nfs/dbraw/zinc/39/78/56/1033397856.db2.gz JYNLXYBCKIJDMP-HSZRJFAPSA-N 0 3 383.488 3.850 20 10 GHCDHN Cn1c2cc(C[NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])ccc2oc1=O ZINC001207075639 1034080929 /nfs/dbraw/zinc/08/09/29/1034080929.db2.gz GVEJCSYRGOGRSP-UHFFFAOYSA-N 0 3 390.439 3.706 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001207829006 1034606780 /nfs/dbraw/zinc/60/67/80/1034606780.db2.gz WTTUNMJFBSBMBJ-PBHICJAKSA-N 0 3 396.478 3.889 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001207829006 1034606788 /nfs/dbraw/zinc/60/67/88/1034606788.db2.gz WTTUNMJFBSBMBJ-PBHICJAKSA-N 0 3 396.478 3.889 20 10 GHCDHN COc1ccc(Br)c(CN2CCCC[C@H]2C[NH+]2CCCC2)c1[O-] ZINC001231552220 1034704230 /nfs/dbraw/zinc/70/42/30/1034704230.db2.gz AVEVDRNRVSORKC-AWEZNQCLSA-N 0 3 383.330 3.614 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@@H](Oc3ccccc3)C2)c1O ZINC001231552869 1034705126 /nfs/dbraw/zinc/70/51/26/1034705126.db2.gz LXPVSNLBDNTZFM-CQSZACIVSA-N 0 3 378.266 3.817 20 10 GHCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1[O-] ZINC001231554404 1034707751 /nfs/dbraw/zinc/70/77/51/1034707751.db2.gz RALWGWGYRLFAHC-CQSZACIVSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1[O-] ZINC001231554404 1034707770 /nfs/dbraw/zinc/70/77/70/1034707770.db2.gz RALWGWGYRLFAHC-CQSZACIVSA-N 0 3 377.282 3.765 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001231587896 1034742684 /nfs/dbraw/zinc/74/26/84/1034742684.db2.gz OQLKKDXRXLDENQ-JWNTYJGQSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001231587896 1034742698 /nfs/dbraw/zinc/74/26/98/1034742698.db2.gz OQLKKDXRXLDENQ-JWNTYJGQSA-N 0 3 390.483 3.999 20 10 GHCDHN COc1ccccc1C(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590051 1034743156 /nfs/dbraw/zinc/74/31/56/1034743156.db2.gz ZYAOLBLINMDAGO-UHFFFAOYSA-N 0 3 390.483 3.948 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001231851906 1034942753 /nfs/dbraw/zinc/94/27/53/1034942753.db2.gz OJARSDHUSAWLQK-QFIPXVFZSA-N 0 3 389.540 3.737 20 10 GHCDHN CCN(C)c1cc(C)nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160616382 1035016591 /nfs/dbraw/zinc/01/65/91/1035016591.db2.gz IXXJLJZIZAZICC-NHCUHLMSSA-N 0 3 393.491 3.506 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1cc(-c2ccccn2)ncn1)c1ccccc1O ZINC001160624521 1035019929 /nfs/dbraw/zinc/01/99/29/1035019929.db2.gz QIEQLSXAJVSPRA-DHIUTWEWSA-N 0 3 399.454 3.803 20 10 GHCDHN CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)C1(N)CC(F)C1 ZINC001160929402 1035096564 /nfs/dbraw/zinc/09/65/64/1035096564.db2.gz CBKLIDBOWYKHOT-UHFFFAOYSA-N 0 3 378.491 3.895 20 10 GHCDHN COc1ccc(CN2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)c(O)c1OC ZINC001461959896 1069915939 /nfs/dbraw/zinc/91/59/39/1069915939.db2.gz LFUNSQXOOWVICT-GOEBONIOSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc(I)cc(C[N@H+](C)Cc2ccccc2C)c1[O-] ZINC001248396590 1035807658 /nfs/dbraw/zinc/80/76/58/1035807658.db2.gz WHLSHYDXMLPHAQ-UHFFFAOYSA-N 0 3 397.256 3.946 20 10 GHCDHN COc1cc(I)cc(C[N@@H+](C)Cc2ccccc2C)c1[O-] ZINC001248396590 1035807673 /nfs/dbraw/zinc/80/76/73/1035807673.db2.gz WHLSHYDXMLPHAQ-UHFFFAOYSA-N 0 3 397.256 3.946 20 10 GHCDHN C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248882420 1036222057 /nfs/dbraw/zinc/22/20/57/1036222057.db2.gz ISIJKDADBGYSBB-OAHLLOKOSA-N 0 3 390.959 3.733 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1[O-] ZINC001233108660 1038895946 /nfs/dbraw/zinc/89/59/46/1038895946.db2.gz NZDCXATYDCVHEU-CVEARBPZSA-N 0 3 387.277 3.631 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1[O-] ZINC001233108660 1038895973 /nfs/dbraw/zinc/89/59/73/1038895973.db2.gz NZDCXATYDCVHEU-CVEARBPZSA-N 0 3 387.277 3.631 20 10 GHCDHN COc1cc([O-])c(CN2CCCC[C@H]2C[NH+]2CCCC2)cc1Br ZINC001233138578 1038917511 /nfs/dbraw/zinc/91/75/11/1038917511.db2.gz BHGUSCMDVCPIJO-HNNXBMFYSA-N 0 3 383.330 3.614 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c1O ZINC001233290312 1039073708 /nfs/dbraw/zinc/07/37/08/1039073708.db2.gz VYRYRSILRBOQGB-HNNXBMFYSA-N 0 3 384.904 3.933 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC001233290312 1039073728 /nfs/dbraw/zinc/07/37/28/1039073728.db2.gz VYRYRSILRBOQGB-HNNXBMFYSA-N 0 3 384.904 3.933 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC001233290312 1039073745 /nfs/dbraw/zinc/07/37/45/1039073745.db2.gz VYRYRSILRBOQGB-HNNXBMFYSA-N 0 3 384.904 3.933 20 10 GHCDHN COc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001233290184 1039075358 /nfs/dbraw/zinc/07/53/58/1039075358.db2.gz NNLNAKRZUXNDAR-FVCICTRLSA-N 0 3 396.915 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1[O-] ZINC001233290184 1039075376 /nfs/dbraw/zinc/07/53/76/1039075376.db2.gz NNLNAKRZUXNDAR-FVCICTRLSA-N 0 3 396.915 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1[O-] ZINC001233290184 1039075394 /nfs/dbraw/zinc/07/53/94/1039075394.db2.gz NNLNAKRZUXNDAR-FVCICTRLSA-N 0 3 396.915 3.789 20 10 GHCDHN CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233767545 1039600670 /nfs/dbraw/zinc/60/06/70/1039600670.db2.gz DXPGMSIUXOHXPQ-GFCCVEGCSA-N 0 3 375.387 3.845 20 10 GHCDHN CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233767545 1039600683 /nfs/dbraw/zinc/60/06/83/1039600683.db2.gz DXPGMSIUXOHXPQ-GFCCVEGCSA-N 0 3 375.387 3.845 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(C(=O)c4ccccc4)CC3)cc2F)CC1 ZINC001253981980 1039934005 /nfs/dbraw/zinc/93/40/05/1039934005.db2.gz WBAVLDAFWJXQTC-UHFFFAOYSA-N 0 3 395.522 3.672 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(c4ccc(F)cn4)CC3)c2c1 ZINC001234519412 1040096781 /nfs/dbraw/zinc/09/67/81/1040096781.db2.gz XQSVAICYBFNMJI-UHFFFAOYSA-N 0 3 381.451 3.800 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(c4ccc(F)cn4)CC3)c2c1 ZINC001234519412 1040096796 /nfs/dbraw/zinc/09/67/96/1040096796.db2.gz XQSVAICYBFNMJI-UHFFFAOYSA-N 0 3 381.451 3.800 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CF)c2ccc(F)cc2)N(C)C)cc1 ZINC001235464865 1040950185 /nfs/dbraw/zinc/95/01/85/1040950185.db2.gz QRTVVIWOZPIKPD-VQTJNVASSA-N 0 3 390.478 3.504 20 10 GHCDHN CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4ccc(C(C)(C)C)cc4[O-])C[C@@H]32)N=C1C ZINC001235681050 1041145175 /nfs/dbraw/zinc/14/51/75/1041145175.db2.gz ZGZWIDUUMOIWHA-BVZALQNUSA-N 0 3 383.536 3.551 20 10 GHCDHN CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4ccc(C(C)(C)C)cc4[O-])C[C@@H]32)N=C1C ZINC001235681050 1041145190 /nfs/dbraw/zinc/14/51/90/1041145190.db2.gz ZGZWIDUUMOIWHA-BVZALQNUSA-N 0 3 383.536 3.551 20 10 GHCDHN CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256232774 1041667858 /nfs/dbraw/zinc/66/78/58/1041667858.db2.gz UFODKBDFHNAEFG-QFIPXVFZSA-N 0 3 398.551 3.596 20 10 GHCDHN COC(=O)c1ccc([C@H]2CCCCN2Cc2cc(OC)c(OC)cc2O)cc1 ZINC001236757295 1041875207 /nfs/dbraw/zinc/87/52/07/1041875207.db2.gz PEBOJIIKUNURON-GOSISDBHSA-N 0 3 385.460 3.923 20 10 GHCDHN COc1cc(C)c(CN2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c(O)c1 ZINC001236806728 1041907879 /nfs/dbraw/zinc/90/78/79/1041907879.db2.gz ABCWOTZMKBXBQG-FDDCHVKYSA-N 0 3 398.503 3.554 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236807689 1041908858 /nfs/dbraw/zinc/90/88/58/1041908858.db2.gz JBQQDHYDRZNZFP-QFIPXVFZSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236807689 1041908862 /nfs/dbraw/zinc/90/88/62/1041908862.db2.gz JBQQDHYDRZNZFP-QFIPXVFZSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809271 1041909362 /nfs/dbraw/zinc/90/93/62/1041909362.db2.gz VCQHKGCXUMIQRV-GDBMZVCRSA-N 0 3 378.513 3.692 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809271 1041909364 /nfs/dbraw/zinc/90/93/64/1041909364.db2.gz VCQHKGCXUMIQRV-GDBMZVCRSA-N 0 3 378.513 3.692 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001236809554 1041910522 /nfs/dbraw/zinc/91/05/22/1041910522.db2.gz XWELKOSLDCCKEM-MAUKXSAKSA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001236809554 1041910524 /nfs/dbraw/zinc/91/05/24/1041910524.db2.gz XWELKOSLDCCKEM-MAUKXSAKSA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001236814998 1041913598 /nfs/dbraw/zinc/91/35/98/1041913598.db2.gz ZJVXJELTPOJWMG-HSZRJFAPSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001236814998 1041913602 /nfs/dbraw/zinc/91/36/02/1041913602.db2.gz ZJVXJELTPOJWMG-HSZRJFAPSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1ccc(NC(=O)NC2CC[NH+](Cc3c(C)cc(OC)cc3[O-])CC2)cc1 ZINC001236815980 1041914318 /nfs/dbraw/zinc/91/43/18/1041914318.db2.gz PSVIRDFPEOVEHD-UHFFFAOYSA-N 0 3 399.491 3.504 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001236830170 1041920583 /nfs/dbraw/zinc/92/05/83/1041920583.db2.gz MVNULFFDEXQILL-QPTUXGOLSA-N 0 3 397.515 3.720 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001236830170 1041920586 /nfs/dbraw/zinc/92/05/86/1041920586.db2.gz MVNULFFDEXQILL-QPTUXGOLSA-N 0 3 397.515 3.720 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001236830170 1041920587 /nfs/dbraw/zinc/92/05/87/1041920587.db2.gz MVNULFFDEXQILL-QPTUXGOLSA-N 0 3 397.515 3.720 20 10 GHCDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1C ZINC001236927775 1041961477 /nfs/dbraw/zinc/96/14/77/1041961477.db2.gz WKCZBMZWAWIUHC-DLBZAZTESA-N 0 3 394.943 3.588 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c([O-])c1 ZINC001237043485 1042004037 /nfs/dbraw/zinc/00/40/37/1042004037.db2.gz GMJZPEYHNGXGAN-NRFANRHFSA-N 0 3 396.487 3.949 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)c([O-])c1 ZINC001237047636 1042006780 /nfs/dbraw/zinc/00/67/80/1042006780.db2.gz DCRUTUUIRXAWFH-FQEVSTJZSA-N 0 3 379.504 3.549 20 10 GHCDHN CCOc1ccc(C[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001237049438 1042009462 /nfs/dbraw/zinc/00/94/62/1042009462.db2.gz FPAVEFIHUWLLEG-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001237049438 1042009466 /nfs/dbraw/zinc/00/94/66/1042009466.db2.gz FPAVEFIHUWLLEG-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001237053196 1042011872 /nfs/dbraw/zinc/01/18/72/1042011872.db2.gz HTVJZDUBGDYWFG-CQSZACIVSA-N 0 3 387.320 3.613 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001237053196 1042011875 /nfs/dbraw/zinc/01/18/75/1042011875.db2.gz HTVJZDUBGDYWFG-CQSZACIVSA-N 0 3 387.320 3.613 20 10 GHCDHN CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057322 1042013977 /nfs/dbraw/zinc/01/39/77/1042013977.db2.gz QUYNYGBKBCLEKE-AWEZNQCLSA-N 0 3 389.414 3.887 20 10 GHCDHN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057322 1042013985 /nfs/dbraw/zinc/01/39/85/1042013985.db2.gz QUYNYGBKBCLEKE-AWEZNQCLSA-N 0 3 389.414 3.887 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487669 1042230670 /nfs/dbraw/zinc/23/06/70/1042230670.db2.gz CYOVIQUZIAESFP-DNQXCXABSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487669 1042230675 /nfs/dbraw/zinc/23/06/75/1042230675.db2.gz CYOVIQUZIAESFP-DNQXCXABSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 ZINC001237488814 1042232369 /nfs/dbraw/zinc/23/23/69/1042232369.db2.gz RCICSTZKFYUEMV-UHFFFAOYSA-N 0 3 382.479 3.997 20 10 GHCDHN CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])CC2 ZINC001237643748 1042300894 /nfs/dbraw/zinc/30/08/94/1042300894.db2.gz RCHOCCBIZCECBM-FQEVSTJZSA-N 0 3 382.479 3.889 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683914 1042325090 /nfs/dbraw/zinc/32/50/90/1042325090.db2.gz JSECLDODAIIPTB-PBHICJAKSA-N 0 3 377.941 3.907 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683914 1042325096 /nfs/dbraw/zinc/32/50/96/1042325096.db2.gz JSECLDODAIIPTB-PBHICJAKSA-N 0 3 377.941 3.907 20 10 GHCDHN COCCC[N@H+](Cc1cc(F)cc(C)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238064768 1042480560 /nfs/dbraw/zinc/48/05/60/1042480560.db2.gz BJLKPUIPFJKFPT-GOSISDBHSA-N 0 3 396.503 3.688 20 10 GHCDHN COCCC[N@@H+](Cc1cc(F)cc(C)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238064768 1042480564 /nfs/dbraw/zinc/48/05/64/1042480564.db2.gz BJLKPUIPFJKFPT-GOSISDBHSA-N 0 3 396.503 3.688 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001257795272 1044179256 /nfs/dbraw/zinc/17/92/56/1044179256.db2.gz BDXJPVRWYAZJCK-IERDGZPVSA-N 0 3 376.497 3.757 20 10 GHCDHN Cc1noc([C@@H]2CC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)n1 ZINC000840124519 1045902960 /nfs/dbraw/zinc/90/29/60/1045902960.db2.gz OINBAZCJTLQHNA-CYBMUJFWSA-N 0 3 388.265 3.989 20 10 GHCDHN Cc1noc([C@@H]2CC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)n1 ZINC000840124519 1045902965 /nfs/dbraw/zinc/90/29/65/1045902965.db2.gz OINBAZCJTLQHNA-CYBMUJFWSA-N 0 3 388.265 3.989 20 10 GHCDHN CN(C)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001303508837 1047408611 /nfs/dbraw/zinc/40/86/11/1047408611.db2.gz XKTVQNJHTBRYPI-XBXARRHUSA-N 0 3 380.366 3.830 20 10 GHCDHN Cc1ccc2[nH]c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2c1C ZINC001304769733 1047764437 /nfs/dbraw/zinc/76/44/37/1047764437.db2.gz ZJABUDXAXCEZJA-JOCHJYFZSA-N 0 3 378.520 3.883 20 10 GHCDHN O=C(Cc1ccsc1)N1C[C@@H]2CC[N@@H+](Cc3c([O-])ccc(F)c3Cl)[C@@H]2C1 ZINC001279683889 1047912578 /nfs/dbraw/zinc/91/25/78/1047912578.db2.gz LBCUNHVENVZDSD-XJKSGUPXSA-N 0 3 394.899 3.522 20 10 GHCDHN O=C(Cc1ccsc1)N1C[C@@H]2CC[N@H+](Cc3c([O-])ccc(F)c3Cl)[C@@H]2C1 ZINC001279683889 1047912582 /nfs/dbraw/zinc/91/25/82/1047912582.db2.gz LBCUNHVENVZDSD-XJKSGUPXSA-N 0 3 394.899 3.522 20 10 GHCDHN COc1cc([O-])c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)cc1Br ZINC001279706763 1047925776 /nfs/dbraw/zinc/92/57/76/1047925776.db2.gz SCLQNGWAJPYABJ-SUMWQHHRSA-N 0 3 395.341 3.612 20 10 GHCDHN COc1cc([O-])c(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)cc1Br ZINC001279706763 1047925781 /nfs/dbraw/zinc/92/57/81/1047925781.db2.gz SCLQNGWAJPYABJ-SUMWQHHRSA-N 0 3 395.341 3.612 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CSc2ccc3c(c2)CCC3)N(C)C)cc1 ZINC001463285592 1070963161 /nfs/dbraw/zinc/96/31/61/1070963161.db2.gz UZGTUYGDHIZGCV-QFIPXVFZSA-N 0 3 397.588 3.753 20 10 GHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCCc2ccccc21 ZINC001307566065 1049406509 /nfs/dbraw/zinc/40/65/09/1049406509.db2.gz GQFQETQTCJMYRG-NRFANRHFSA-N 0 3 394.515 3.743 20 10 GHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCCc2ccccc21 ZINC001307566065 1049406515 /nfs/dbraw/zinc/40/65/15/1049406515.db2.gz GQFQETQTCJMYRG-NRFANRHFSA-N 0 3 394.515 3.743 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(-n3cccc3)cc2)N(C)C)cc1 ZINC001289599455 1049555903 /nfs/dbraw/zinc/55/59/03/1049555903.db2.gz CNZATUMQADYUET-HSZRJFAPSA-N 0 3 390.531 3.505 20 10 GHCDHN Cc1ccc(Cl)cc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289602153 1049556940 /nfs/dbraw/zinc/55/69/40/1049556940.db2.gz LABAUTSPKFWIEW-IBGZPJMESA-N 0 3 389.927 3.512 20 10 GHCDHN CN(C)c1cc(F)c(CNCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001308257331 1049928680 /nfs/dbraw/zinc/92/86/80/1049928680.db2.gz QCZDVCSMZQTPDV-AWEZNQCLSA-N 0 3 383.483 3.768 20 10 GHCDHN COc1cc(CNC2CN(C(=O)OCc3ccccc3)C2)c(O)c(C(C)(C)C)c1 ZINC001308433381 1049975418 /nfs/dbraw/zinc/97/54/18/1049975418.db2.gz KJRBEGIVIOUOIL-UHFFFAOYSA-N 0 3 398.503 3.809 20 10 GHCDHN CCCN1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC001308657211 1050049738 /nfs/dbraw/zinc/04/97/38/1050049738.db2.gz POYCFUGHERSKHP-UHFFFAOYSA-N 0 3 380.374 3.967 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cccc(OC4CC4)c3F)cc2F)CC1 ZINC001330301327 1050996301 /nfs/dbraw/zinc/99/63/01/1050996301.db2.gz LDBSBAKBDKZTLC-UHFFFAOYSA-N 0 3 387.474 3.548 20 10 GHCDHN COc1ccccc1CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001319690922 1055400161 /nfs/dbraw/zinc/40/01/61/1055400161.db2.gz LFSKTQKYCFJWQI-UHFFFAOYSA-N 0 3 383.511 3.751 20 10 GHCDHN CN1CCN(c2ccc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2F)CC1 ZINC001319798838 1055475329 /nfs/dbraw/zinc/47/53/29/1055475329.db2.gz NRRVXADZBRNIEQ-UHFFFAOYSA-N 0 3 398.482 3.650 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(OC4CCCC4)CC3)cc2F)CC1 ZINC001319949759 1055558196 /nfs/dbraw/zinc/55/81/96/1055558196.db2.gz DSISYAINUROKSF-UHFFFAOYSA-N 0 3 375.532 3.501 20 10 GHCDHN CN(Cc1ccc(C(N)=O)cc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001323793468 1057013679 /nfs/dbraw/zinc/01/36/79/1057013679.db2.gz IXOLTNMBKAJXBC-UHFFFAOYSA-N 0 3 385.511 3.980 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)c1[O-] ZINC000848526428 1057148907 /nfs/dbraw/zinc/14/89/07/1057148907.db2.gz XBJSSJPJYBMPJV-BXUZGUMPSA-N 0 3 378.266 3.818 20 10 GHCDHN Cc1nn(-c2ccc(C)cc2)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000848529519 1057152730 /nfs/dbraw/zinc/15/27/30/1057152730.db2.gz PDLSQGPPRHNJCE-UHFFFAOYSA-N 0 3 376.504 3.616 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)c2sccc2C)c1[O-] ZINC000848534359 1057155448 /nfs/dbraw/zinc/15/54/48/1057155448.db2.gz QVOZEXYKGZGQDQ-GXFFZTMASA-N 0 3 386.311 3.917 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)F)c2F)N(C)C)cc1 ZINC001439963257 1058371520 /nfs/dbraw/zinc/37/15/20/1058371520.db2.gz YQMXVUHENOOMMF-QGZVFWFLSA-N 0 3 379.426 3.862 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001460022326 1064353619 /nfs/dbraw/zinc/35/36/19/1064353619.db2.gz GFNPKHAKHRZZDE-SFHVURJKSA-N 0 3 378.513 3.630 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001460022326 1064353626 /nfs/dbraw/zinc/35/36/26/1064353626.db2.gz GFNPKHAKHRZZDE-SFHVURJKSA-N 0 3 378.513 3.630 20 10 GHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001200255238 1065748464 /nfs/dbraw/zinc/74/84/64/1065748464.db2.gz MWVLMQUOXWTSHA-INIZCTEOSA-N 0 3 388.506 3.633 20 10 GHCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001353665637 1066121955 /nfs/dbraw/zinc/12/19/55/1066121955.db2.gz INYWIAHEWFZKOA-APWZRJJASA-N 0 3 390.487 3.786 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)C[C@@H](C)O4)c2)CC1 ZINC001466650087 1066234047 /nfs/dbraw/zinc/23/40/47/1066234047.db2.gz IONDPFWBOBDLFW-QGZVFWFLSA-N 0 3 379.504 3.793 20 10 GHCDHN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccccc1O)c1cccc(OC)c1 ZINC001467816499 1067480532 /nfs/dbraw/zinc/48/05/32/1067480532.db2.gz IRCCYFHTTIZHJF-OXQOHEQNSA-N 0 3 385.508 3.844 20 10 GHCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(F)c1F ZINC001478254283 1078786816 /nfs/dbraw/zinc/78/68/16/1078786816.db2.gz FYGJDGACKXMYIA-IFXJQAMLSA-N 0 3 390.478 3.694 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(C)c3ccccc32)N(C)C)cc1 ZINC001479535821 1079224884 /nfs/dbraw/zinc/22/48/84/1079224884.db2.gz ZXJGVYXSKWBIMN-NRFANRHFSA-N 0 3 380.536 3.863 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccccc1[O-] ZINC000156617853 834474415 /nfs/dbraw/zinc/47/44/15/834474415.db2.gz ZURRSIIOQHPDJP-LJQANCHMSA-N 0 3 398.503 3.755 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)c2c1 ZINC000014225424 839267485 /nfs/dbraw/zinc/26/74/85/839267485.db2.gz LUXAJBNHOIRCSA-UHFFFAOYSA-N 0 3 390.483 3.948 20 10 GHCDHN CN(C)c1ccc(CNCc2cccnc2-n2ccnc2)c(C(F)(F)F)c1 ZINC000280003359 846264417 /nfs/dbraw/zinc/26/44/17/846264417.db2.gz RXLIKAWIIXVMKA-UHFFFAOYSA-N 0 3 375.398 3.642 20 10 GHCDHN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000272130096 846999036 /nfs/dbraw/zinc/99/90/36/846999036.db2.gz RORGICHMPXXQLR-KXBFYZLASA-N 0 3 396.457 3.511 20 10 GHCDHN CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000161539414 849098899 /nfs/dbraw/zinc/09/88/99/849098899.db2.gz GHVYJDHDUVLKBY-KKSFZXQISA-N 0 3 389.565 3.805 20 10 GHCDHN COc1ccc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)c(O)c1OC ZINC000894694711 851941456 /nfs/dbraw/zinc/94/14/56/851941456.db2.gz NGNKZGMJTBQIHU-OAHLLOKOSA-N 0 3 385.382 3.642 20 10 GHCDHN COc1ccc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c(O)c1OC ZINC000894847320 853052587 /nfs/dbraw/zinc/05/25/87/853052587.db2.gz CFXDDYXEQIRPJC-LJQANCHMSA-N 0 3 393.430 3.633 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000151120611 853090547 /nfs/dbraw/zinc/09/05/47/853090547.db2.gz RTFAINJMWFSPFP-OALUTQOASA-N 0 3 392.293 3.688 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000151120611 853090554 /nfs/dbraw/zinc/09/05/54/853090554.db2.gz RTFAINJMWFSPFP-OALUTQOASA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c2c1c(F)ccc2[O-] ZINC000760029245 853777213 /nfs/dbraw/zinc/77/72/13/853777213.db2.gz MWHUDEKFKASYNI-QMTHXVAHSA-N 0 3 383.872 3.926 20 10 GHCDHN COc1cccc(CN(C)C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613260 863063337 /nfs/dbraw/zinc/06/33/37/863063337.db2.gz HXDPGAKLWKBXLZ-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613260 863063352 /nfs/dbraw/zinc/06/33/52/863063352.db2.gz HXDPGAKLWKBXLZ-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000160530924 858991862 /nfs/dbraw/zinc/99/18/62/858991862.db2.gz CUHSPACYRIEQKQ-HXUWFJFHSA-N 0 3 388.552 3.658 20 10 GHCDHN CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000160530924 858991867 /nfs/dbraw/zinc/99/18/67/858991867.db2.gz CUHSPACYRIEQKQ-HXUWFJFHSA-N 0 3 388.552 3.658 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000761206308 859123792 /nfs/dbraw/zinc/12/37/92/859123792.db2.gz VXDCPSIVZDRAKS-CHWSQXEVSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000761206308 859123797 /nfs/dbraw/zinc/12/37/97/859123797.db2.gz VXDCPSIVZDRAKS-CHWSQXEVSA-N 0 3 384.904 3.789 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 ZINC000765244826 859862443 /nfs/dbraw/zinc/86/24/43/859862443.db2.gz OCGXGUIMCXWBNX-DZGCQCFKSA-N 0 3 377.941 3.954 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000727170687 859982927 /nfs/dbraw/zinc/98/29/27/859982927.db2.gz ZNSTYHXITLPMLH-MRXNPFEDSA-N 0 3 375.310 3.978 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000727170687 859982932 /nfs/dbraw/zinc/98/29/32/859982932.db2.gz ZNSTYHXITLPMLH-MRXNPFEDSA-N 0 3 375.310 3.978 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)c([O-])c1 ZINC000922791565 860597107 /nfs/dbraw/zinc/59/71/07/860597107.db2.gz PCTMRHRBFLOQMO-ASNBIDDJSA-N 0 3 391.508 3.550 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000840759766 863823210 /nfs/dbraw/zinc/82/32/10/863823210.db2.gz MYZMOEXAXMOOEZ-PXAZEXFGSA-N 0 3 392.421 3.984 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)cc4cccnc43)c2)CC1 ZINC000184287293 864323818 /nfs/dbraw/zinc/32/38/18/864323818.db2.gz YQICYVYFLCNVTB-UHFFFAOYSA-N 0 3 378.451 3.768 20 10 GHCDHN Cc1cc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000735210140 864670150 /nfs/dbraw/zinc/67/01/50/864670150.db2.gz LKNOGXMAJJNINZ-HXUWFJFHSA-N 0 3 375.472 3.920 20 10 GHCDHN CN(C)c1ccc(CNCc2ccnc(-n3ccnc3)c2)c(C(F)(F)F)c1 ZINC000793042782 881887861 /nfs/dbraw/zinc/88/78/61/881887861.db2.gz KHGHFDKLQWDHII-UHFFFAOYSA-N 0 3 375.398 3.642 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000174374876 865743664 /nfs/dbraw/zinc/74/36/64/865743664.db2.gz BRMDSFAXYHRARY-KRWDZBQOSA-N 0 3 379.504 3.833 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000174374876 865743670 /nfs/dbraw/zinc/74/36/70/865743670.db2.gz BRMDSFAXYHRARY-KRWDZBQOSA-N 0 3 379.504 3.833 20 10 GHCDHN Cc1nn(C)c(Cl)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622157 866583802 /nfs/dbraw/zinc/58/38/02/866583802.db2.gz LNZPLKNTBXQKRP-ZDUSSCGKSA-N 0 3 384.858 3.742 20 10 GHCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2ccccc2)n1 ZINC000183513702 866809751 /nfs/dbraw/zinc/80/97/51/866809751.db2.gz PJPAJXOEXKKGAH-NRFANRHFSA-N 0 3 377.488 3.974 20 10 GHCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2ccccc2)n1 ZINC000183513702 866809769 /nfs/dbraw/zinc/80/97/69/866809769.db2.gz PJPAJXOEXKKGAH-NRFANRHFSA-N 0 3 377.488 3.974 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)c([O-])c1 ZINC000793388140 882162097 /nfs/dbraw/zinc/16/20/97/882162097.db2.gz MXHQJBQSLWOTJD-LBPRGKRZSA-N 0 3 393.281 3.670 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000743855840 868455339 /nfs/dbraw/zinc/45/53/39/868455339.db2.gz MHPPQDABENGMRG-OAQYLSRUSA-N 0 3 395.522 3.954 20 10 GHCDHN COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1[O-] ZINC000092475215 882363384 /nfs/dbraw/zinc/36/33/84/882363384.db2.gz WIBOEOIRPFMGSZ-SJPCQFCGSA-N 0 3 376.497 3.763 20 10 GHCDHN COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1[O-] ZINC000092475215 882363406 /nfs/dbraw/zinc/36/34/06/882363406.db2.gz WIBOEOIRPFMGSZ-SJPCQFCGSA-N 0 3 376.497 3.763 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Sc3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000793788806 882411736 /nfs/dbraw/zinc/41/17/36/882411736.db2.gz GMBHSBOMGDIMNS-YJBOKZPZSA-N 0 3 377.893 3.838 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Sc3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000793788806 882411747 /nfs/dbraw/zinc/41/17/47/882411747.db2.gz GMBHSBOMGDIMNS-YJBOKZPZSA-N 0 3 377.893 3.838 20 10 GHCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000775565432 870860814 /nfs/dbraw/zinc/86/08/14/870860814.db2.gz KBABKQSIJUVXHP-ZQIUZPCESA-N 0 3 377.481 3.840 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)[C@H](O)CO2 ZINC000767508676 872580921 /nfs/dbraw/zinc/58/09/21/872580921.db2.gz VLAOKGLYBKJDPG-FZKQIMNGSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)[C@H](O)CO2 ZINC000767508676 872580933 /nfs/dbraw/zinc/58/09/33/872580933.db2.gz VLAOKGLYBKJDPG-FZKQIMNGSA-N 0 3 379.378 3.826 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000742391694 872911169 /nfs/dbraw/zinc/91/11/69/872911169.db2.gz LMXYPWOFJLUYDX-QTJGBDASSA-N 0 3 389.543 3.924 20 10 GHCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775723458 873157865 /nfs/dbraw/zinc/15/78/65/873157865.db2.gz GQSBVXDUQWDGCB-CYBMUJFWSA-N 0 3 392.849 3.977 20 10 GHCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775723458 873157869 /nfs/dbraw/zinc/15/78/69/873157869.db2.gz GQSBVXDUQWDGCB-CYBMUJFWSA-N 0 3 392.849 3.977 20 10 GHCDHN COc1ccc(CCC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)cc1 ZINC000768441433 873307577 /nfs/dbraw/zinc/30/75/77/873307577.db2.gz IGQKYIZUPBPPCT-QFIPXVFZSA-N 0 3 383.488 3.671 20 10 GHCDHN COc1cccc(CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1O ZINC000768525568 873359597 /nfs/dbraw/zinc/35/95/97/873359597.db2.gz HAYWZEJFWZSWQW-UHFFFAOYSA-N 0 3 386.492 3.928 20 10 GHCDHN COc1cc(CN(C)Cc2cc(Br)cc(OC)c2O)cc(OC)c1 ZINC000768545084 873405189 /nfs/dbraw/zinc/40/51/89/873405189.db2.gz SAPAGSQJYVTWPE-UHFFFAOYSA-N 0 3 396.281 3.813 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1F ZINC000768781523 873574915 /nfs/dbraw/zinc/57/49/15/873574915.db2.gz SLFXGTCMJVOKSG-UHFFFAOYSA-N 0 3 389.437 3.562 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000768928634 873697302 /nfs/dbraw/zinc/69/73/02/873697302.db2.gz CNFOCSLUCXIQCK-INIZCTEOSA-N 0 3 399.409 3.681 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000768928634 873697310 /nfs/dbraw/zinc/69/73/10/873697310.db2.gz CNFOCSLUCXIQCK-INIZCTEOSA-N 0 3 399.409 3.681 20 10 GHCDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769415436 874032791 /nfs/dbraw/zinc/03/27/91/874032791.db2.gz OECHIHFUNBSCDC-HUUCEWRRSA-N 0 3 397.947 3.740 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422918 874041531 /nfs/dbraw/zinc/04/15/31/874041531.db2.gz MWQSQWRGSUTRHM-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422918 874041546 /nfs/dbraw/zinc/04/15/46/874041546.db2.gz MWQSQWRGSUTRHM-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(C(N)=O)(c3ccccc3)CC2)cc1F ZINC000769445466 874075131 /nfs/dbraw/zinc/07/51/31/874075131.db2.gz JHMICGFBHRXNGM-UHFFFAOYSA-N 0 3 383.511 3.691 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000769466520 874090367 /nfs/dbraw/zinc/09/03/67/874090367.db2.gz LDPJRLYZDMMURX-UHFFFAOYSA-N 0 3 394.515 3.804 20 10 GHCDHN CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC000769514402 874122247 /nfs/dbraw/zinc/12/22/47/874122247.db2.gz LWNXUANOZWBOIQ-SJORKVTESA-N 0 3 376.497 3.765 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1 ZINC000770145903 874496796 /nfs/dbraw/zinc/49/67/96/874496796.db2.gz BQQLEXZTGQMEDJ-UHFFFAOYSA-N 0 3 388.309 3.843 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)c2)CC1 ZINC000770146976 874499220 /nfs/dbraw/zinc/49/92/20/874499220.db2.gz JXMZYJNHJITKIW-UHFFFAOYSA-N 0 3 389.503 3.641 20 10 GHCDHN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000770327262 874602056 /nfs/dbraw/zinc/60/20/56/874602056.db2.gz RSBNATKDEKYRSM-LAUBAEHRSA-N 0 3 383.496 3.865 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cnc(C4CCCC4)s3)cc2)C1 ZINC001199608804 875075788 /nfs/dbraw/zinc/07/57/88/875075788.db2.gz MCSNWWRAYUNQLA-GOSISDBHSA-N 0 3 398.576 3.792 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@H]1Oc1ccccc1 ZINC000776009897 875124984 /nfs/dbraw/zinc/12/49/84/875124984.db2.gz YXIODDJZIDSSTA-ILZDJORESA-N 0 3 377.868 3.769 20 10 GHCDHN COC[C@H](NCc1cc(Br)cc(OC)c1O)c1cccc(OC)c1 ZINC000850362378 876849954 /nfs/dbraw/zinc/84/99/54/876849954.db2.gz MKGBMCYQRZSEBG-INIZCTEOSA-N 0 3 396.281 3.649 20 10 GHCDHN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000850402876 876882984 /nfs/dbraw/zinc/88/29/84/876882984.db2.gz ZQACKILYTJCKSB-LJQANCHMSA-N 0 3 381.476 3.692 20 10 GHCDHN CCN(CC)c1ccc(CNCc2ccc(N3CCCNC3=O)cc2)cc1F ZINC000850413180 876892467 /nfs/dbraw/zinc/89/24/67/876892467.db2.gz HVUDSYBUBMRTFX-UHFFFAOYSA-N 0 3 384.499 3.881 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1[O-] ZINC000787438248 877403161 /nfs/dbraw/zinc/40/31/61/877403161.db2.gz KZDGANHWGXQJEP-SFHVURJKSA-N 0 3 394.849 3.913 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1[O-] ZINC000789866183 879324417 /nfs/dbraw/zinc/32/44/17/879324417.db2.gz NAOJAGDSSFULED-WAYWQWQTSA-N 0 3 385.302 3.634 20 10 GHCDHN CC(=O)c1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1C ZINC000790007032 879389913 /nfs/dbraw/zinc/38/99/13/879389913.db2.gz BTQCVTZUHLVDOM-UHFFFAOYSA-N 0 3 379.504 3.980 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000746978165 880232040 /nfs/dbraw/zinc/23/20/40/880232040.db2.gz LMJAPFNXCLBRNX-HXUWFJFHSA-N 0 3 384.499 3.528 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000792186773 880974586 /nfs/dbraw/zinc/97/45/86/880974586.db2.gz QMEKPDCZMLTTNQ-HSZRJFAPSA-N 0 3 377.532 3.910 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c1[O-] ZINC000858480126 883132340 /nfs/dbraw/zinc/13/23/40/883132340.db2.gz LPAXEUJOMSGNCN-CMPLNLGQSA-N 0 3 393.272 3.543 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000858531964 883178572 /nfs/dbraw/zinc/17/85/72/883178572.db2.gz GAJCZSGYHJMRJK-DZGCQCFKSA-N 0 3 382.476 3.601 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000858564526 883200539 /nfs/dbraw/zinc/20/05/39/883200539.db2.gz ORRVKNDAWYHNFW-KRWDZBQOSA-N 0 3 395.503 3.737 20 10 GHCDHN C[C@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806172708 884395033 /nfs/dbraw/zinc/39/50/33/884395033.db2.gz RKXCWVNUBWBNGB-KKSFZXQISA-N 0 3 389.490 3.755 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142520283 884475800 /nfs/dbraw/zinc/47/58/00/884475800.db2.gz FHFNMNULRZBDAX-UQASEVPWSA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142520283 884475811 /nfs/dbraw/zinc/47/58/11/884475811.db2.gz FHFNMNULRZBDAX-UQASEVPWSA-N 0 3 387.474 3.798 20 10 GHCDHN O=S(=O)(Nc1cccc(CNCc2ccc(N3CCCCC3)cc2)c1)C1CC1 ZINC000898294945 884713192 /nfs/dbraw/zinc/71/31/92/884713192.db2.gz RZNKTIPUVGJAKL-UHFFFAOYSA-N 0 3 399.560 3.871 20 10 GHCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000914878769 885099987 /nfs/dbraw/zinc/09/99/87/885099987.db2.gz VVDNEICNYGYAHD-UHFFFAOYSA-N 0 3 390.325 3.682 20 10 GHCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1)c1ccc(Cl)cc1 ZINC001184047040 912984728 /nfs/dbraw/zinc/98/47/28/912984728.db2.gz ZMJOIQDXUBWUHW-OAHLLOKOSA-N 0 3 380.822 3.718 20 10 GHCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1)c1ccc(Cl)cc1 ZINC001184047040 912984733 /nfs/dbraw/zinc/98/47/33/912984733.db2.gz ZMJOIQDXUBWUHW-OAHLLOKOSA-N 0 3 380.822 3.718 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001184087403 912991683 /nfs/dbraw/zinc/99/16/83/912991683.db2.gz CLFBQXXICQKSNW-GOSISDBHSA-N 0 3 390.524 3.596 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808680588 886636667 /nfs/dbraw/zinc/63/66/67/886636667.db2.gz MQPDLTAFPPHEGW-OLZOCXBDSA-N 0 3 382.913 3.674 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1[O-] ZINC000808714683 886696805 /nfs/dbraw/zinc/69/68/05/886696805.db2.gz OOCGDMIDAWNZKJ-AWEZNQCLSA-N 0 3 394.924 3.745 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1[O-] ZINC000808713047 886696827 /nfs/dbraw/zinc/69/68/27/886696827.db2.gz DXXIAYHIUHUMAC-AWEZNQCLSA-N 0 3 394.924 3.745 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000808718873 886702441 /nfs/dbraw/zinc/70/24/41/886702441.db2.gz XOHSLQGYMREZGJ-RDJZCZTQSA-N 0 3 388.895 3.685 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1[O-] ZINC000809718037 887740112 /nfs/dbraw/zinc/74/01/12/887740112.db2.gz FAOWFOYTFHNOMR-JOCHJYFZSA-N 0 3 382.323 3.631 20 10 GHCDHN CN(C)c1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000794809085 888178347 /nfs/dbraw/zinc/17/83/47/888178347.db2.gz NQVPTOAZEKMKFT-HXUWFJFHSA-N 0 3 387.474 3.526 20 10 GHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794813052 888182259 /nfs/dbraw/zinc/18/22/59/888182259.db2.gz BCVOOCDFBYSTPM-UXHICEINSA-N 0 3 384.476 3.564 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-c4ncon4)cc3)c2)CC1 ZINC000122593598 889937047 /nfs/dbraw/zinc/93/70/47/889937047.db2.gz STZJWNKFRGNTFW-UHFFFAOYSA-N 0 3 391.475 3.519 20 10 GHCDHN Cc1nc(NCc2cc(Cl)c3cccnc3c2[O-])cc([C@@H]2CCC[NH2+]C2)n1 ZINC001168521428 890231970 /nfs/dbraw/zinc/23/19/70/890231970.db2.gz BTIUYRSFNGFVCM-CYBMUJFWSA-N 0 3 383.883 3.771 20 10 GHCDHN CC[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154235127 890685282 /nfs/dbraw/zinc/68/52/82/890685282.db2.gz PXXYLEBAQBRYEE-GOTSBHOMSA-N 0 3 395.547 3.902 20 10 GHCDHN Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)c(C)n1-c1ccccn1 ZINC000127756195 891729940 /nfs/dbraw/zinc/72/99/40/891729940.db2.gz SAKLMEPSFQDDTG-UHFFFAOYSA-N 0 3 388.515 3.667 20 10 GHCDHN C[C@H]1CN(c2ccccc2CNCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000917431387 891993106 /nfs/dbraw/zinc/99/31/06/891993106.db2.gz JGEOULMEVJOVQU-IBGZPJMESA-N 0 3 397.588 3.755 20 10 GHCDHN COc1cc(O)c(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1OC ZINC000814169404 892366487 /nfs/dbraw/zinc/36/64/87/892366487.db2.gz HDSFRPUVZMQDQE-PKTZIBPZSA-N 0 3 379.456 3.974 20 10 GHCDHN COc1cccc([C@@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001134686433 893201001 /nfs/dbraw/zinc/20/10/01/893201001.db2.gz KDWWNSLDNQKNAI-JTSKRJEESA-N 0 3 383.536 3.674 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C3CCOCC3)cc2)N(C)C)cc1 ZINC001134686687 893202147 /nfs/dbraw/zinc/20/21/47/893202147.db2.gz SANUZOGROJISIR-QHCPKHFHSA-N 0 3 395.547 3.679 20 10 GHCDHN CSc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1F ZINC001134681983 893218309 /nfs/dbraw/zinc/21/83/09/893218309.db2.gz PKHLGQIIKFPDIT-GOSISDBHSA-N 0 3 375.513 3.646 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccnc(N4CCCCCC4)c3)cc2)CC1 ZINC000877025819 893444344 /nfs/dbraw/zinc/44/43/44/893444344.db2.gz WYBDDUXDOVKMSF-UHFFFAOYSA-N 0 3 394.563 3.713 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000815156221 893494841 /nfs/dbraw/zinc/49/48/41/893494841.db2.gz XTKGAVQZYZHCFN-YWZLYKJASA-N 0 3 386.467 3.772 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCc2ccc(F)c(F)c2)N(C)C)cc1 ZINC001134881794 893503741 /nfs/dbraw/zinc/50/37/41/893503741.db2.gz HNSRPRMUIXHKCS-OAQYLSRUSA-N 0 3 389.490 3.773 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C2(Cc3ccccc3)CCC2)N(C)C)cc1 ZINC001134882256 893504871 /nfs/dbraw/zinc/50/48/71/893504871.db2.gz NPMIRFSRONLOBP-QFIPXVFZSA-N 0 3 379.548 3.885 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000815150021 893521706 /nfs/dbraw/zinc/52/17/06/893521706.db2.gz KKRQUHOTDAEVSY-KRWDZBQOSA-N 0 3 380.467 3.699 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C(C)C)[C@H](C)c1ccsc1)cc2=O ZINC000817287444 895442731 /nfs/dbraw/zinc/44/27/31/895442731.db2.gz NZQVMJKWRJZMQF-CYBMUJFWSA-N 0 3 388.493 3.645 20 10 GHCDHN CCN1CCC([N@@H+]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000817414135 895590904 /nfs/dbraw/zinc/59/09/04/895590904.db2.gz SWUIOFBBSJIMNV-UHFFFAOYSA-N 0 3 386.367 3.691 20 10 GHCDHN CCN1CCC([N@H+]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000817414135 895590911 /nfs/dbraw/zinc/59/09/11/895590911.db2.gz SWUIOFBBSJIMNV-UHFFFAOYSA-N 0 3 386.367 3.691 20 10 GHCDHN CCn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(-c2ccccc2)n1 ZINC000883180796 897345712 /nfs/dbraw/zinc/34/57/12/897345712.db2.gz LELNKTYOAKQPIA-UHFFFAOYSA-N 0 3 390.531 3.821 20 10 GHCDHN C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131399549 897434725 /nfs/dbraw/zinc/43/47/25/897434725.db2.gz HHBFLMUDYLWTKI-KRWDZBQOSA-N 0 3 384.499 3.508 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821391173 897858314 /nfs/dbraw/zinc/85/83/14/897858314.db2.gz IOJNIEDFHFMYFJ-AZUAARDMSA-N 0 3 384.476 3.681 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821391173 897858320 /nfs/dbraw/zinc/85/83/20/897858320.db2.gz IOJNIEDFHFMYFJ-AZUAARDMSA-N 0 3 384.476 3.681 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000822654871 898534896 /nfs/dbraw/zinc/53/48/96/898534896.db2.gz SMGMOXVDORECDK-JOCHJYFZSA-N 0 3 392.540 3.756 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000822654871 898534899 /nfs/dbraw/zinc/53/48/99/898534899.db2.gz SMGMOXVDORECDK-JOCHJYFZSA-N 0 3 392.540 3.756 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1 ZINC000823701975 899196075 /nfs/dbraw/zinc/19/60/75/899196075.db2.gz JWROIYHMAYFFMP-NRFANRHFSA-N 0 3 396.560 3.741 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824961604 899908620 /nfs/dbraw/zinc/90/86/20/899908620.db2.gz DRHORIRJWVEECC-QGZVFWFLSA-N 0 3 376.508 3.954 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824961604 899908631 /nfs/dbraw/zinc/90/86/31/899908631.db2.gz DRHORIRJWVEECC-QGZVFWFLSA-N 0 3 376.508 3.954 20 10 GHCDHN COc1ccc([C@H](NCc2ccc(N3CCN(C)CC3)cc2)c2ccco2)cc1 ZINC000825316395 900088709 /nfs/dbraw/zinc/08/87/09/900088709.db2.gz NFTVTSLEUYMSNK-DEOSSOPVSA-N 0 3 391.515 3.919 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@@H]3CSCCc4ccccc43)cc2)CC1 ZINC000886747524 901252805 /nfs/dbraw/zinc/25/28/05/901252805.db2.gz WYZUFRQATLLKKG-JOCHJYFZSA-N 0 3 395.572 3.509 20 10 GHCDHN C[C@H](NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000886764176 901259794 /nfs/dbraw/zinc/25/97/94/901259794.db2.gz MZVFEVNMVOAMLM-JIYIMXKPSA-N 0 3 394.943 3.554 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3OCCCO4)c2)CC1 ZINC000845906546 902517823 /nfs/dbraw/zinc/51/78/23/902517823.db2.gz MMMGGGZUZUPMPF-UHFFFAOYSA-N 0 3 395.503 3.631 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999386 902581697 /nfs/dbraw/zinc/58/16/97/902581697.db2.gz IMSJHONCDXKBKQ-GGPKGHCWSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999386 902581702 /nfs/dbraw/zinc/58/17/02/902581702.db2.gz IMSJHONCDXKBKQ-GGPKGHCWSA-N 0 3 390.524 3.677 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1[O-] ZINC000779002512 902695195 /nfs/dbraw/zinc/69/51/95/902695195.db2.gz INRHRJPNXUAWSJ-ZFWWWQNUSA-N 0 3 380.282 3.554 20 10 GHCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000846152448 902722346 /nfs/dbraw/zinc/72/23/46/902722346.db2.gz UBOYEEDLOFRYSN-MLGOLLRUSA-N 0 3 394.393 3.876 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1[O-] ZINC000779024678 903076689 /nfs/dbraw/zinc/07/66/89/903076689.db2.gz OEXVMXMSDBKVFA-YOEHRIQHSA-N 0 3 397.357 3.757 20 10 GHCDHN COc1c([O-])c(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775034960 914686277 /nfs/dbraw/zinc/68/62/77/914686277.db2.gz VLOHPJVICFSUIX-HOTGVXAUSA-N 0 3 399.491 3.555 20 10 GHCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779052091 903597812 /nfs/dbraw/zinc/59/78/12/903597812.db2.gz MMTNUXYTYWFLOJ-MJBXVCDLSA-N 0 3 399.329 3.981 20 10 GHCDHN OC1CCN(c2ccc(CN[C@H]3CSCCc4ccccc43)cc2F)CC1 ZINC000151543761 904152960 /nfs/dbraw/zinc/15/29/60/904152960.db2.gz QVCJRMVHVCMEOE-NRFANRHFSA-N 0 3 386.536 3.907 20 10 GHCDHN CCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000153142506 904336196 /nfs/dbraw/zinc/33/61/96/904336196.db2.gz DPJBNEUMLHZUHP-MRXNPFEDSA-N 0 3 385.464 3.681 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773231524 904596339 /nfs/dbraw/zinc/59/63/39/904596339.db2.gz WLOALPSETBHMGJ-WFXMLNOXSA-N 0 3 380.536 3.948 20 10 GHCDHN CCCCN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000801599407 921177278 /nfs/dbraw/zinc/17/72/78/921177278.db2.gz MVSQUXZBHRDNLS-FQEVSTJZSA-N 0 3 395.547 3.637 20 10 GHCDHN COc1cc(O)c(CNC2(c3ccc(Br)cc3)CC2)cc1OC ZINC000181969424 907107172 /nfs/dbraw/zinc/10/71/72/907107172.db2.gz OYBIQXPVSCPIMD-UHFFFAOYSA-N 0 3 378.266 3.951 20 10 GHCDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc2ccccc2c1[O-] ZINC000185042231 907702338 /nfs/dbraw/zinc/70/23/38/907702338.db2.gz HFLFKCJCTBSEJF-KRWDZBQOSA-N 0 3 376.504 3.543 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c([O-])c1 ZINC000185133577 907718726 /nfs/dbraw/zinc/71/87/26/907718726.db2.gz ZWGOWBKTWITIOI-MRXNPFEDSA-N 0 3 376.522 3.580 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3ccccc3)[C@H]3CCCO3)cc2F)CC1 ZINC001177506964 908606704 /nfs/dbraw/zinc/60/67/04/908606704.db2.gz XFVARWZEUPNCKB-PKTZIBPZSA-N 0 3 383.511 3.587 20 10 GHCDHN CN(C)c1ccc([C@@H](CNCc2cccc(O)c2)NC(=O)OC(C)(C)C)cc1 ZINC001178356748 909029462 /nfs/dbraw/zinc/02/94/62/909029462.db2.gz UVYYOIKVJJJEJS-HXUWFJFHSA-N 0 3 385.508 3.814 20 10 GHCDHN CN(C)c1ccc(/C=C/CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC001178917069 909314419 /nfs/dbraw/zinc/31/44/19/909314419.db2.gz SRAJUUCDPKTZOA-ONEGZZNKSA-N 0 3 387.474 3.670 20 10 GHCDHN COCCN(CCOc1ccc(F)cc1)Cc1cc(Cl)cc(OC)c1O ZINC001179863527 909789569 /nfs/dbraw/zinc/78/95/69/909789569.db2.gz OBYOSISSETZYFX-UHFFFAOYSA-N 0 3 383.847 3.721 20 10 GHCDHN COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC001179863527 909789574 /nfs/dbraw/zinc/78/95/74/909789574.db2.gz OBYOSISSETZYFX-UHFFFAOYSA-N 0 3 383.847 3.721 20 10 GHCDHN COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC001179863527 909789583 /nfs/dbraw/zinc/78/95/83/909789583.db2.gz OBYOSISSETZYFX-UHFFFAOYSA-N 0 3 383.847 3.721 20 10 GHCDHN CCN(C)c1ccc([C@H](C)NCc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000268890936 910059433 /nfs/dbraw/zinc/05/94/33/910059433.db2.gz XYVKCLITHKWRHX-IBGZPJMESA-N 0 3 394.563 3.662 20 10 GHCDHN C[C@H](NC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000774253932 911565264 /nfs/dbraw/zinc/56/52/64/911565264.db2.gz GSFXXDKFUUUZBK-SFHVURJKSA-N 0 3 396.604 3.942 20 10 GHCDHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000774472149 911778646 /nfs/dbraw/zinc/77/86/46/911778646.db2.gz LZXSNRHWDDIEJK-DOTOQJQBSA-N 0 3 380.916 3.513 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000774480460 911785323 /nfs/dbraw/zinc/78/53/23/911785323.db2.gz CCUICWAASRQUBP-STQMWFEESA-N 0 3 390.871 3.992 20 10 GHCDHN C[C@H](N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483991 911790327 /nfs/dbraw/zinc/79/03/27/911790327.db2.gz QYTHVIYXAGVJJR-SCLBCKFNSA-N 0 3 379.426 3.519 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1[O-] ZINC001182998706 912185501 /nfs/dbraw/zinc/18/55/01/912185501.db2.gz ANWHPMYSLULZNQ-SFHVURJKSA-N 0 3 375.310 3.827 20 10 GHCDHN Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000303816212 915169216 /nfs/dbraw/zinc/16/92/16/915169216.db2.gz ZZIZWTGATSIHNL-FPOVZHCZSA-N 0 3 379.548 3.897 20 10 GHCDHN Cn1cc([C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC23CCOCC3)cn1 ZINC000295138529 917163263 /nfs/dbraw/zinc/16/32/63/917163263.db2.gz ZMDJEXYQQWMGTI-OAQYLSRUSA-N 0 3 377.488 3.675 20 10 GHCDHN Cn1cc([C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC23CCOCC3)cn1 ZINC000295138529 917163272 /nfs/dbraw/zinc/16/32/72/917163272.db2.gz ZMDJEXYQQWMGTI-OAQYLSRUSA-N 0 3 377.488 3.675 20 10 GHCDHN CN(c1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1)C1CCCCC1 ZINC000775382435 917316195 /nfs/dbraw/zinc/31/61/95/917316195.db2.gz OAUXUJZUMIZZLK-SFTDATJTSA-N 0 3 378.582 3.901 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000113359294 919369537 /nfs/dbraw/zinc/36/95/37/919369537.db2.gz YHNMVHBKPHWPQU-LJQANCHMSA-N 0 3 397.910 3.585 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1[O-] ZINC000903423940 923013736 /nfs/dbraw/zinc/01/37/36/923013736.db2.gz IXCPFSKJWXXDKN-CYBMUJFWSA-N 0 3 382.913 3.601 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c2c1c(F)ccc2[O-] ZINC000903425372 923016604 /nfs/dbraw/zinc/01/66/04/923016604.db2.gz BWEQHXNGOFXXOP-PXAZEXFGSA-N 0 3 390.480 3.774 20 10 GHCDHN CC(C)(C)OC(=O)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000827662414 925915106 /nfs/dbraw/zinc/91/51/06/925915106.db2.gz QZCAIGVYRGHFPK-UHFFFAOYSA-N 0 3 396.531 3.893 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000751384583 928165988 /nfs/dbraw/zinc/16/59/88/928165988.db2.gz SMDARSGGPAUCGU-NRFANRHFSA-N 0 3 395.547 3.729 20 10 GHCDHN COc1cccc(O)c1CNC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751507043 928228020 /nfs/dbraw/zinc/22/80/20/928228020.db2.gz QYNOQILNTALQAM-INIZCTEOSA-N 0 3 375.774 3.594 20 10 GHCDHN COC1CCN(C(C)(C)C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753566880 929422777 /nfs/dbraw/zinc/42/27/77/929422777.db2.gz WGFCKCQFBIEKOS-UHFFFAOYSA-N 0 3 398.547 3.950 20 10 GHCDHN CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000753643108 929458168 /nfs/dbraw/zinc/45/81/68/929458168.db2.gz IZWLUFVBZDYNSO-QFIPXVFZSA-N 0 3 385.527 3.617 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000757634147 929751694 /nfs/dbraw/zinc/75/16/94/929751694.db2.gz ZAVRSAXRHLWMOI-ZWOKBUDYSA-N 0 3 382.504 3.740 20 10 GHCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000758487228 930059418 /nfs/dbraw/zinc/05/94/18/930059418.db2.gz XZTHPRXYWACLFR-INIZCTEOSA-N 0 3 378.875 3.565 20 10 GHCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000758487228 930059425 /nfs/dbraw/zinc/05/94/25/930059425.db2.gz XZTHPRXYWACLFR-INIZCTEOSA-N 0 3 378.875 3.565 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCCCN3C3CC3)ccc21 ZINC000470178039 930435810 /nfs/dbraw/zinc/43/58/10/930435810.db2.gz WIYFSMWKTVDRAH-FQEVSTJZSA-N 0 3 383.536 3.651 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000783505005 931566155 /nfs/dbraw/zinc/56/61/55/931566155.db2.gz PTVKEHYHNHECHL-SJORKVTESA-N 0 3 388.533 3.664 20 10 GHCDHN CN(C)Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1 ZINC000784058440 931769815 /nfs/dbraw/zinc/76/98/15/931769815.db2.gz UYELRKAOXTXUMX-UHFFFAOYSA-N 0 3 394.519 3.635 20 10 GHCDHN COC(=O)c1cc2ccccc2c(CN2CCCC[C@@H]2c2ccnn2C)c1O ZINC000799148207 932889573 /nfs/dbraw/zinc/88/95/73/932889573.db2.gz AWYQIHGCEAQIFR-HXUWFJFHSA-N 0 3 379.460 3.793 20 10 GHCDHN C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)N(C)Cc1ccccc1 ZINC000829211843 935780236 /nfs/dbraw/zinc/78/02/36/935780236.db2.gz HHLPRXRRPPXLSA-INIZCTEOSA-N 0 3 394.544 3.566 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001221893394 1032565847 /nfs/dbraw/zinc/56/58/47/1032565847.db2.gz AQFCAGSXJXRLDX-GHTZIAJQSA-N 0 3 380.536 3.523 20 10 GHCDHN CCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000777678017 1017501121 /nfs/dbraw/zinc/50/11/21/1017501121.db2.gz HJGYSLBZSLSGDL-UHFFFAOYSA-N 0 3 387.549 3.580 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)[C@@H]2CCCO[C@H]12 ZINC001204321330 1032764936 /nfs/dbraw/zinc/76/49/36/1032764936.db2.gz CUQTZOITMGLXRQ-SMIHKQSGSA-N 0 3 395.547 3.744 20 10 GHCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Br)cc(OC)c1[O-])C2 ZINC001204337058 1032779818 /nfs/dbraw/zinc/77/98/18/1032779818.db2.gz AOWVGMXBKODXFN-KDOFPFPSSA-N 0 3 384.314 3.802 20 10 GHCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C2 ZINC001204337058 1032779829 /nfs/dbraw/zinc/77/98/29/1032779829.db2.gz AOWVGMXBKODXFN-KDOFPFPSSA-N 0 3 384.314 3.802 20 10 GHCDHN COc1ccc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c(O)c1OC ZINC001204410835 1032836242 /nfs/dbraw/zinc/83/62/42/1032836242.db2.gz INVXZYFHCTXTGY-SFHVURJKSA-N 0 3 399.491 3.586 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCO[C@@](C)(c4ccc(F)cc4)C3)cc2)CC1 ZINC001140306751 1021363949 /nfs/dbraw/zinc/36/39/49/1021363949.db2.gz WMEDNSOBZRBKKY-XMMPIXPASA-N 0 3 397.538 3.715 20 10 GHCDHN COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2ccccc2[O-])cc1Br ZINC000834898426 1021643294 /nfs/dbraw/zinc/64/32/94/1021643294.db2.gz CVODTAMVIBCUDO-UKRRQHHQSA-N 0 3 394.309 3.665 20 10 GHCDHN CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(C)cc1[O-] ZINC000834904165 1021656792 /nfs/dbraw/zinc/65/67/92/1021656792.db2.gz NLMJPLVABRGAPU-WMZOPIPTSA-N 0 3 378.513 3.767 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000835027201 1021785368 /nfs/dbraw/zinc/78/53/68/1021785368.db2.gz ILYWHFDFPDSXHM-HWKANZROSA-N 0 3 397.588 3.898 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC1CC1 ZINC001140489858 1021814766 /nfs/dbraw/zinc/81/47/66/1021814766.db2.gz AELJJEYGLGTCQW-UHFFFAOYSA-N 0 3 396.531 3.953 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1csc3ccccc31)cc2=O ZINC000754738020 1022870424 /nfs/dbraw/zinc/87/04/24/1022870424.db2.gz ZANHNAKXMZTMIY-LBPRGKRZSA-N 0 3 396.472 3.677 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001140952059 1022979934 /nfs/dbraw/zinc/97/99/34/1022979934.db2.gz CSKCOKAMQMBUKY-RXVVDRJESA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001140952059 1022979938 /nfs/dbraw/zinc/97/99/38/1022979938.db2.gz CSKCOKAMQMBUKY-RXVVDRJESA-N 0 3 378.488 3.872 20 10 GHCDHN COC(=O)c1ccc(C2CC[NH+](Cc3c([O-])cc(OC)cc3OC)CC2)cc1 ZINC001141028118 1023274445 /nfs/dbraw/zinc/27/44/45/1023274445.db2.gz BWFDJRRZQBVKIH-UHFFFAOYSA-N 0 3 385.460 3.576 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032693 1023300607 /nfs/dbraw/zinc/30/06/07/1023300607.db2.gz MWRYNRLUYPFSDN-NRFANRHFSA-N 0 3 394.512 3.536 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032693 1023300616 /nfs/dbraw/zinc/30/06/16/1023300616.db2.gz MWRYNRLUYPFSDN-NRFANRHFSA-N 0 3 394.512 3.536 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032693 1023300629 /nfs/dbraw/zinc/30/06/29/1023300629.db2.gz MWRYNRLUYPFSDN-NRFANRHFSA-N 0 3 394.512 3.536 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032714 1023300695 /nfs/dbraw/zinc/30/06/95/1023300695.db2.gz NGTFWXWDNQUGQP-HNNXBMFYSA-N 0 3 394.512 3.629 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032714 1023300708 /nfs/dbraw/zinc/30/07/08/1023300708.db2.gz NGTFWXWDNQUGQP-HNNXBMFYSA-N 0 3 394.512 3.629 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000756389340 1023624826 /nfs/dbraw/zinc/62/48/26/1023624826.db2.gz CBSJIBLQYPRTRM-BEFAXECRSA-N 0 3 397.494 3.772 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)c([O-])c1 ZINC000756523183 1023696074 /nfs/dbraw/zinc/69/60/74/1023696074.db2.gz BOFRIDLNWZPNOB-CQSZACIVSA-N 0 3 391.309 3.934 20 10 GHCDHN COC1CCN(c2ccc(CN3C[C@H](c4ccccc4)[C@](F)(CO)C3)cc2)CC1 ZINC000830738447 1024119850 /nfs/dbraw/zinc/11/98/50/1024119850.db2.gz FRWBAIGXYVGZMS-DNQXCXABSA-N 0 3 398.522 3.602 20 10 GHCDHN Cc1c(CN2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c2ccccc2n1C ZINC001138259719 1024489964 /nfs/dbraw/zinc/48/99/64/1024489964.db2.gz MOGFFDSCKHEOFX-MRXNPFEDSA-N 0 3 377.463 3.856 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3ccc4cc(O)ccc4c3)CC2)cc1 ZINC001139342625 1026205729 /nfs/dbraw/zinc/20/57/29/1026205729.db2.gz SLZYLUNRKFYYKC-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN CCC(C)(C)N1CCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)CC1 ZINC001164085187 1026406805 /nfs/dbraw/zinc/40/68/05/1026406805.db2.gz YSIBKWFZULTVFH-UHFFFAOYSA-N 0 3 397.563 3.862 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3nccc4cc(C)[nH]c43)CC2)cc1 ZINC001164327029 1026485713 /nfs/dbraw/zinc/48/57/13/1026485713.db2.gz AXBIOGLPYFITPW-UHFFFAOYSA-N 0 3 379.508 3.504 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(Br)cc3)cc2F)CC1 ZINC000098173845 1026745168 /nfs/dbraw/zinc/74/51/68/1026745168.db2.gz SQDZUBQXBYLUQU-UHFFFAOYSA-N 0 3 393.300 3.839 20 10 GHCDHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203614298 1027478579 /nfs/dbraw/zinc/47/85/79/1027478579.db2.gz VFLSAENQKAKBLM-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203614298 1027478588 /nfs/dbraw/zinc/47/85/88/1027478588.db2.gz VFLSAENQKAKBLM-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)c([O-])c1 ZINC001203621418 1027483749 /nfs/dbraw/zinc/48/37/49/1027483749.db2.gz DVROPGJIILPLEU-APWZRJJASA-N 0 3 393.462 3.712 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)c([O-])c1 ZINC001203621418 1027483764 /nfs/dbraw/zinc/48/37/64/1027483764.db2.gz DVROPGJIILPLEU-APWZRJJASA-N 0 3 393.462 3.712 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c([O-])c1 ZINC001203628741 1027488394 /nfs/dbraw/zinc/48/83/94/1027488394.db2.gz DMVZMHDKEOUKBM-UHFFFAOYSA-N 0 3 380.488 3.558 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001203629921 1027490172 /nfs/dbraw/zinc/49/01/72/1027490172.db2.gz NOQARCGSKLWNRI-HSZRJFAPSA-N 0 3 380.488 3.547 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001203629921 1027490181 /nfs/dbraw/zinc/49/01/81/1027490181.db2.gz NOQARCGSKLWNRI-HSZRJFAPSA-N 0 3 380.488 3.547 20 10 GHCDHN COc1ccc(O)c(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c1 ZINC001203675155 1027525234 /nfs/dbraw/zinc/52/52/34/1027525234.db2.gz OZRFWTPRMFPLEO-UHFFFAOYSA-N 0 3 383.879 3.925 20 10 GHCDHN CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc2c(c1)CCO2 ZINC000840761492 1027800552 /nfs/dbraw/zinc/80/05/52/1027800552.db2.gz YHPQAIYPKDLLAN-HXUWFJFHSA-N 0 3 388.458 3.977 20 10 GHCDHN C[C@](O)(CNCc1ccc(N2CCCCC2)c(Br)c1)C(F)(F)F ZINC001461364140 1069520426 /nfs/dbraw/zinc/52/04/26/1069520426.db2.gz OLJWBATWONQSIY-HNNXBMFYSA-N 0 3 395.263 3.842 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2F)N(C)C)cc1 ZINC001214446107 1028739279 /nfs/dbraw/zinc/73/92/79/1028739279.db2.gz KCLRENAKYDVCQJ-GOSISDBHSA-N 0 3 378.879 3.970 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1csc([C@@H]2CCCN2)n1 ZINC001157434258 1033585765 /nfs/dbraw/zinc/58/57/65/1033585765.db2.gz OCZLVRRSQRRMSH-KSSFIOAISA-N 0 3 385.533 3.943 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001157436134 1033589062 /nfs/dbraw/zinc/58/90/62/1033589062.db2.gz ZMWNDRKAJGFNBJ-URXFXBBRSA-N 0 3 396.506 3.774 20 10 GHCDHN O=C1CCCC2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)N1 ZINC001231467682 1034612313 /nfs/dbraw/zinc/61/23/13/1034612313.db2.gz NYULTZIEPCLMOA-UHFFFAOYSA-N 0 3 380.488 3.606 20 10 GHCDHN O=C(N1CCCC1)C12CC(C1)CN2Cc1ccc(OCc2ccccc2)cc1O ZINC001231467566 1034612546 /nfs/dbraw/zinc/61/25/46/1034612546.db2.gz MEIQOEFJRAPNER-UHFFFAOYSA-N 0 3 392.499 3.558 20 10 GHCDHN CCOC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231468547 1034614203 /nfs/dbraw/zinc/61/42/03/1034614203.db2.gz BZEDIGBQUYYVMT-UHFFFAOYSA-N 0 3 384.476 3.682 20 10 GHCDHN CCC(=O)N(C)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231468562 1034614341 /nfs/dbraw/zinc/61/43/41/1034614341.db2.gz CIDGGCPNZVMQHR-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231561823 1034712139 /nfs/dbraw/zinc/71/21/39/1034712139.db2.gz AIRUCISXOMHOIB-HXUWFJFHSA-N 0 3 384.476 3.560 20 10 GHCDHN O=C1[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001231586446 1034738201 /nfs/dbraw/zinc/73/82/01/1034738201.db2.gz HUYBSOLTPNKBTI-NQIIRXRSSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001231586446 1034738213 /nfs/dbraw/zinc/73/82/13/1034738213.db2.gz HUYBSOLTPNKBTI-NQIIRXRSSA-N 0 3 390.458 3.775 20 10 GHCDHN Cc1cccc(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1O ZINC001231593730 1034748909 /nfs/dbraw/zinc/74/89/09/1034748909.db2.gz ZYFCVZHBWNBDLI-NFBKMPQASA-N 0 3 382.504 3.684 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001231851987 1034942377 /nfs/dbraw/zinc/94/23/77/1034942377.db2.gz PPPFTQBTSRWJMN-QFIPXVFZSA-N 0 3 389.540 3.737 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1c(F)nc(F)nc1Cl)c1ccccc1O ZINC001160624943 1035019971 /nfs/dbraw/zinc/01/99/71/1035019971.db2.gz XZVUCKLOZQCAQS-ZIAGYGMSSA-N 0 3 392.793 3.673 20 10 GHCDHN COc1ccc(CN2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)c(O)c1OC ZINC001461959895 1069915701 /nfs/dbraw/zinc/91/57/01/1069915701.db2.gz LFUNSQXOOWVICT-GDBMZVCRSA-N 0 3 394.512 3.535 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(O)cc(Br)c1 ZINC001232998010 1038758211 /nfs/dbraw/zinc/75/82/11/1038758211.db2.gz CRFCWFZWLVVMSS-UHFFFAOYSA-N 0 3 391.309 3.623 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001251981064 1038791706 /nfs/dbraw/zinc/79/17/06/1038791706.db2.gz FZNRWILPUJXAJR-FQEVSTJZSA-N 0 3 396.579 3.765 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109115 1038899840 /nfs/dbraw/zinc/89/98/40/1038899840.db2.gz UFCYEMKJGLEYCV-YOEHRIQHSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109115 1038899867 /nfs/dbraw/zinc/89/98/67/1038899867.db2.gz UFCYEMKJGLEYCV-YOEHRIQHSA-N 0 3 395.341 3.542 20 10 GHCDHN COc1cc([O-])c(CN2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC001233134635 1038916277 /nfs/dbraw/zinc/91/62/77/1038916277.db2.gz ABKRJDRIPONUFG-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN COc1cc([O-])c(CN2CCC(C)([NH+]3CCCC3)CC2)cc1Br ZINC001233141901 1038921005 /nfs/dbraw/zinc/92/10/05/1038921005.db2.gz MDHCQMSWMNJBMG-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c1O ZINC001233288888 1039071829 /nfs/dbraw/zinc/07/18/29/1039071829.db2.gz BHCADMZZPWVMEO-QZTJIDSGSA-N 0 3 386.879 3.824 20 10 GHCDHN O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233745653 1039584305 /nfs/dbraw/zinc/58/43/05/1039584305.db2.gz NLYFCAUAZJYYQR-HNNXBMFYSA-N 0 3 398.425 3.562 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754334 1039592784 /nfs/dbraw/zinc/59/27/84/1039592784.db2.gz DMJCTWBZKHNEBR-SFHVURJKSA-N 0 3 386.414 3.658 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754334 1039592792 /nfs/dbraw/zinc/59/27/92/1039592792.db2.gz DMJCTWBZKHNEBR-SFHVURJKSA-N 0 3 386.414 3.658 20 10 GHCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767606 1039600334 /nfs/dbraw/zinc/60/03/34/1039600334.db2.gz FSHWJEZIJJGRNV-ZDUSSCGKSA-N 0 3 375.387 3.987 20 10 GHCDHN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767606 1039600336 /nfs/dbraw/zinc/60/03/36/1039600336.db2.gz FSHWJEZIJJGRNV-ZDUSSCGKSA-N 0 3 375.387 3.987 20 10 GHCDHN C[C@](O)(C1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1)C(F)(F)F ZINC001233768048 1039602091 /nfs/dbraw/zinc/60/20/91/1039602091.db2.gz JZPUANUIIBWESE-AWEZNQCLSA-N 0 3 387.320 3.816 20 10 GHCDHN COc1ccc2ccc(O)c(CN3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c2c1 ZINC001234525778 1040100999 /nfs/dbraw/zinc/10/09/99/1040100999.db2.gz JTMZMYWRCLLLKG-HOTGVXAUSA-N 0 3 384.476 3.748 20 10 GHCDHN COc1ccc2ccc(O)c(CN3CC4(C3)CN(C(=O)OC(C)(C)C)C4)c2c1 ZINC001234526281 1040101468 /nfs/dbraw/zinc/10/14/68/1040101468.db2.gz SFEJGSIRMZSLRJ-UHFFFAOYSA-N 0 3 384.476 3.607 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)c2c1 ZINC001234535628 1040107871 /nfs/dbraw/zinc/10/78/71/1040107871.db2.gz CDQQNLNMRLFFRT-MDNUFGMLSA-N 0 3 383.488 3.712 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)c2c1 ZINC001234535628 1040107882 /nfs/dbraw/zinc/10/78/82/1040107882.db2.gz CDQQNLNMRLFFRT-MDNUFGMLSA-N 0 3 383.488 3.712 20 10 GHCDHN COc1ccc2ccc(O)c(CN3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)c2c1 ZINC001234535628 1040107897 /nfs/dbraw/zinc/10/78/97/1040107897.db2.gz CDQQNLNMRLFFRT-MDNUFGMLSA-N 0 3 383.488 3.712 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](Oc4nccnc4C)C3)c2c1 ZINC001234570046 1040138414 /nfs/dbraw/zinc/13/84/14/1040138414.db2.gz WKXZHTRPMQGWNV-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](Oc4nccnc4C)C3)c2c1 ZINC001234570046 1040138421 /nfs/dbraw/zinc/13/84/21/1040138421.db2.gz WKXZHTRPMQGWNV-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+]([C@H]1CCCOC1)C[C@H]2c1ccc(O)cc1 ZINC001254385514 1040204685 /nfs/dbraw/zinc/20/46/85/1040204685.db2.gz GQPAOSQZPHUYLX-KSSFIOAISA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+]([C@H]1CCCOC1)C[C@H]2c1ccc(O)cc1 ZINC001254385514 1040204693 /nfs/dbraw/zinc/20/46/93/1040204693.db2.gz GQPAOSQZPHUYLX-KSSFIOAISA-N 0 3 389.879 3.626 20 10 GHCDHN CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998368 1040492643 /nfs/dbraw/zinc/49/26/43/1040492643.db2.gz FPZXDQIHQZXSAD-HXUWFJFHSA-N 0 3 382.504 3.519 20 10 GHCDHN CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998368 1040492653 /nfs/dbraw/zinc/49/26/53/1040492653.db2.gz FPZXDQIHQZXSAD-HXUWFJFHSA-N 0 3 382.504 3.519 20 10 GHCDHN COc1cnc(OC2CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)nc1 ZINC001234999279 1040495108 /nfs/dbraw/zinc/49/51/08/1040495108.db2.gz KVTATBIFKYGJHZ-UHFFFAOYSA-N 0 3 391.471 3.901 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001235681868 1041147063 /nfs/dbraw/zinc/14/70/63/1041147063.db2.gz LUEJOARUXCFTLI-UHFFFAOYSA-N 0 3 388.533 3.924 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC2 ZINC001235681868 1041147074 /nfs/dbraw/zinc/14/70/74/1041147074.db2.gz LUEJOARUXCFTLI-UHFFFAOYSA-N 0 3 388.533 3.924 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c([O-])c1 ZINC001235684411 1041151538 /nfs/dbraw/zinc/15/15/38/1041151538.db2.gz XMZHLAJTBGYYGL-REWPJTCUSA-N 0 3 382.504 3.897 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c([O-])c1 ZINC001235684411 1041151563 /nfs/dbraw/zinc/15/15/63/1041151563.db2.gz XMZHLAJTBGYYGL-REWPJTCUSA-N 0 3 382.504 3.897 20 10 GHCDHN COCCOc1ccc(N2CCN([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001255720182 1041247285 /nfs/dbraw/zinc/24/72/85/1041247285.db2.gz KITQGORTWCGCNM-SJLPKXTDSA-N 0 3 386.458 3.955 20 10 GHCDHN COc1cc([O-])c(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236395445 1041698884 /nfs/dbraw/zinc/69/88/84/1041698884.db2.gz JKNPOIXORWTHNH-QGZVFWFLSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1ccc(CN(Cc2ccc(Cl)cc2[O-])C2CC[NH2+]CC2)cc1F ZINC001236515721 1041748790 /nfs/dbraw/zinc/74/87/90/1041748790.db2.gz MRCRGZILIRBONK-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1cc(C[N@H+](C)CCCC(=O)c2cccnc2)c([O-])cc1Br ZINC001236752739 1041872579 /nfs/dbraw/zinc/87/25/79/1041872579.db2.gz GHHNFEOLQPYYHE-UHFFFAOYSA-N 0 3 393.281 3.653 20 10 GHCDHN COc1cc(C[N@@H+](C)CCCC(=O)c2cccnc2)c([O-])cc1Br ZINC001236752739 1041872584 /nfs/dbraw/zinc/87/25/84/1041872584.db2.gz GHHNFEOLQPYYHE-UHFFFAOYSA-N 0 3 393.281 3.653 20 10 GHCDHN CCNC(=O)OC1CCN(Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236783758 1041889875 /nfs/dbraw/zinc/88/98/75/1041889875.db2.gz VBSKEBVPPYRRHW-UHFFFAOYSA-N 0 3 384.476 3.682 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)c([O-])c1 ZINC001236788349 1041894515 /nfs/dbraw/zinc/89/45/15/1041894515.db2.gz JHMPXPHYVVRAJE-HSZRJFAPSA-N 0 3 399.510 3.608 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)c([O-])c1 ZINC001236788349 1041894516 /nfs/dbraw/zinc/89/45/16/1041894516.db2.gz JHMPXPHYVVRAJE-HSZRJFAPSA-N 0 3 399.510 3.608 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001236808300 1041908764 /nfs/dbraw/zinc/90/87/64/1041908764.db2.gz OWANIWKOGYCHSK-JKSUJKDBSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001236808300 1041908767 /nfs/dbraw/zinc/90/87/67/1041908767.db2.gz OWANIWKOGYCHSK-JKSUJKDBSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)c([O-])c1 ZINC001236815006 1041913436 /nfs/dbraw/zinc/91/34/36/1041913436.db2.gz ZSHNVDFAZDHVBK-UHFFFAOYSA-N 0 3 382.460 3.701 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236827451 1041919418 /nfs/dbraw/zinc/91/94/18/1041919418.db2.gz SFDILTDCJSKMLE-UHFFFAOYSA-N 0 3 382.485 3.779 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236827451 1041919419 /nfs/dbraw/zinc/91/94/19/1041919419.db2.gz SFDILTDCJSKMLE-UHFFFAOYSA-N 0 3 382.485 3.779 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001236828514 1041919789 /nfs/dbraw/zinc/91/97/89/1041919789.db2.gz AKHGULIWIQTZRY-GGAORHGYSA-N 0 3 376.456 3.753 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001236828514 1041919790 /nfs/dbraw/zinc/91/97/90/1041919790.db2.gz AKHGULIWIQTZRY-GGAORHGYSA-N 0 3 376.456 3.753 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3cc4ccccc4cc3[O-])C[C@H]2C1 ZINC001236832850 1041922183 /nfs/dbraw/zinc/92/21/83/1041922183.db2.gz RMPQNFRZQUZJPG-PMACEKPBSA-N 0 3 378.497 3.811 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CCC[C@@H](CF)C3)cc2C1 ZINC001236844474 1041926387 /nfs/dbraw/zinc/92/63/87/1041926387.db2.gz ALMVCGMIFBNPPI-HNNXBMFYSA-N 0 3 394.487 3.703 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CCC[C@@H](CF)C3)cc2C1 ZINC001236844474 1041926388 /nfs/dbraw/zinc/92/63/88/1041926388.db2.gz ALMVCGMIFBNPPI-HNNXBMFYSA-N 0 3 394.487 3.703 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001237041726 1042001181 /nfs/dbraw/zinc/00/11/81/1042001181.db2.gz SSOAIVIYWRDQKL-DEOSSOPVSA-N 0 3 394.515 3.724 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001237041726 1042001189 /nfs/dbraw/zinc/00/11/89/1042001189.db2.gz SSOAIVIYWRDQKL-DEOSSOPVSA-N 0 3 394.515 3.724 20 10 GHCDHN CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(OCC)cc3[O-])C2)cc1 ZINC001237047274 1042006347 /nfs/dbraw/zinc/00/63/47/1042006347.db2.gz LDUMAMBZLRFLFR-NRFANRHFSA-N 0 3 398.503 3.584 20 10 GHCDHN CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(OCC)cc3[O-])C2)cc1 ZINC001237047274 1042006351 /nfs/dbraw/zinc/00/63/51/1042006351.db2.gz LDUMAMBZLRFLFR-NRFANRHFSA-N 0 3 398.503 3.584 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001237050144 1042008885 /nfs/dbraw/zinc/00/88/85/1042008885.db2.gz QHUDVRXDNLQLAU-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001237050144 1042008890 /nfs/dbraw/zinc/00/88/90/1042008890.db2.gz QHUDVRXDNLQLAU-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c([O-])c1 ZINC001237053938 1042011550 /nfs/dbraw/zinc/01/15/50/1042011550.db2.gz RTNRJNWENLMZIQ-AVRDEDQJSA-N 0 3 386.467 3.862 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c([O-])c1 ZINC001237053938 1042011558 /nfs/dbraw/zinc/01/15/58/1042011558.db2.gz RTNRJNWENLMZIQ-AVRDEDQJSA-N 0 3 386.467 3.862 20 10 GHCDHN Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064276 1042017614 /nfs/dbraw/zinc/01/76/14/1042017614.db2.gz ZJDAVNRFFKWYND-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064276 1042017620 /nfs/dbraw/zinc/01/76/20/1042017620.db2.gz ZJDAVNRFFKWYND-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c(Br)c1 ZINC001237068091 1042019783 /nfs/dbraw/zinc/01/97/83/1042019783.db2.gz MVNVRZYXJLPLJY-ZDUSSCGKSA-N 0 3 393.281 3.520 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c(Br)c1 ZINC001237068091 1042019788 /nfs/dbraw/zinc/01/97/88/1042019788.db2.gz MVNVRZYXJLPLJY-ZDUSSCGKSA-N 0 3 393.281 3.520 20 10 GHCDHN O=C(c1ccco1)N1CC[C@H]2C[N@@H+](Cc3c([O-])ccc(Cl)c3Cl)C[C@H]21 ZINC001237079560 1042025550 /nfs/dbraw/zinc/02/55/50/1042025550.db2.gz DIQCUFYUVXZSQP-SMDDNHRTSA-N 0 3 381.259 3.639 20 10 GHCDHN O=C(c1ccco1)N1CC[C@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3Cl)C[C@H]21 ZINC001237079560 1042025555 /nfs/dbraw/zinc/02/55/55/1042025555.db2.gz DIQCUFYUVXZSQP-SMDDNHRTSA-N 0 3 381.259 3.639 20 10 GHCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(Br)c2)C2(CC2)C1 ZINC001237094009 1042033011 /nfs/dbraw/zinc/03/30/11/1042033011.db2.gz RQBMLHBVWATFQL-OAHLLOKOSA-N 0 3 378.358 3.575 20 10 GHCDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237112532 1042044129 /nfs/dbraw/zinc/04/41/29/1042044129.db2.gz JMUYWJBLQPMMLJ-LJQANCHMSA-N 0 3 398.425 3.515 20 10 GHCDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237112532 1042044135 /nfs/dbraw/zinc/04/41/35/1042044135.db2.gz JMUYWJBLQPMMLJ-LJQANCHMSA-N 0 3 398.425 3.515 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1c1ccccc1 ZINC001237124737 1042053304 /nfs/dbraw/zinc/05/33/04/1042053304.db2.gz DIOFVMILAKBFFG-GJZGRUSLSA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1c1ccccc1 ZINC001237124737 1042053308 /nfs/dbraw/zinc/05/33/08/1042053308.db2.gz DIOFVMILAKBFFG-GJZGRUSLSA-N 0 3 395.377 3.679 20 10 GHCDHN [O-]c1cccc(OC(F)(F)F)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001237126124 1042053954 /nfs/dbraw/zinc/05/39/54/1042053954.db2.gz UUEUXZCSAJDUPZ-GJZGRUSLSA-N 0 3 378.394 3.859 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001237134845 1042056529 /nfs/dbraw/zinc/05/65/29/1042056529.db2.gz BYKGXMYZZNJSIG-HNNXBMFYSA-N 0 3 393.409 3.740 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@@H](C)O)cc1 ZINC001237138157 1042060224 /nfs/dbraw/zinc/06/02/24/1042060224.db2.gz UMJQNQJVVZBENG-CQSZACIVSA-N 0 3 383.410 3.845 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@@H](C)O)cc1 ZINC001237138157 1042060227 /nfs/dbraw/zinc/06/02/27/1042060227.db2.gz UMJQNQJVVZBENG-CQSZACIVSA-N 0 3 383.410 3.845 20 10 GHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001237138926 1042060651 /nfs/dbraw/zinc/06/06/51/1042060651.db2.gz ACBMWDKDTWLBKI-FOLVSLTJSA-N 0 3 386.414 3.708 20 10 GHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001237138926 1042060656 /nfs/dbraw/zinc/06/06/56/1042060656.db2.gz ACBMWDKDTWLBKI-FOLVSLTJSA-N 0 3 386.414 3.708 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4occc4[S-])C3)C2)cc1 ZINC001237177545 1042079664 /nfs/dbraw/zinc/07/96/64/1042079664.db2.gz QONBCMCGTYQGLM-NRFANRHFSA-N 0 3 388.533 3.696 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4occc4[S-])C3)C2)cc1 ZINC001237177545 1042079666 /nfs/dbraw/zinc/07/96/66/1042079666.db2.gz QONBCMCGTYQGLM-NRFANRHFSA-N 0 3 388.533 3.696 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)c1ccccc1N(CC1CC1)C2=O ZINC001237486106 1042229414 /nfs/dbraw/zinc/22/94/14/1042229414.db2.gz NXMBPUNSQAVZGH-UHFFFAOYSA-N 0 3 376.500 3.991 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC001237487821 1042231525 /nfs/dbraw/zinc/23/15/25/1042231525.db2.gz DYABPPLTWOWAED-FQEVSTJZSA-N 0 3 398.478 3.707 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC001237487821 1042231531 /nfs/dbraw/zinc/23/15/31/1042231531.db2.gz DYABPPLTWOWAED-FQEVSTJZSA-N 0 3 398.478 3.707 20 10 GHCDHN O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940454 1042430502 /nfs/dbraw/zinc/43/05/02/1042430502.db2.gz LHBJOFATBQCCQO-UHFFFAOYSA-N 0 3 377.847 3.971 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)c1[O-] ZINC001238059269 1042478350 /nfs/dbraw/zinc/47/83/50/1042478350.db2.gz BHGQIZRRWXJRRN-FQEVSTJZSA-N 0 3 382.479 3.678 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001257795274 1044179642 /nfs/dbraw/zinc/17/96/42/1044179642.db2.gz BDXJPVRWYAZJCK-KKSFZXQISA-N 0 3 376.497 3.757 20 10 GHCDHN CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1CCN1CC=CCC1 ZINC001298363316 1045784622 /nfs/dbraw/zinc/78/46/22/1045784622.db2.gz CHORBPBAFHSBLI-UHFFFAOYSA-N 0 3 381.524 3.540 20 10 GHCDHN COc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2scnc2C)c([O-])c1Cl ZINC001279665658 1047905728 /nfs/dbraw/zinc/90/57/28/1047905728.db2.gz QUCDMWKSKBZQGG-GJZGRUSLSA-N 0 3 393.940 3.668 20 10 GHCDHN COc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2scnc2C)c([O-])c1Cl ZINC001279665658 1047905733 /nfs/dbraw/zinc/90/57/33/1047905733.db2.gz QUCDMWKSKBZQGG-GJZGRUSLSA-N 0 3 393.940 3.668 20 10 GHCDHN O=[N+]([O-])c1ccc(OCCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000732202724 1048991282 /nfs/dbraw/zinc/99/12/82/1048991282.db2.gz FHWUVHGWKKGUAY-FQEVSTJZSA-N 0 3 386.448 3.751 20 10 GHCDHN O=[N+]([O-])c1ccc(OCCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000732202724 1048991284 /nfs/dbraw/zinc/99/12/84/1048991284.db2.gz FHWUVHGWKKGUAY-FQEVSTJZSA-N 0 3 386.448 3.751 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)N(C)C)cc1 ZINC001289601915 1049556897 /nfs/dbraw/zinc/55/68/97/1049556897.db2.gz GGBJHQUARSSJKG-BJLQDIEVSA-N 0 3 379.495 3.687 20 10 GHCDHN CN(C)c1cc(F)c(CNCCOc2ccc(Br)cc2)cc1F ZINC001308254094 1049927431 /nfs/dbraw/zinc/92/74/31/1049927431.db2.gz GXRHBMXMYNSBQJ-UHFFFAOYSA-N 0 3 385.252 3.962 20 10 GHCDHN COc1cc([C@H](C)NC/C=C/c2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC001308553066 1050006917 /nfs/dbraw/zinc/00/69/17/1050006917.db2.gz YUGHPLDLTAFJBK-MOEXGYKKSA-N 0 3 388.533 3.529 20 10 GHCDHN CC[C@@H](C)n1nc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001310473361 1051381824 /nfs/dbraw/zinc/38/18/24/1051381824.db2.gz BGRFZDCCFAXTMB-DNVCBOLYSA-N 0 3 386.544 3.653 20 10 GHCDHN CCOc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(F)c1 ZINC001310901457 1051690517 /nfs/dbraw/zinc/69/05/17/1051690517.db2.gz XKBMCXAAOCUGEG-FQEVSTJZSA-N 0 3 388.487 3.715 20 10 GHCDHN Cc1cc(CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)c(C)n1-c1ccccc1 ZINC001313100460 1052957611 /nfs/dbraw/zinc/95/76/11/1052957611.db2.gz LOTRLBRACOTBGA-FGZHOGPDSA-N 0 3 380.536 3.515 20 10 GHCDHN COc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ccc1F ZINC001322983404 1056902317 /nfs/dbraw/zinc/90/23/17/1056902317.db2.gz BJOJDPZPPTWGEV-KRWDZBQOSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCCCCC2=O)c1[O-] ZINC000848513477 1057142940 /nfs/dbraw/zinc/14/29/40/1057142940.db2.gz FBJBGZRHHXJHCR-CYBMUJFWSA-N 0 3 399.329 3.607 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1[O-] ZINC000848526221 1057149734 /nfs/dbraw/zinc/14/97/34/1057149734.db2.gz USZRSTRYOJSYMJ-GFCCVEGCSA-N 0 3 390.281 3.864 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000848528104 1057150807 /nfs/dbraw/zinc/15/08/07/1057150807.db2.gz KNNPVYYHBULWCL-QLJPJBMISA-N 0 3 386.311 3.783 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000848530202 1057152120 /nfs/dbraw/zinc/15/21/20/1057152120.db2.gz XDQNECBNCCLHGC-NSHDSACASA-N 0 3 395.253 3.965 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(SC)CCOCC2)c1[O-] ZINC000848534917 1057156445 /nfs/dbraw/zinc/15/64/45/1057156445.db2.gz WGUBDAGMJZAPHH-LLVKDONJSA-N 0 3 390.343 3.726 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1[O-] ZINC000848549071 1057170721 /nfs/dbraw/zinc/17/07/21/1057170721.db2.gz KHWUAIGAXZJTCA-BBRMVZONSA-N 0 3 394.309 3.808 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000848549783 1057171735 /nfs/dbraw/zinc/17/17/35/1057171735.db2.gz UGCNXWRKBCTRQH-GFCCVEGCSA-N 0 3 384.314 3.757 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848562913 1057180630 /nfs/dbraw/zinc/18/06/30/1057180630.db2.gz MFHXJXLEHJYWMH-WDEREUQCSA-N 0 3 388.302 3.792 20 10 GHCDHN COC(=O)c1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1C ZINC001466649930 1066234316 /nfs/dbraw/zinc/23/43/16/1066234316.db2.gz CBXUHYPSQJFWOB-UHFFFAOYSA-N 0 3 395.503 3.564 20 10 GHCDHN Cc1cc(Br)cc(CNc2ccc([C@H]3CNCCO3)cc2)c1O ZINC000849352570 1067818057 /nfs/dbraw/zinc/81/80/57/1067818057.db2.gz OJOXRMKCZNKDQV-QGZVFWFLSA-N 0 3 377.282 3.736 20 10 GHCDHN Cc1cc(CCNC(=O)NC[C@H]2CCN2C(C)(C)C)c(C)n1-c1ccccc1 ZINC001478961646 1079040878 /nfs/dbraw/zinc/04/08/78/1079040878.db2.gz MEIAAMDYRHQSAE-OAQYLSRUSA-N 0 3 382.552 3.809 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736818902 598716169 /nfs/dbraw/zinc/71/61/69/598716169.db2.gz DDTWHMMBGDIRMS-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736818902 598716171 /nfs/dbraw/zinc/71/61/71/598716171.db2.gz DDTWHMMBGDIRMS-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736818902 598716173 /nfs/dbraw/zinc/71/61/73/598716173.db2.gz DDTWHMMBGDIRMS-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736818902 598716175 /nfs/dbraw/zinc/71/61/75/598716175.db2.gz DDTWHMMBGDIRMS-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821611014 607056346 /nfs/dbraw/zinc/05/63/46/607056346.db2.gz NQPXKTWWBDLBJE-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821611014 607056347 /nfs/dbraw/zinc/05/63/47/607056347.db2.gz NQPXKTWWBDLBJE-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821611014 607056348 /nfs/dbraw/zinc/05/63/48/607056348.db2.gz NQPXKTWWBDLBJE-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821611014 607056349 /nfs/dbraw/zinc/05/63/49/607056349.db2.gz NQPXKTWWBDLBJE-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN COCCOc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000154068968 835104427 /nfs/dbraw/zinc/10/44/27/835104427.db2.gz GAXBMWBNHADRIR-KRWDZBQOSA-N 0 3 388.483 3.538 20 10 GHCDHN CCOc1ccc(CNCC(=O)Nc2cc(Br)ccc2C)c(O)c1 ZINC000725850559 836378763 /nfs/dbraw/zinc/37/87/63/836378763.db2.gz BJQSWKVRNXNHHL-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CCOc1ccc(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)c([O-])c1 ZINC000725850559 836378776 /nfs/dbraw/zinc/37/87/76/836378776.db2.gz BJQSWKVRNXNHHL-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000155367722 836889890 /nfs/dbraw/zinc/88/98/90/836889890.db2.gz TXCSRWAVDJJFOE-FVJLSDCUSA-N 0 3 382.504 3.883 20 10 GHCDHN COCc1cc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000165189037 843073914 /nfs/dbraw/zinc/07/39/14/843073914.db2.gz GWMGPIZTEGRBRL-INIZCTEOSA-N 0 3 388.483 3.668 20 10 GHCDHN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000731134374 861484503 /nfs/dbraw/zinc/48/45/03/861484503.db2.gz JFWGOBXSSIJVRB-FQEVSTJZSA-N 0 3 391.475 3.641 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)N[C@H](C)c2cc(OC)ccc2O)N(C)C)cc1 ZINC000729045206 844698203 /nfs/dbraw/zinc/69/82/03/844698203.db2.gz RDCZAUXUSWEXGS-QRWLVFNGSA-N 0 3 385.508 3.626 20 10 GHCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC001167512365 845937603 /nfs/dbraw/zinc/93/76/03/845937603.db2.gz LVYXQGAVOBXXJU-KRWDZBQOSA-N 0 3 395.341 3.910 20 10 GHCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC001167512365 845937611 /nfs/dbraw/zinc/93/76/11/845937611.db2.gz LVYXQGAVOBXXJU-KRWDZBQOSA-N 0 3 395.341 3.910 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000472221092 846933092 /nfs/dbraw/zinc/93/30/92/846933092.db2.gz MGBCQXSXDPRZAR-UHFFFAOYSA-N 0 3 396.510 3.899 20 10 GHCDHN O=C(CN[C@H]1CCOC12CCOCC2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000934406324 847012196 /nfs/dbraw/zinc/01/21/96/847012196.db2.gz QFZNIIHAHAXFMC-FQEVSTJZSA-N 0 3 394.475 3.968 20 10 GHCDHN Cc1cc(CC(=O)N(C)[C@@H]2CN3CCC2CC3)c(C)n1-c1ccc(Cl)cc1 ZINC000732160333 862095306 /nfs/dbraw/zinc/09/53/06/862095306.db2.gz OQCPDYMBFQVZQP-OAQYLSRUSA-N 0 3 385.939 3.843 20 10 GHCDHN COc1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1OC ZINC000732205204 862129417 /nfs/dbraw/zinc/12/94/17/862129417.db2.gz KKOUHXIKEGNLRL-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1OC ZINC000732205204 862129423 /nfs/dbraw/zinc/12/94/23/862129423.db2.gz KKOUHXIKEGNLRL-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c2c1c(F)ccc2[O-] ZINC000760020257 851991194 /nfs/dbraw/zinc/99/11/94/851991194.db2.gz UQRDALOKFFOEIN-KPFFTGBYSA-N 0 3 384.495 3.960 20 10 GHCDHN C[C@H](NCCC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000129037650 856758387 /nfs/dbraw/zinc/75/83/87/856758387.db2.gz CJTDSODFXBPHAS-KRWDZBQOSA-N 0 3 393.959 3.620 20 10 GHCDHN C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766068102 856794452 /nfs/dbraw/zinc/79/44/52/856794452.db2.gz AIFJOSXDJKBYQR-INIZCTEOSA-N 0 3 397.910 3.608 20 10 GHCDHN Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)ccc1Br ZINC000766088365 856963690 /nfs/dbraw/zinc/96/36/90/856963690.db2.gz OKCCHFYTSILGFL-KRWDZBQOSA-N 0 3 389.293 3.748 20 10 GHCDHN O=S1(=O)CCN(c2ccc(CNCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000733330853 862872484 /nfs/dbraw/zinc/87/24/84/862872484.db2.gz QHJCTEXFTBEZFY-UHFFFAOYSA-N 0 3 399.343 3.518 20 10 GHCDHN COc1ccccc1COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613312 863063399 /nfs/dbraw/zinc/06/33/99/863063399.db2.gz LXXRAPZFABZXEG-NRFANRHFSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1ccccc1COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613312 863063411 /nfs/dbraw/zinc/06/34/11/863063411.db2.gz LXXRAPZFABZXEG-NRFANRHFSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000761195999 859071948 /nfs/dbraw/zinc/07/19/48/859071948.db2.gz QXTIZUPRLRWINE-ZDUSSCGKSA-N 0 3 384.904 3.791 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000765295083 859892898 /nfs/dbraw/zinc/89/28/98/859892898.db2.gz COCSSTPBRWUICH-IBGZPJMESA-N 0 3 390.531 3.932 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765486352 859993274 /nfs/dbraw/zinc/99/32/74/859993274.db2.gz WVCWKLPISLVVCE-AWEZNQCLSA-N 0 3 394.487 3.916 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000765657356 860381121 /nfs/dbraw/zinc/38/11/21/860381121.db2.gz DNDLIALQZJYEIM-DLBZAZTESA-N 0 3 389.565 3.805 20 10 GHCDHN [O-]c1ccc2oc3c(c2c1CN1CC[NH+](CC2CCOCC2)CC1)CCCC3 ZINC000172407307 863594870 /nfs/dbraw/zinc/59/48/70/863594870.db2.gz QGMDVZJCFCKRQQ-UHFFFAOYSA-N 0 3 384.520 3.561 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000734167413 864045487 /nfs/dbraw/zinc/04/54/87/864045487.db2.gz TXFNRXQWHMPHIA-HSZRJFAPSA-N 0 3 392.547 3.751 20 10 GHCDHN CC[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1C)N1CCc2ccccc2C1 ZINC000734522158 864274345 /nfs/dbraw/zinc/27/43/45/864274345.db2.gz XTWUQTFWEKELPX-QFIPXVFZSA-N 0 3 394.563 3.697 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)NCc3ccc(N(C)C)cc3C)cc2)CC1 ZINC000734642639 864364030 /nfs/dbraw/zinc/36/40/30/864364030.db2.gz QQIQUXYLLLOXGV-UHFFFAOYSA-N 0 3 395.551 3.525 20 10 GHCDHN CN(C)c1ccc(CNCc2ccccc2Cn2cncn2)c(C(F)(F)F)c1 ZINC000792881473 881769778 /nfs/dbraw/zinc/76/97/78/881769778.db2.gz JJOAXQCDZICJQD-UHFFFAOYSA-N 0 3 389.425 3.701 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000185340141 865985823 /nfs/dbraw/zinc/98/58/23/865985823.db2.gz ROQMKTQBWMERDN-OAHLLOKOSA-N 0 3 396.578 3.686 20 10 GHCDHN O=C1[C@H](NCc2ccc3c(c2)CCO3)CCCN1c1ccc(OC(F)F)cc1 ZINC000742378160 867271102 /nfs/dbraw/zinc/27/11/02/867271102.db2.gz CVSLETVEXQWQAZ-GOSISDBHSA-N 0 3 388.414 3.508 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC000793299171 882079812 /nfs/dbraw/zinc/07/98/12/882079812.db2.gz QXXUZPUEQAPTBA-IBGZPJMESA-N 0 3 398.503 3.929 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC000793299171 882079792 /nfs/dbraw/zinc/07/97/92/882079792.db2.gz QXXUZPUEQAPTBA-IBGZPJMESA-N 0 3 398.503 3.929 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000793386255 882162261 /nfs/dbraw/zinc/16/22/61/882162261.db2.gz JPIHHGYUDSTXHH-UHFFFAOYSA-N 0 3 384.476 3.988 20 10 GHCDHN Oc1ccccc1CN(Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CCCO1 ZINC000744402051 868809305 /nfs/dbraw/zinc/80/93/05/868809305.db2.gz HUDGVZRNSYOHHE-MRXNPFEDSA-N 0 3 375.852 3.956 20 10 GHCDHN C[C@@H](NCc1ccnn1CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000766561040 871073485 /nfs/dbraw/zinc/07/34/85/871073485.db2.gz PTQJBNLOWJOTNK-HXUWFJFHSA-N 0 3 390.531 3.813 20 10 GHCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775644975 872258080 /nfs/dbraw/zinc/25/80/80/872258080.db2.gz UWWCKVQWAKRFOE-UHFFFAOYSA-N 0 3 388.899 3.632 20 10 GHCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1cc(Br)cc(OC)c1O ZINC000768196711 873162843 /nfs/dbraw/zinc/16/28/43/873162843.db2.gz FYRSJDARQYXXQR-UHFFFAOYSA-N 0 3 394.265 3.914 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccc(Br)c1)C1CC1)[C@@H](O)CO2 ZINC000768441463 873306740 /nfs/dbraw/zinc/30/67/40/873306740.db2.gz LQBPDRKSDXCQBS-SFHVURJKSA-N 0 3 390.277 3.745 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccc(Br)c1)C1CC1)[C@@H](O)CO2 ZINC000768441463 873306756 /nfs/dbraw/zinc/30/67/56/873306756.db2.gz LQBPDRKSDXCQBS-SFHVURJKSA-N 0 3 390.277 3.745 20 10 GHCDHN C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443257 873307198 /nfs/dbraw/zinc/30/71/98/873307198.db2.gz CCUPHPBCUKIEAY-NRFANRHFSA-N 0 3 398.434 3.677 20 10 GHCDHN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443257 873307213 /nfs/dbraw/zinc/30/72/13/873307213.db2.gz CCUPHPBCUKIEAY-NRFANRHFSA-N 0 3 398.434 3.677 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc3c(c1)OCO3)C1CCCCC1)[C@@H](O)CO2 ZINC000768453317 873312715 /nfs/dbraw/zinc/31/27/15/873312715.db2.gz VGHDCHVDALGENJ-FQEVSTJZSA-N 0 3 397.471 3.882 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C1CCCCC1)[C@@H](O)CO2 ZINC000768453317 873312732 /nfs/dbraw/zinc/31/27/32/873312732.db2.gz VGHDCHVDALGENJ-FQEVSTJZSA-N 0 3 397.471 3.882 20 10 GHCDHN Cc1cc(CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)ccc1N(C)C ZINC001197573721 873879231 /nfs/dbraw/zinc/87/92/31/873879231.db2.gz MIOVHTBGWHTXPO-PUZFROQSSA-N 0 3 389.337 3.963 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000769205774 873887229 /nfs/dbraw/zinc/88/72/29/873887229.db2.gz IBLFUQIXBQDGFR-KRWDZBQOSA-N 0 3 383.492 3.743 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000769205774 873887249 /nfs/dbraw/zinc/88/72/49/873887249.db2.gz IBLFUQIXBQDGFR-KRWDZBQOSA-N 0 3 383.492 3.743 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1[O-] ZINC000775786418 874023977 /nfs/dbraw/zinc/02/39/77/874023977.db2.gz VCDMDKWYYKJASN-INIZCTEOSA-N 0 3 379.298 3.983 20 10 GHCDHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000769538754 874143957 /nfs/dbraw/zinc/14/39/57/874143957.db2.gz WCMOZNBHCHEOBF-UHFFFAOYSA-N 0 3 388.483 3.518 20 10 GHCDHN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775833616 874302501 /nfs/dbraw/zinc/30/25/01/874302501.db2.gz FKRMUQKOHSDWMF-QGZVFWFLSA-N 0 3 396.535 3.524 20 10 GHCDHN O[C@H](C[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000770291868 874580441 /nfs/dbraw/zinc/58/04/41/874580441.db2.gz NDTHWUQEJQKLLX-YLJYHZDGSA-N 0 3 390.524 3.812 20 10 GHCDHN CCOC(=O)c1[nH]c(C)c(CNCc2ccc(N3CCSCC3)cc2)c1C ZINC000858100768 882846985 /nfs/dbraw/zinc/84/69/85/882846985.db2.gz ZBOLIWXVJUQOPT-UHFFFAOYSA-N 0 3 387.549 3.651 20 10 GHCDHN C[C@H]1CN(c2ccc(CNCc3c[nH]nc3-c3cccnc3)cc2F)C[C@H](C)O1 ZINC001199413524 874976249 /nfs/dbraw/zinc/97/62/49/874976249.db2.gz PUGSVJYVCPAFDM-HOTGVXAUSA-N 0 3 395.482 3.514 20 10 GHCDHN CN(C)c1ccc([C@@H](CNCc2ccnc(F)c2)NC(=O)OC(C)(C)C)cc1 ZINC000858156071 882893930 /nfs/dbraw/zinc/89/39/30/882893930.db2.gz KXLZVMCRHULNQU-GOSISDBHSA-N 0 3 388.487 3.642 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151576584 875098368 /nfs/dbraw/zinc/09/83/68/875098368.db2.gz UTIHNRLZTWMIIF-QGZVFWFLSA-N 0 3 383.492 3.963 20 10 GHCDHN Fc1cc(CN2CCC[C@@]3(C2)OCc2ccccc23)ccc1N1CCOCC1 ZINC000776013454 875109891 /nfs/dbraw/zinc/10/98/91/875109891.db2.gz HHCLMAYMYLBZJK-QHCPKHFHSA-N 0 3 382.479 3.684 20 10 GHCDHN Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(C)n1-c1ccccn1 ZINC000771508115 875303571 /nfs/dbraw/zinc/30/35/71/875303571.db2.gz MLGQDWDJSVSIGO-HTAPYJJXSA-N 0 3 376.504 3.910 20 10 GHCDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(C)n1-c1ccccn1 ZINC000771508121 875303862 /nfs/dbraw/zinc/30/38/62/875303862.db2.gz MLGQDWDJSVSIGO-JTSKRJEESA-N 0 3 376.504 3.910 20 10 GHCDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000858328450 883030066 /nfs/dbraw/zinc/03/00/66/883030066.db2.gz OOKUPNIGFHKPAT-RBBKRZOGSA-N 0 3 390.487 3.561 20 10 GHCDHN COCc1csc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000850034868 876619129 /nfs/dbraw/zinc/61/91/29/876619129.db2.gz SLXLMELZPOLLTC-GASCZTMLSA-N 0 3 378.513 3.937 20 10 GHCDHN O=[S@@](CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])CC(F)(F)F ZINC000850496707 876972875 /nfs/dbraw/zinc/97/28/75/876972875.db2.gz QFKFPEDRCRJUHO-QLXKLKPCSA-N 0 3 385.451 3.967 20 10 GHCDHN COc1ncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC000850567947 877036250 /nfs/dbraw/zinc/03/62/50/877036250.db2.gz MNDACBWLFXRMLG-CQSZACIVSA-N 0 3 375.900 3.556 20 10 GHCDHN CCN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCN(CC)C1 ZINC000850607737 877064487 /nfs/dbraw/zinc/06/44/87/877064487.db2.gz QCWZEELSEVVQSV-HXUWFJFHSA-N 0 3 393.491 3.983 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1[O-] ZINC000787438247 877402351 /nfs/dbraw/zinc/40/23/51/877402351.db2.gz KZDGANHWGXQJEP-GOSISDBHSA-N 0 3 394.849 3.913 20 10 GHCDHN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000787683089 877552880 /nfs/dbraw/zinc/55/28/80/877552880.db2.gz HTUGQHMAGNILLY-LJQANCHMSA-N 0 3 395.547 3.728 20 10 GHCDHN COC(=O)C[C@@](C)(NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccncc1 ZINC000825548090 878486945 /nfs/dbraw/zinc/48/69/45/878486945.db2.gz BKHGPZGXEUCPGP-JOCHJYFZSA-N 0 3 386.492 3.661 20 10 GHCDHN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(F)F ZINC000068478579 878607215 /nfs/dbraw/zinc/60/72/15/878607215.db2.gz NDVUAGQOVOEOLS-HNNXBMFYSA-N 0 3 392.446 3.984 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1NCc2ccccc21 ZINC000852812191 878614781 /nfs/dbraw/zinc/61/47/81/878614781.db2.gz PHGDIUVRBWUNNW-QGZVFWFLSA-N 0 3 389.293 3.738 20 10 GHCDHN Fc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)ccc1N1CCOCC1 ZINC000789768456 879247427 /nfs/dbraw/zinc/24/74/27/879247427.db2.gz HOFOBIJWTHIIIA-UHFFFAOYSA-N 0 3 398.526 3.575 20 10 GHCDHN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000854245229 879657575 /nfs/dbraw/zinc/65/75/75/879657575.db2.gz GRTXOBPRHOZMEZ-FQEVSTJZSA-N 0 3 398.551 3.930 20 10 GHCDHN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000790652580 879918540 /nfs/dbraw/zinc/91/85/40/879918540.db2.gz KGYRMXBXYJBZIW-QGZVFWFLSA-N 0 3 379.298 3.556 20 10 GHCDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000790895168 880053180 /nfs/dbraw/zinc/05/31/80/880053180.db2.gz HCXZBMKMQFDDGW-FQEVSTJZSA-N 0 3 385.508 3.817 20 10 GHCDHN Cc1nc2c(cccc2C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)o1 ZINC000792290852 881015778 /nfs/dbraw/zinc/01/57/78/881015778.db2.gz UPDCJWCDXNUDDD-UHFFFAOYSA-N 0 3 378.476 3.919 20 10 GHCDHN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000103510005 881243952 /nfs/dbraw/zinc/24/39/52/881243952.db2.gz JBFCKSJQRUTQHR-KSSFIOAISA-N 0 3 391.537 3.906 20 10 GHCDHN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000777117639 884006545 /nfs/dbraw/zinc/00/65/45/884006545.db2.gz XOGHFBDPCFZTJL-SPEDKVCISA-N 0 3 395.551 3.645 20 10 GHCDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccco1 ZINC000806846128 885021604 /nfs/dbraw/zinc/02/16/04/885021604.db2.gz DGBDSHLVBSKJCT-YLJYHZDGSA-N 0 3 382.508 3.584 20 10 GHCDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000153561875 886334149 /nfs/dbraw/zinc/33/41/49/886334149.db2.gz YLUPBAOHYCEDQB-QGZVFWFLSA-N 0 3 389.565 3.632 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1 ZINC001131319500 886393114 /nfs/dbraw/zinc/39/31/14/886393114.db2.gz PKBKVNHVRQBIIT-QFIPXVFZSA-N 0 3 395.547 3.810 20 10 GHCDHN COC(=O)c1cnc(C2CCN(Cc3cc(Cl)cc(C)c3O)CC2)s1 ZINC000862474746 886398425 /nfs/dbraw/zinc/39/84/25/886398425.db2.gz ZJCFYOGXQWGBJG-UHFFFAOYSA-N 0 3 380.897 3.977 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000862483281 886400527 /nfs/dbraw/zinc/40/05/27/886400527.db2.gz RXQIPGHDIWXPPI-IBGZPJMESA-N 0 3 392.293 3.647 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)c1[O-] ZINC000862521270 886425065 /nfs/dbraw/zinc/42/50/65/886425065.db2.gz WHIHQDFCRYHMSE-UHFFFAOYSA-N 0 3 384.904 3.518 20 10 GHCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000809686890 887706391 /nfs/dbraw/zinc/70/63/91/887706391.db2.gz OREJJTFXZBAAGI-HXUWFJFHSA-N 0 3 382.504 3.504 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000809717744 887740200 /nfs/dbraw/zinc/74/02/00/887740200.db2.gz AKPOXWUIQLFUBL-UHFFFAOYSA-N 0 3 397.313 3.710 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000809717744 887740215 /nfs/dbraw/zinc/74/02/15/887740215.db2.gz AKPOXWUIQLFUBL-UHFFFAOYSA-N 0 3 397.313 3.710 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000809758670 887799224 /nfs/dbraw/zinc/79/92/24/887799224.db2.gz SSAUVAOKISVJGY-UHFFFAOYSA-N 0 3 381.394 3.860 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000811512317 889704034 /nfs/dbraw/zinc/70/40/34/889704034.db2.gz LSIIZWOFVKVAQA-IEBWSBKVSA-N 0 3 376.294 3.719 20 10 GHCDHN COC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122551395 889901265 /nfs/dbraw/zinc/90/12/65/889901265.db2.gz ISFQICKIHIAHMU-UHFFFAOYSA-N 0 3 396.491 3.648 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)N(C)C)cc1 ZINC001134682195 893218996 /nfs/dbraw/zinc/21/89/96/893218996.db2.gz ZPWWMROEZPOYPH-HXUWFJFHSA-N 0 3 385.939 3.857 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)N(C)C)cc1 ZINC001134682194 893219367 /nfs/dbraw/zinc/21/93/67/893219367.db2.gz ZPWWMROEZPOYPH-FQEVSTJZSA-N 0 3 385.939 3.857 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(N4CCCCCC4)nc3)cc2)CC1 ZINC000876939099 893394627 /nfs/dbraw/zinc/39/46/27/893394627.db2.gz GBJYWZUPIJPLEA-UHFFFAOYSA-N 0 3 394.563 3.713 20 10 GHCDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881734 893463619 /nfs/dbraw/zinc/46/36/19/893463619.db2.gz FUGOSZAXEJHGSG-YWZLYKJASA-N 0 3 389.927 3.592 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000877728184 893778689 /nfs/dbraw/zinc/77/86/89/893778689.db2.gz BIKQGZLIQUQHQG-NRFANRHFSA-N 0 3 383.488 3.647 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000877827857 893836644 /nfs/dbraw/zinc/83/66/44/893836644.db2.gz WIKCOMMTYMMUCX-CQSZACIVSA-N 0 3 379.426 3.912 20 10 GHCDHN COC1CCN(c2ccc(CN[C@H](C)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 ZINC000879377432 895017959 /nfs/dbraw/zinc/01/79/59/895017959.db2.gz PVZSFSJEUWKXQE-OAHLLOKOSA-N 0 3 381.476 3.999 20 10 GHCDHN C[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1[O-] ZINC000879652297 895203905 /nfs/dbraw/zinc/20/39/05/895203905.db2.gz BUYVQARSBPETEA-QFBILLFUSA-N 0 3 396.487 3.568 20 10 GHCDHN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000816949839 895208785 /nfs/dbraw/zinc/20/87/85/895208785.db2.gz GKTZUBYLXHDZIV-HRAATJIYSA-N 0 3 377.492 3.944 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000817417238 895592363 /nfs/dbraw/zinc/59/23/63/895592363.db2.gz IHTZDIPMMOJLGD-UHFFFAOYSA-N 0 3 376.497 3.766 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCCCNC1)c1cc(Br)cc(Br)c1[O-] ZINC000817984313 895993409 /nfs/dbraw/zinc/99/34/09/895993409.db2.gz QBKGCXZICMSANM-MWLCHTKSSA-N 0 3 392.135 3.710 20 10 GHCDHN C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817984313 895993418 /nfs/dbraw/zinc/99/34/18/895993418.db2.gz QBKGCXZICMSANM-MWLCHTKSSA-N 0 3 392.135 3.710 20 10 GHCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)c1 ZINC000824608759 899720220 /nfs/dbraw/zinc/72/02/20/899720220.db2.gz PLWOCQZJKWXQDU-UHFFFAOYSA-N 0 3 377.872 3.564 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824952543 899903478 /nfs/dbraw/zinc/90/34/78/899903478.db2.gz CSFRORKFXFHESW-IRXDYDNUSA-N 0 3 377.282 3.868 20 10 GHCDHN CC(C)COc1ccccc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324765 900932767 /nfs/dbraw/zinc/93/27/67/900932767.db2.gz GGBZWBXBZYXPJZ-UHFFFAOYSA-N 0 3 395.547 3.713 20 10 GHCDHN COc1c([O-])c(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)ccc1[N+](=O)[O-] ZINC000775031199 914635691 /nfs/dbraw/zinc/63/56/91/914635691.db2.gz ZFEMQXSGXGOCQH-NSHDSACASA-N 0 3 385.203 3.839 20 10 GHCDHN Cc1cc(Cl)cc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)c1O ZINC000845993368 902609483 /nfs/dbraw/zinc/60/94/83/902609483.db2.gz YTODITVEMKWBCR-UHFFFAOYSA-N 0 3 387.911 3.792 20 10 GHCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1O ZINC000846155665 902725586 /nfs/dbraw/zinc/72/55/86/902725586.db2.gz BXRBUCUTOHVKFC-ZBEGNZNMSA-N 0 3 378.831 3.649 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1[O-] ZINC000779016682 902873809 /nfs/dbraw/zinc/87/38/09/902873809.db2.gz CQPWZFLNPAIXFI-LBPRGKRZSA-N 0 3 378.270 3.538 20 10 GHCDHN CCOc1ccc(C[NH2+]C(C)(C)COc2ncccc2Br)c([O-])c1 ZINC000772953149 903198138 /nfs/dbraw/zinc/19/81/38/903198138.db2.gz LCZDXFAISCIWKP-UHFFFAOYSA-N 0 3 395.297 3.896 20 10 GHCDHN CC(C)OCC[C@H](C)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001172459673 905575736 /nfs/dbraw/zinc/57/57/36/905575736.db2.gz KPYVGFSXRRKVHS-FQEVSTJZSA-N 0 3 383.536 3.986 20 10 GHCDHN CCOC(=O)c1csc(C2CCN(Cc3cc(OCC)ccc3O)CC2)n1 ZINC000192036381 907370751 /nfs/dbraw/zinc/37/07/51/907370751.db2.gz HAZATQXEKPEATN-UHFFFAOYSA-N 0 3 390.505 3.804 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439929 908163609 /nfs/dbraw/zinc/16/36/09/908163609.db2.gz RHSQELLTQZKXDW-SFHVURJKSA-N 0 3 380.257 3.696 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439929 908163618 /nfs/dbraw/zinc/16/36/18/908163618.db2.gz RHSQELLTQZKXDW-SFHVURJKSA-N 0 3 380.257 3.696 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000780065047 921448497 /nfs/dbraw/zinc/44/84/97/921448497.db2.gz PJDXNOTTXDPROX-XMMPIXPASA-N 0 3 387.527 3.942 20 10 GHCDHN COc1cc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC001182086518 911155614 /nfs/dbraw/zinc/15/56/14/911155614.db2.gz JJKMJMQCIKOYFK-REWPJTCUSA-N 0 3 387.495 3.998 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N(C)C)cc1 ZINC000774480456 911785590 /nfs/dbraw/zinc/78/55/90/911785590.db2.gz CCUICWAASRQUBP-OLZOCXBDSA-N 0 3 390.871 3.992 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H](F)c3ccccc3F)CC1)[C@@H](O)CO2 ZINC000795657129 911996642 /nfs/dbraw/zinc/99/66/42/911996642.db2.gz KXSXQTBWADXBLT-FPOVZHCZSA-N 0 3 375.415 3.880 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598419 919459687 /nfs/dbraw/zinc/45/96/87/919459687.db2.gz HEQXJXNZVAHYOM-VGOFRKELSA-N 0 3 397.494 3.509 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000800478348 920162895 /nfs/dbraw/zinc/16/28/95/920162895.db2.gz DTXHLHOOLJFZDD-QUCCMNQESA-N 0 3 378.944 3.949 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000800993063 920674349 /nfs/dbraw/zinc/67/43/49/920674349.db2.gz ILZGIALGDJKFER-AYBZRNKSSA-N 0 3 382.479 3.903 20 10 GHCDHN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000367569407 922207879 /nfs/dbraw/zinc/20/78/79/922207879.db2.gz HSOBFFUVHCAVLE-VGSWGCGISA-N 0 3 379.504 3.672 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000749161955 924055463 /nfs/dbraw/zinc/05/54/63/924055463.db2.gz NNMAUTWNNWIJLC-JOCHJYFZSA-N 0 3 394.563 3.798 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000752889909 929076952 /nfs/dbraw/zinc/07/69/52/929076952.db2.gz IIRFTITZYSMFFB-UHFFFAOYSA-N 0 3 388.581 3.868 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000757690521 929772474 /nfs/dbraw/zinc/77/24/74/929772474.db2.gz VVQHJQGRZZKSRV-SFHVURJKSA-N 0 3 397.910 3.585 20 10 GHCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800287 929804997 /nfs/dbraw/zinc/80/49/97/929804997.db2.gz YQENKOAWAZAGAM-VGSWGCGISA-N 0 3 396.535 3.540 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000781913026 931026705 /nfs/dbraw/zinc/02/67/05/931026705.db2.gz YEHDSZVPOOKJLX-KSSFIOAISA-N 0 3 379.342 3.912 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000781913026 931026708 /nfs/dbraw/zinc/02/67/08/931026708.db2.gz YEHDSZVPOOKJLX-KSSFIOAISA-N 0 3 379.342 3.912 20 10 GHCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(Br)cc(C)c3[O-])CC2)n[nH]1 ZINC000784056926 931769463 /nfs/dbraw/zinc/76/94/63/931769463.db2.gz RTRNWTOBXFCPJK-ZDUSSCGKSA-N 0 3 393.329 3.814 20 10 GHCDHN C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000797103014 932183910 /nfs/dbraw/zinc/18/39/10/932183910.db2.gz RIBHTYQWMBXOKV-MRXNPFEDSA-N 0 3 382.545 3.824 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CNC(=S)NC3CCN(C)CC3)cc2Cl)C1 ZINC000799898522 933157191 /nfs/dbraw/zinc/15/71/91/933157191.db2.gz QPVLXNGJWPGOKB-HNNXBMFYSA-N 0 3 395.016 3.635 20 10 GHCDHN COC(=O)c1cnc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)s1 ZINC001118942385 934289147 /nfs/dbraw/zinc/28/91/47/934289147.db2.gz QMWJTVGCNODRII-UHFFFAOYSA-N 0 3 385.533 3.910 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cncc(C(F)F)c2)N(C)C)cc1 ZINC000932234646 934856422 /nfs/dbraw/zinc/85/64/22/934856422.db2.gz ZOLLEGBEYBOQPZ-KRWDZBQOSA-N 0 3 377.439 3.510 20 10 GHCDHN CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137834662 935813573 /nfs/dbraw/zinc/81/35/73/935813573.db2.gz OOZCVYCZZCDBJM-MRXNPFEDSA-N 0 3 390.524 3.848 20 10 GHCDHN C[C@H]1CN(c2ccc(CNCc3ccc(C(C)(C)O)cc3)cc2F)C[C@H](C)O1 ZINC000830173249 935909311 /nfs/dbraw/zinc/90/93/11/935909311.db2.gz WYIHLDBNRRHUKG-IRXDYDNUSA-N 0 3 386.511 3.957 20 10 GHCDHN Cc1cc(N2CCN(Cc3ccc(N(C)C)c4ccccc34)CC2)nc(C)n1 ZINC001204240762 1032684973 /nfs/dbraw/zinc/68/49/73/1032684973.db2.gz CSJHKCKRUUHVRS-UHFFFAOYSA-N 0 3 375.520 3.635 20 10 GHCDHN O=C1NCc2ccccc2CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322624 1032767127 /nfs/dbraw/zinc/76/71/27/1032767127.db2.gz LOMRQPPVPWOOOB-UHFFFAOYSA-N 0 3 389.543 3.742 20 10 GHCDHN CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4cccc([O-])c43)CC2)cc1 ZINC000834538812 1021255678 /nfs/dbraw/zinc/25/56/78/1021255678.db2.gz ZKIYSEHAGRPGFR-FQEVSTJZSA-N 0 3 380.488 3.673 20 10 GHCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1c1ccc(OC(F)F)cc1 ZINC000834602322 1021302596 /nfs/dbraw/zinc/30/25/96/1021302596.db2.gz OUMAQPPMZWJCAB-SJORKVTESA-N 0 3 388.414 3.766 20 10 GHCDHN OC1CCN(c2ccc(CN3CC[C@H](Oc4cc(F)ccc4F)C3)cc2)CC1 ZINC001140286142 1021316958 /nfs/dbraw/zinc/31/69/58/1021316958.db2.gz KDIINZCEQBHBLA-FQEVSTJZSA-N 0 3 388.458 3.579 20 10 GHCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccc(C(F)(F)F)cc1 ZINC000834650547 1021343504 /nfs/dbraw/zinc/34/35/04/1021343504.db2.gz NPBQEJPJDOKRSI-CVEARBPZSA-N 0 3 376.378 3.793 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(Cl)c1 ZINC001140921445 1022886134 /nfs/dbraw/zinc/88/61/34/1022886134.db2.gz CZNYTMPSSUHZPC-IYBDPMFKSA-N 0 3 379.932 3.705 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001140952057 1022980027 /nfs/dbraw/zinc/98/00/27/1022980027.db2.gz CSKCOKAMQMBUKY-GHTZIAJQSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001140952057 1022980028 /nfs/dbraw/zinc/98/00/28/1022980028.db2.gz CSKCOKAMQMBUKY-GHTZIAJQSA-N 0 3 378.488 3.872 20 10 GHCDHN COC(=O)c1ccc(CC2CC[NH+](Cc3c([O-])cc(OC)cc3OC)CC2)cc1 ZINC001141032819 1023301207 /nfs/dbraw/zinc/30/12/07/1023301207.db2.gz OBIKKOZIKVLCJL-UHFFFAOYSA-N 0 3 399.487 3.651 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c2c1c(F)ccc2[O-] ZINC000756420973 1023639321 /nfs/dbraw/zinc/63/93/21/1023639321.db2.gz XPEKBSVMMJCGIF-ZXFNITATSA-N 0 3 385.483 3.878 20 10 GHCDHN C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000756432355 1023647127 /nfs/dbraw/zinc/64/71/27/1023647127.db2.gz QRMLQAPVFCPRDK-LJQANCHMSA-N 0 3 385.527 3.780 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756440434 1023651631 /nfs/dbraw/zinc/65/16/31/1023651631.db2.gz DFANEMGEQMAQTC-WMLDXEAASA-N 0 3 377.481 3.674 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000756509750 1023691572 /nfs/dbraw/zinc/69/15/72/1023691572.db2.gz DYNCLYFIANESQZ-AYOQOUSVSA-N 0 3 382.479 3.903 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000756509749 1023691622 /nfs/dbraw/zinc/69/16/22/1023691622.db2.gz DYNCLYFIANESQZ-ATZDWAIDSA-N 0 3 382.479 3.903 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756835581 1023829543 /nfs/dbraw/zinc/82/95/43/1023829543.db2.gz ORLJTESRZVPXTP-HFXUHXBXSA-N 0 3 384.495 3.696 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000756859351 1023837832 /nfs/dbraw/zinc/83/78/32/1023837832.db2.gz RBDLPSPEEPHHRH-QGZVFWFLSA-N 0 3 397.519 3.882 20 10 GHCDHN COC1CCN(c2ccc(CN3C[C@@H](c4ccccc4)[C@@](F)(CO)C3)cc2)CC1 ZINC000830738456 1024119013 /nfs/dbraw/zinc/11/90/13/1024119013.db2.gz FRWBAIGXYVGZMS-ZEQRLZLVSA-N 0 3 398.522 3.602 20 10 GHCDHN CCN(CC)c1ccc(CN2CC3(C2)CCN(Cc2cccnc2)C3)c(OC)c1 ZINC001138387221 1024759976 /nfs/dbraw/zinc/75/99/76/1024759976.db2.gz BVIRWPGXBIWVLJ-UHFFFAOYSA-N 0 3 394.563 3.644 20 10 GHCDHN Brc1cc(CN2CC[C@@H]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001138676916 1025203667 /nfs/dbraw/zinc/20/36/67/1025203667.db2.gz ZUKKNMHWRBKKPU-IRXDYDNUSA-N 0 3 379.342 3.908 20 10 GHCDHN CN(C)c1ccc([C@H](N)CNC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000832280173 1025403413 /nfs/dbraw/zinc/40/34/13/1025403413.db2.gz NQGKURYUCOXUDW-JOCHJYFZSA-N 0 3 389.499 3.685 20 10 GHCDHN COc1ccc([C@H](CO)C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000839183716 1025694968 /nfs/dbraw/zinc/69/49/68/1025694968.db2.gz APRDOTHSERLXAG-NRFANRHFSA-N 0 3 393.483 3.846 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000839187094 1025702788 /nfs/dbraw/zinc/70/27/88/1025702788.db2.gz QJPZBWDDCPYGGP-ARFHVFGLSA-N 0 3 376.497 3.526 20 10 GHCDHN COc1cc(O)c(CN2CCC(Oc3ccc(Cl)cn3)CC2)cc1OC ZINC000839191716 1025712324 /nfs/dbraw/zinc/71/23/24/1025712324.db2.gz DVEBOPSXGPCFEI-UHFFFAOYSA-N 0 3 378.856 3.501 20 10 GHCDHN CN1CCN(c2ccc(CN3CCSC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001139412354 1026285685 /nfs/dbraw/zinc/28/56/85/1026285685.db2.gz ICBZZSGIPWDLET-QFIPXVFZSA-N 0 3 385.552 3.868 20 10 GHCDHN CC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC001461086322 1069381246 /nfs/dbraw/zinc/38/12/46/1069381246.db2.gz CIHXHLHEXBQZEF-HXUWFJFHSA-N 0 3 393.487 3.952 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC001140056145 1026836049 /nfs/dbraw/zinc/83/60/49/1026836049.db2.gz JPKIVTBHUZWODS-UHFFFAOYSA-N 0 3 396.384 3.945 20 10 GHCDHN Cc1ccc(C)c(CN2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c1O ZINC001140180339 1026953295 /nfs/dbraw/zinc/95/32/95/1026953295.db2.gz VJMNCOJBSQMKIA-QHCPKHFHSA-N 0 3 393.487 3.759 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cc(F)ccc3F)CC1)[C@H](O)CO2 ZINC000840144762 1027276916 /nfs/dbraw/zinc/27/69/16/1027276916.db2.gz SPPKOKSTDSVHEB-HXUWFJFHSA-N 0 3 375.415 3.551 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552649 1027429974 /nfs/dbraw/zinc/42/99/74/1027429974.db2.gz PMMOSQWZKSQUKJ-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552649 1027429980 /nfs/dbraw/zinc/42/99/80/1027429980.db2.gz PMMOSQWZKSQUKJ-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552652 1027430472 /nfs/dbraw/zinc/43/04/72/1027430472.db2.gz PMMOSQWZKSQUKJ-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552652 1027430481 /nfs/dbraw/zinc/43/04/81/1027430481.db2.gz PMMOSQWZKSQUKJ-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001203628584 1027488789 /nfs/dbraw/zinc/48/87/89/1027488789.db2.gz BYJWVCYAEIGWIA-MTNREXPMSA-N 0 3 381.520 3.528 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001203628584 1027488798 /nfs/dbraw/zinc/48/87/98/1027488798.db2.gz BYJWVCYAEIGWIA-MTNREXPMSA-N 0 3 381.520 3.528 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)cc1 ZINC001203939906 1027734223 /nfs/dbraw/zinc/73/42/23/1027734223.db2.gz YJJFHZKFVNFCMG-QFIPXVFZSA-N 0 3 377.532 3.986 20 10 GHCDHN CC(C)(CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])S(C)(=O)=O ZINC000840875824 1027912649 /nfs/dbraw/zinc/91/26/49/1027912649.db2.gz IOWODANCDDOIFG-IBGZPJMESA-N 0 3 375.534 3.869 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000840912738 1027947476 /nfs/dbraw/zinc/94/74/76/1027947476.db2.gz UTGSRVREWVDVIC-UHFFFAOYSA-N 0 3 379.548 3.728 20 10 GHCDHN Cc1nc2ccc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)cc2[nH]1 ZINC001213075613 1027986538 /nfs/dbraw/zinc/98/65/38/1027986538.db2.gz XHCPNHORMJNVKI-UHFFFAOYSA-N 0 3 384.439 3.874 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1ccc(C(F)(F)F)cc1 ZINC000842927461 1029692252 /nfs/dbraw/zinc/69/22/52/1029692252.db2.gz PONMWENVPHQIRT-DOTOQJQBSA-N 0 3 392.421 3.593 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842927515 1029693065 /nfs/dbraw/zinc/69/30/65/1029693065.db2.gz RJHGQBAXDWSXGG-HOCLYGCPSA-N 0 3 394.437 3.975 20 10 GHCDHN Nc1ccc(N(C(=O)[C@H]2CNC[C@@H](F)C2)c2ccc3ccccc3c2N)cc1 ZINC001219471895 1031443161 /nfs/dbraw/zinc/44/31/61/1031443161.db2.gz WXIDKVSWYHTJIB-CVEARBPZSA-N 0 3 378.451 3.617 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001220212628 1031839007 /nfs/dbraw/zinc/83/90/07/1031839007.db2.gz QMTOUAJZAADMNU-DOTOQJQBSA-N 0 3 395.890 3.603 20 10 GHCDHN COC(=O)c1c(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c2cc(F)ccc2n1C ZINC001205270207 1033334927 /nfs/dbraw/zinc/33/49/27/1033334927.db2.gz UMVIEQAPENXKSG-MSOLQXFVSA-N 0 3 376.472 3.786 20 10 GHCDHN [NH3+]C[C@@]1(F)CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001205592725 1033484281 /nfs/dbraw/zinc/48/42/81/1033484281.db2.gz XOZOCEMTKRESOQ-CQSZACIVSA-N 0 3 399.226 3.826 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCCC[C@@]23CC(=O)N(CC(F)(F)F)C3)c1O ZINC001277437160 1033836662 /nfs/dbraw/zinc/83/66/62/1033836662.db2.gz LZNXMEPMFAUXAS-KRWDZBQOSA-N 0 3 390.833 3.873 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231449248 1034594855 /nfs/dbraw/zinc/59/48/55/1034594855.db2.gz HMJVDVUKRFXBRI-HXUWFJFHSA-N 0 3 384.476 3.560 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC001207825948 1034603269 /nfs/dbraw/zinc/60/32/69/1034603269.db2.gz DCZGTVGNBAQCDS-HOCLYGCPSA-N 0 3 384.467 3.962 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC001207825948 1034603273 /nfs/dbraw/zinc/60/32/73/1034603273.db2.gz DCZGTVGNBAQCDS-HOCLYGCPSA-N 0 3 384.467 3.962 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231469453 1034614305 /nfs/dbraw/zinc/61/43/05/1034614305.db2.gz DHBVNUMYXMFOSO-HXUWFJFHSA-N 0 3 375.415 3.971 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231469453 1034614312 /nfs/dbraw/zinc/61/43/12/1034614312.db2.gz DHBVNUMYXMFOSO-HXUWFJFHSA-N 0 3 375.415 3.971 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001231469486 1034614473 /nfs/dbraw/zinc/61/44/73/1034614473.db2.gz GHQHXMNSVDEPOZ-HDICACEKSA-N 0 3 375.415 3.685 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001231469486 1034614481 /nfs/dbraw/zinc/61/44/81/1034614481.db2.gz GHQHXMNSVDEPOZ-HDICACEKSA-N 0 3 375.415 3.685 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001231469988 1034615667 /nfs/dbraw/zinc/61/56/67/1034615667.db2.gz ZPNFMSMSVMOLEG-NRFANRHFSA-N 0 3 391.471 3.805 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001231469988 1034615672 /nfs/dbraw/zinc/61/56/72/1034615672.db2.gz ZPNFMSMSVMOLEG-NRFANRHFSA-N 0 3 391.471 3.805 20 10 GHCDHN O=C1[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2CN1Cc1cccc(F)c1 ZINC001231586444 1034737731 /nfs/dbraw/zinc/73/77/31/1034737731.db2.gz HUYBSOLTPNKBTI-GHTZIAJQSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2CN1Cc1cccc(F)c1 ZINC001231586444 1034737748 /nfs/dbraw/zinc/73/77/48/1034737748.db2.gz HUYBSOLTPNKBTI-GHTZIAJQSA-N 0 3 390.458 3.775 20 10 GHCDHN CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC001231587516 1034738814 /nfs/dbraw/zinc/73/88/14/1034738814.db2.gz DNDSPBUHQGYDIZ-QGZVFWFLSA-N 0 3 386.492 3.661 20 10 GHCDHN CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231587414 1034740166 /nfs/dbraw/zinc/74/01/66/1034740166.db2.gz CGVFEKXHRVTNKD-NRFANRHFSA-N 0 3 396.531 3.642 20 10 GHCDHN Cc1cc(C)c(CN2CCCn3cnc(COc4cccnc4)c3C2)c(O)c1 ZINC001231843902 1034937758 /nfs/dbraw/zinc/93/77/58/1034937758.db2.gz BTWCHOTZUHUCBX-UHFFFAOYSA-N 0 3 378.476 3.585 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001231849743 1034940871 /nfs/dbraw/zinc/94/08/71/1034940871.db2.gz YAZJPGNWHDWIMV-KRWDZBQOSA-N 0 3 391.556 3.840 20 10 GHCDHN C[C@@H]1CCc2nnc(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3[O-])cc2C1 ZINC001160624542 1035020068 /nfs/dbraw/zinc/02/00/68/1035020068.db2.gz RICGSMZKSPVNNK-BQKRCXSJSA-N 0 3 390.487 3.866 20 10 GHCDHN COc1cc(I)cc(CN2CCC(C)(C)CC2)c1O ZINC001248401233 1035814745 /nfs/dbraw/zinc/81/47/45/1035814745.db2.gz SNSBGUFRFVULDD-UHFFFAOYSA-N 0 3 375.250 3.627 20 10 GHCDHN CN(C)c1ccc(C[N@H+](C)Cc2ccc([O-])c(I)c2)cc1 ZINC001232874071 1038643617 /nfs/dbraw/zinc/64/36/17/1038643617.db2.gz JLMMFQDEWCSFFI-UHFFFAOYSA-N 0 3 396.272 3.695 20 10 GHCDHN CN(C)c1ccc(C[N@@H+](C)Cc2ccc([O-])c(I)c2)cc1 ZINC001232874071 1038643619 /nfs/dbraw/zinc/64/36/19/1038643619.db2.gz JLMMFQDEWCSFFI-UHFFFAOYSA-N 0 3 396.272 3.695 20 10 GHCDHN COc1ccnc(O[C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)c1 ZINC001233110706 1038901082 /nfs/dbraw/zinc/90/10/82/1038901082.db2.gz IJWMGSZKXJOZCJ-INIZCTEOSA-N 0 3 393.281 3.520 20 10 GHCDHN CN1C[C@H]2CCC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)[C@@H]2C1 ZINC001233195056 1038961775 /nfs/dbraw/zinc/96/17/75/1038961775.db2.gz DIKDLTOAIXOVJO-RDTXWAMCSA-N 0 3 375.310 3.834 20 10 GHCDHN CN1C[C@H]2CCC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)[C@@H]2C1 ZINC001233195056 1038961779 /nfs/dbraw/zinc/96/17/79/1038961779.db2.gz DIKDLTOAIXOVJO-RDTXWAMCSA-N 0 3 375.310 3.834 20 10 GHCDHN CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290546 1039073440 /nfs/dbraw/zinc/07/34/40/1039073440.db2.gz JDGZDKZGHIMHNZ-MRXNPFEDSA-N 0 3 387.904 3.625 20 10 GHCDHN CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290546 1039073453 /nfs/dbraw/zinc/07/34/53/1039073453.db2.gz JDGZDKZGHIMHNZ-MRXNPFEDSA-N 0 3 387.904 3.625 20 10 GHCDHN CO[C@@H](CN1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1)c1ccccc1 ZINC001233454738 1039343966 /nfs/dbraw/zinc/34/39/66/1039343966.db2.gz IRJXMVDETMOZRB-FQEVSTJZSA-N 0 3 394.437 3.916 20 10 GHCDHN Oc1cc(O)c(CN2CCC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC001233485059 1039380586 /nfs/dbraw/zinc/38/05/86/1039380586.db2.gz HDSYSAULDHEPPI-HNNXBMFYSA-N 0 3 383.366 3.866 20 10 GHCDHN COCC(C)(C)N1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC001462369642 1070206075 /nfs/dbraw/zinc/20/60/75/1070206075.db2.gz SRNWMEGMSCOIMD-UHFFFAOYSA-N 0 3 387.593 3.927 20 10 GHCDHN CC(C)(C)OC(=O)O[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727641 1039572037 /nfs/dbraw/zinc/57/20/37/1039572037.db2.gz NSKGUQZVLUNXJN-LBPRGKRZSA-N 0 3 377.359 3.817 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001233744995 1039584929 /nfs/dbraw/zinc/58/49/29/1039584929.db2.gz BQEISFDIHYJTGW-YJBOKZPZSA-N 0 3 386.414 3.656 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001233744995 1039584945 /nfs/dbraw/zinc/58/49/45/1039584945.db2.gz BQEISFDIHYJTGW-YJBOKZPZSA-N 0 3 386.414 3.656 20 10 GHCDHN [O-]c1c(C[N@H+](Cc2cccnc2)C2CCOCC2)cccc1OC(F)(F)F ZINC001233761381 1039596053 /nfs/dbraw/zinc/59/60/53/1039596053.db2.gz UHTPXESQRYEKCF-UHFFFAOYSA-N 0 3 382.382 3.867 20 10 GHCDHN [O-]c1c(C[N@@H+](Cc2cccnc2)C2CCOCC2)cccc1OC(F)(F)F ZINC001233761381 1039596070 /nfs/dbraw/zinc/59/60/70/1039596070.db2.gz UHTPXESQRYEKCF-UHFFFAOYSA-N 0 3 382.382 3.867 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1c1ccccc1 ZINC001233775742 1039605716 /nfs/dbraw/zinc/60/57/16/1039605716.db2.gz BLWFAMCKNYORJY-JKSUJKDBSA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1c1ccccc1 ZINC001233775742 1039605722 /nfs/dbraw/zinc/60/57/22/1039605722.db2.gz BLWFAMCKNYORJY-JKSUJKDBSA-N 0 3 395.377 3.679 20 10 GHCDHN O=C(COC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1)N1CCCC1 ZINC001234998596 1040491737 /nfs/dbraw/zinc/49/17/37/1040491737.db2.gz GWHGFRXWKJFIFM-UHFFFAOYSA-N 0 3 394.515 3.663 20 10 GHCDHN [O-]c1cccc(Br)c1CN1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235076780 1040564709 /nfs/dbraw/zinc/56/47/09/1040564709.db2.gz SFQZWRNWGCBSLI-CQSZACIVSA-N 0 3 393.247 3.804 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c([O-])c1 ZINC001235680185 1041143985 /nfs/dbraw/zinc/14/39/85/1041143985.db2.gz SVLRJDDQCJZATJ-ROUUACIJSA-N 0 3 384.545 3.955 20 10 GHCDHN C[C@H]1c2c(F)cccc2CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236520 1041670480 /nfs/dbraw/zinc/67/04/80/1041670480.db2.gz HKCVFETWYLYTEY-HRAATJIYSA-N 0 3 398.526 3.823 20 10 GHCDHN Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001256236679 1041670692 /nfs/dbraw/zinc/67/06/92/1041670692.db2.gz JYLBLFYMODHVOG-CVDCTZTESA-N 0 3 396.579 3.936 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c([O-])c1 ZINC001236786454 1041892168 /nfs/dbraw/zinc/89/21/68/1041892168.db2.gz DOMOZMGDGMZISY-HSZRJFAPSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c([O-])c1 ZINC001236786454 1041892174 /nfs/dbraw/zinc/89/21/74/1041892174.db2.gz DOMOZMGDGMZISY-HSZRJFAPSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[N@H+](CCCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786569 1041892830 /nfs/dbraw/zinc/89/28/30/1041892830.db2.gz CWYJEIDTEVGWPS-IBGZPJMESA-N 0 3 392.540 3.803 20 10 GHCDHN CCc1ccc(C[N@@H+](CCCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786569 1041892836 /nfs/dbraw/zinc/89/28/36/1041892836.db2.gz CWYJEIDTEVGWPS-IBGZPJMESA-N 0 3 392.540 3.803 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001236788914 1041893838 /nfs/dbraw/zinc/89/38/38/1041893838.db2.gz XAJGGSDQWSDRAE-QZNHQXDQSA-N 0 3 382.504 3.688 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001236788914 1041893852 /nfs/dbraw/zinc/89/38/52/1041893852.db2.gz XAJGGSDQWSDRAE-QZNHQXDQSA-N 0 3 382.504 3.688 20 10 GHCDHN COc1ccc(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c([O-])c1Cl ZINC001236801815 1041903816 /nfs/dbraw/zinc/90/38/16/1041903816.db2.gz MGMPLGOCTKXBNA-OALUTQOASA-N 0 3 386.923 3.926 20 10 GHCDHN COc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)c([O-])c1Cl ZINC001236801815 1041903819 /nfs/dbraw/zinc/90/38/19/1041903819.db2.gz MGMPLGOCTKXBNA-OALUTQOASA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c([O-])c1 ZINC001236810739 1041910272 /nfs/dbraw/zinc/91/02/72/1041910272.db2.gz JIINQWKWDYCWRW-XXBNENTESA-N 0 3 382.504 3.923 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c([O-])c1 ZINC001236810739 1041910276 /nfs/dbraw/zinc/91/02/76/1041910276.db2.gz JIINQWKWDYCWRW-XXBNENTESA-N 0 3 382.504 3.923 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c([O-])c1 ZINC001236810443 1041910410 /nfs/dbraw/zinc/91/04/10/1041910410.db2.gz XRNAWGZGALVKER-UHFFFAOYSA-N 0 3 394.515 3.838 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001236811171 1041911542 /nfs/dbraw/zinc/91/15/42/1041911542.db2.gz MIZMJTBJSDADMN-DEOSSOPVSA-N 0 3 394.515 3.856 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001236811171 1041911544 /nfs/dbraw/zinc/91/15/44/1041911544.db2.gz MIZMJTBJSDADMN-DEOSSOPVSA-N 0 3 394.515 3.856 20 10 GHCDHN CCC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236812648 1041912264 /nfs/dbraw/zinc/91/22/64/1041912264.db2.gz CROUSGULQNBUSK-INIZCTEOSA-N 0 3 378.513 3.931 20 10 GHCDHN CCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236812648 1041912270 /nfs/dbraw/zinc/91/22/70/1041912270.db2.gz CROUSGULQNBUSK-INIZCTEOSA-N 0 3 378.513 3.931 20 10 GHCDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236835107 1041922954 /nfs/dbraw/zinc/92/29/54/1041922954.db2.gz IJYMAPLGSJJCNA-ICSRJNTNSA-N 0 3 386.492 3.612 20 10 GHCDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236835107 1041922958 /nfs/dbraw/zinc/92/29/58/1041922958.db2.gz IJYMAPLGSJJCNA-ICSRJNTNSA-N 0 3 386.492 3.612 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c([O-])c1 ZINC001237044302 1042004229 /nfs/dbraw/zinc/00/42/29/1042004229.db2.gz YFUBPTDJWYQLLP-UHFFFAOYSA-N 0 3 394.515 3.919 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237047105 1042006802 /nfs/dbraw/zinc/00/68/02/1042006802.db2.gz RLPQWHDAGHDDHS-WBVHZDCISA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237047105 1042006808 /nfs/dbraw/zinc/00/68/08/1042006808.db2.gz RLPQWHDAGHDDHS-WBVHZDCISA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001237050143 1042009178 /nfs/dbraw/zinc/00/91/78/1042009178.db2.gz QHUDVRXDNLQLAU-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001237050143 1042009184 /nfs/dbraw/zinc/00/91/84/1042009184.db2.gz QHUDVRXDNLQLAU-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H](C)O)cc1 ZINC001237119087 1042047272 /nfs/dbraw/zinc/04/72/72/1042047272.db2.gz DHUYMHWQNVEUKS-CQSZACIVSA-N 0 3 399.409 3.725 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H](C)O)cc1 ZINC001237119087 1042047282 /nfs/dbraw/zinc/04/72/82/1042047282.db2.gz DHUYMHWQNVEUKS-CQSZACIVSA-N 0 3 399.409 3.725 20 10 GHCDHN O=S1(=O)CCN(c2ccc(CN3CCC[C@@H](c4ccccc4)CC3)cc2)CC1 ZINC001237211070 1042091867 /nfs/dbraw/zinc/09/18/67/1042091867.db2.gz ZIOVOXUXSWYJHJ-JOCHJYFZSA-N 0 3 398.572 3.691 20 10 GHCDHN Cc1nccnc1O[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237650386 1042303652 /nfs/dbraw/zinc/30/36/52/1042303652.db2.gz RFQOVQIXVPLEIM-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1nccnc1O[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237650386 1042303662 /nfs/dbraw/zinc/30/36/62/1042303662.db2.gz RFQOVQIXVPLEIM-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN CCOC(=O)CCCN(Cc1ccccc1)Cc1cc(OC)cc(OC)c1O ZINC001237682570 1042324175 /nfs/dbraw/zinc/32/41/75/1042324175.db2.gz BIMRUXBBVPSDCQ-UHFFFAOYSA-N 0 3 387.476 3.755 20 10 GHCDHN C[C@@H](Cc1ccncc1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001256749094 1043647729 /nfs/dbraw/zinc/64/77/29/1043647729.db2.gz ATUMCXUEIGJRFB-FQEVSTJZSA-N 0 3 388.515 3.809 20 10 GHCDHN O=[N+]([O-])c1cc(CNCc2ccc(C3OCCO3)cc2)ccc1N1CCCCC1 ZINC000740898440 1044198778 /nfs/dbraw/zinc/19/87/78/1044198778.db2.gz PCVOOSJYJBVKNM-UHFFFAOYSA-N 0 3 397.475 3.920 20 10 GHCDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C[C@H]1N(C)C ZINC001295851399 1045167900 /nfs/dbraw/zinc/16/79/00/1045167900.db2.gz GWTSUGXYTMOVSE-NHCUHLMSSA-N 0 3 385.577 3.829 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2c(Cl)c3ccccc3n2C)N(C)C)cc1 ZINC001304768002 1047763453 /nfs/dbraw/zinc/76/34/53/1047763453.db2.gz JNBLEBCLURCLCR-IBGZPJMESA-N 0 3 398.938 3.930 20 10 GHCDHN COc1cc([O-])c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc1Br ZINC001279705997 1047924816 /nfs/dbraw/zinc/92/48/16/1047924816.db2.gz HONCAWWXKFUBLH-IRXDYDNUSA-N 0 3 395.341 3.755 20 10 GHCDHN COc1cc([O-])c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)cc1Br ZINC001279705997 1047924823 /nfs/dbraw/zinc/92/48/23/1047924823.db2.gz HONCAWWXKFUBLH-IRXDYDNUSA-N 0 3 395.341 3.755 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CSc2ccc3c(c2)CCC3)N(C)C)cc1 ZINC001463285588 1070963002 /nfs/dbraw/zinc/96/30/02/1070963002.db2.gz UZGTUYGDHIZGCV-JOCHJYFZSA-N 0 3 397.588 3.753 20 10 GHCDHN COc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)cc1Cn1cccn1 ZINC001308286164 1049938206 /nfs/dbraw/zinc/93/82/06/1049938206.db2.gz XGJLNLBEZUJETR-SFHVURJKSA-N 0 3 389.858 3.556 20 10 GHCDHN COC1(OC)CCOC[C@@H]1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001308507445 1049993131 /nfs/dbraw/zinc/99/31/31/1049993131.db2.gz KORIIFDOBMPIPU-SFHVURJKSA-N 0 3 379.541 3.855 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001308717830 1050070176 /nfs/dbraw/zinc/07/01/76/1050070176.db2.gz KJBXZCBRNSHPGU-INIZCTEOSA-N 0 3 378.513 3.836 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001308717830 1050070180 /nfs/dbraw/zinc/07/01/80/1050070180.db2.gz KJBXZCBRNSHPGU-INIZCTEOSA-N 0 3 378.513 3.836 20 10 GHCDHN CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC001308721230 1050071622 /nfs/dbraw/zinc/07/16/22/1050071622.db2.gz QNMTVQFDXBPTTC-UHFFFAOYSA-N 0 3 398.322 3.547 20 10 GHCDHN O=C1[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCN1C1CCCCC1 ZINC001308878818 1050136280 /nfs/dbraw/zinc/13/62/80/1050136280.db2.gz MRFGRKQJHLVQPT-QFIPXVFZSA-N 0 3 394.515 3.994 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(C(C)(F)F)cc3)cc2F)CC1 ZINC001330333978 1050999754 /nfs/dbraw/zinc/99/97/54/1050999754.db2.gz JTOGLCAMVSGJRR-UHFFFAOYSA-N 0 3 377.454 3.979 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001311446457 1052156209 /nfs/dbraw/zinc/15/62/09/1052156209.db2.gz DZDQOGZMXFWNPL-OFNKIYASSA-N 0 3 394.563 3.775 20 10 GHCDHN CCCN1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001318187566 1054483225 /nfs/dbraw/zinc/48/32/25/1054483225.db2.gz MGBVNFTZSBORFM-LJQANCHMSA-N 0 3 395.494 3.638 20 10 GHCDHN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001319715729 1055418762 /nfs/dbraw/zinc/41/87/62/1055418762.db2.gz KKTMFDFRPMJZIX-FQEVSTJZSA-N 0 3 382.483 3.822 20 10 GHCDHN Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001319822323 1055490053 /nfs/dbraw/zinc/49/00/53/1055490053.db2.gz BJPGJFDFUYZTBL-OAHLLOKOSA-N 0 3 376.545 3.844 20 10 GHCDHN COc1ccc(N2CCC(N[C@H](c3cnn(C)c3)c3ccccc3)CC2)cc1 ZINC001320092869 1055651266 /nfs/dbraw/zinc/65/12/66/1055651266.db2.gz WTTHIXFELDUQFV-QHCPKHFHSA-N 0 3 376.504 3.777 20 10 GHCDHN CCc1nc2cc(NC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)ccc2o1 ZINC001200711927 1056791963 /nfs/dbraw/zinc/79/19/63/1056791963.db2.gz AZQINZPXHZLCKT-LJQANCHMSA-N 0 3 395.507 3.881 20 10 GHCDHN CC(C)N1CCN(c2ccc(C(=O)Nc3c4nonc4ccc3Cl)cc2)CC1 ZINC001323484068 1056975882 /nfs/dbraw/zinc/97/58/82/1056975882.db2.gz SXQZVORAUUPJSF-UHFFFAOYSA-N 0 3 399.882 3.659 20 10 GHCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c2c(n1)CCCC2 ZINC001355237147 1057092753 /nfs/dbraw/zinc/09/27/53/1057092753.db2.gz GCRJNYBECPEBSZ-UHFFFAOYSA-N 0 3 383.511 3.659 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)c1[O-] ZINC000848525690 1057149518 /nfs/dbraw/zinc/14/95/18/1057149518.db2.gz SJBARTDVCNHICR-NEPJUHHUSA-N 0 3 382.302 3.655 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000848549784 1057171716 /nfs/dbraw/zinc/17/17/16/1057171716.db2.gz UGCNXWRKBCTRQH-LBPRGKRZSA-N 0 3 384.314 3.757 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001439960917 1058368265 /nfs/dbraw/zinc/36/82/65/1058368265.db2.gz OQAJQQCKPFAINK-NZQKXSOJSA-N 0 3 379.548 3.982 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)c(Cl)c2N)N(C)C)cc1 ZINC001456930564 1062921803 /nfs/dbraw/zinc/92/18/03/1062921803.db2.gz ILQJIDAPVWUSCK-INIZCTEOSA-N 0 3 395.334 3.674 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)N(C)C)cc1 ZINC001466230202 1066045656 /nfs/dbraw/zinc/04/56/56/1066045656.db2.gz SFSRTXYHXQRCGX-CVEARBPZSA-N 0 3 388.478 3.632 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)cc(Cl)c3N)c2)CC1 ZINC001466650091 1066233717 /nfs/dbraw/zinc/23/37/17/1066233717.db2.gz ITSBZVPDHMSPEA-UHFFFAOYSA-N 0 3 390.890 3.844 20 10 GHCDHN Cc1cc(Br)c(O)c(CNc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000849352281 1067817858 /nfs/dbraw/zinc/81/78/58/1067817858.db2.gz KCCLLNAOLBSBEM-QGZVFWFLSA-N 0 3 377.282 3.736 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc1 ZINC001469854561 1068429843 /nfs/dbraw/zinc/42/98/43/1068429843.db2.gz SOVJAUHBLRXTMM-GHTZIAJQSA-N 0 3 380.536 3.696 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](c3cccc(F)c3)C2)N(C)C)cc1 ZINC001471547941 1073126599 /nfs/dbraw/zinc/12/65/99/1073126599.db2.gz QBIMYUZSHDDNKE-UGKGYDQZSA-N 0 3 398.526 3.694 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001474621268 1074488364 /nfs/dbraw/zinc/48/83/64/1074488364.db2.gz DUZKIRWTMTXSFM-AWEZNQCLSA-N 0 3 385.302 3.562 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)OCc2cccc(Cl)c2)N(C)C)cc1 ZINC001475766574 1075017175 /nfs/dbraw/zinc/01/71/75/1075017175.db2.gz UGJBIGZSUCABJY-LJQANCHMSA-N 0 3 375.900 3.935 20 10 GHCDHN CC[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000155320838 836801978 /nfs/dbraw/zinc/80/19/78/836801978.db2.gz BPAOMURLGFESFX-KRWDZBQOSA-N 0 3 376.522 3.710 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCCO1 ZINC000759848280 840161995 /nfs/dbraw/zinc/16/19/95/840161995.db2.gz AMIAEZZWTGLAEK-OXJNMPFZSA-N 0 3 379.859 3.899 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCCO1 ZINC000759848280 840161999 /nfs/dbraw/zinc/16/19/99/840161999.db2.gz AMIAEZZWTGLAEK-OXJNMPFZSA-N 0 3 379.859 3.899 20 10 GHCDHN CCOc1cccc(CNCc2cccc(C(=O)NCc3ccco3)c2)c1O ZINC000236917317 844624234 /nfs/dbraw/zinc/62/42/34/844624234.db2.gz PSWSYYOTDBIAHJ-UHFFFAOYSA-N 0 3 380.444 3.604 20 10 GHCDHN COc1ccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000125387016 841501105 /nfs/dbraw/zinc/50/11/05/841501105.db2.gz ULUOVTLYEYOKID-YCRPNKLZSA-N 0 3 390.911 3.569 20 10 GHCDHN COc1ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569129 843169800 /nfs/dbraw/zinc/16/98/00/843169800.db2.gz YYRIUFMIVZRPRY-HKUYNNGSSA-N 0 3 375.440 3.901 20 10 GHCDHN COc1ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569129 843169807 /nfs/dbraw/zinc/16/98/07/843169807.db2.gz YYRIUFMIVZRPRY-HKUYNNGSSA-N 0 3 375.440 3.901 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000472287056 849924846 /nfs/dbraw/zinc/92/48/46/849924846.db2.gz OCXUBHRWKGZHEC-FQEVSTJZSA-N 0 3 390.531 3.903 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000732204993 862144961 /nfs/dbraw/zinc/14/49/61/862144961.db2.gz WXJZORZGGOMREW-UHFFFAOYSA-N 0 3 382.460 3.547 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000732204993 862144964 /nfs/dbraw/zinc/14/49/64/862144964.db2.gz WXJZORZGGOMREW-UHFFFAOYSA-N 0 3 382.460 3.547 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c2c1c(F)ccc2[O-] ZINC000760029242 853786998 /nfs/dbraw/zinc/78/69/98/853786998.db2.gz MWHUDEKFKASYNI-IINYFYTJSA-N 0 3 383.872 3.926 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)c1[O-] ZINC000761206589 859121685 /nfs/dbraw/zinc/12/16/85/859121685.db2.gz LTNUXKKALMKSMQ-UHFFFAOYSA-N 0 3 382.932 3.567 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 ZINC000765244829 859862829 /nfs/dbraw/zinc/86/28/29/859862829.db2.gz OCGXGUIMCXWBNX-ZFWWWQNUSA-N 0 3 377.941 3.954 20 10 GHCDHN CCc1nc(C)c([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000765245153 859863902 /nfs/dbraw/zinc/86/39/02/859863902.db2.gz OHKUMHLQNKASPH-WMLDXEAASA-N 0 3 386.565 3.566 20 10 GHCDHN C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765641374 860369938 /nfs/dbraw/zinc/36/99/38/860369938.db2.gz PICLWSACAJNIGA-HNNXBMFYSA-N 0 3 397.947 3.694 20 10 GHCDHN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)N1CCCCCC1 ZINC000733892507 863313377 /nfs/dbraw/zinc/31/33/77/863313377.db2.gz GOLSDQIFOGTIQZ-UGKGYDQZSA-N 0 3 387.568 3.525 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000840759769 863822877 /nfs/dbraw/zinc/82/28/77/863822877.db2.gz MYZMOEXAXMOOEZ-YVEFUNNKSA-N 0 3 392.421 3.984 20 10 GHCDHN CN(C)c1ccc([C@H](CNCc2csc(-c3ccccn3)n2)N(C)C)cc1 ZINC000898451727 863866733 /nfs/dbraw/zinc/86/67/33/863866733.db2.gz ORPSKZXYTKAGHS-FQEVSTJZSA-N 0 3 381.549 3.664 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cc2c(cc1O)CCCC2 ZINC000184865258 864992439 /nfs/dbraw/zinc/99/24/39/864992439.db2.gz ZUOXNMLKEUCFBK-LLVKDONJSA-N 0 3 378.394 3.978 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)ccc1[O-] ZINC000184891493 865026982 /nfs/dbraw/zinc/02/69/82/865026982.db2.gz BFWYDLXFBFCWCD-OAHLLOKOSA-N 0 3 392.496 3.557 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 ZINC000736347573 865186344 /nfs/dbraw/zinc/18/63/44/865186344.db2.gz FJSDXIKVWAFLMK-SFHVURJKSA-N 0 3 391.494 3.793 20 10 GHCDHN CCCOc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000121316757 866476913 /nfs/dbraw/zinc/47/69/13/866476913.db2.gz CTNYQMZATGJGOJ-UHFFFAOYSA-N 0 3 384.520 3.953 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000742392564 867258083 /nfs/dbraw/zinc/25/80/83/867258083.db2.gz QUILDNXOGSAKGO-YMPZKCBVSA-N 0 3 377.532 3.779 20 10 GHCDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1C ZINC000742378655 867271745 /nfs/dbraw/zinc/27/17/45/867271745.db2.gz IXQXMUZRYQZISI-GOSISDBHSA-N 0 3 390.430 3.890 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](CN1CCOCC1)c1ccccc1C ZINC000479451374 867783167 /nfs/dbraw/zinc/78/31/67/867783167.db2.gz GDZFZFOYQACVBK-QFIPXVFZSA-N 0 3 377.532 3.958 20 10 GHCDHN CC1(C)CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@]2(CCOC2)O1 ZINC000793365244 882130521 /nfs/dbraw/zinc/13/05/21/882130521.db2.gz JJSOWLDWIWGNKR-QHCPKHFHSA-N 0 3 383.488 3.741 20 10 GHCDHN CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@]2(CCOC2)O1 ZINC000793365244 882130533 /nfs/dbraw/zinc/13/05/33/882130533.db2.gz JJSOWLDWIWGNKR-QHCPKHFHSA-N 0 3 383.488 3.741 20 10 GHCDHN CC1(C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@]2(CCOC2)O1 ZINC000793365244 882130547 /nfs/dbraw/zinc/13/05/47/882130547.db2.gz JJSOWLDWIWGNKR-QHCPKHFHSA-N 0 3 383.488 3.741 20 10 GHCDHN COc1ccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(O)c1 ZINC000793390835 882165508 /nfs/dbraw/zinc/16/55/08/882165508.db2.gz RWABUHDSQPCHQR-UHFFFAOYSA-N 0 3 384.388 3.867 20 10 GHCDHN COc1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c([O-])c1 ZINC000793390835 882165516 /nfs/dbraw/zinc/16/55/16/882165516.db2.gz RWABUHDSQPCHQR-UHFFFAOYSA-N 0 3 384.388 3.867 20 10 GHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000744402250 868810772 /nfs/dbraw/zinc/81/07/72/868810772.db2.gz LDHHKRGZNLAJGP-IBGZPJMESA-N 0 3 390.430 3.680 20 10 GHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000744402250 868810785 /nfs/dbraw/zinc/81/07/85/868810785.db2.gz LDHHKRGZNLAJGP-IBGZPJMESA-N 0 3 390.430 3.680 20 10 GHCDHN Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(O)c1 ZINC000793562470 882273549 /nfs/dbraw/zinc/27/35/49/882273549.db2.gz VCDWPEVJKUYCOI-LBPRGKRZSA-N 0 3 387.423 3.974 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000745240089 869405872 /nfs/dbraw/zinc/40/58/72/869405872.db2.gz XXHXKGUWJMFZDX-QFIPXVFZSA-N 0 3 393.531 3.907 20 10 GHCDHN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000181375375 870940694 /nfs/dbraw/zinc/94/06/94/870940694.db2.gz VDOGMJCPEYUWTA-XLIONFOSSA-N 0 3 393.597 3.859 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1[O-] ZINC000775649382 872323278 /nfs/dbraw/zinc/32/32/78/872323278.db2.gz PUIFICTVTLOMSG-UHFFFAOYSA-N 0 3 376.859 3.888 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1O ZINC000775649382 872323291 /nfs/dbraw/zinc/32/32/91/872323291.db2.gz PUIFICTVTLOMSG-UHFFFAOYSA-N 0 3 376.859 3.888 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000767727678 872791880 /nfs/dbraw/zinc/79/18/80/872791880.db2.gz MNQRPFYXVKUIOR-OAHLLOKOSA-N 0 3 378.266 3.516 20 10 GHCDHN COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000768162614 873124431 /nfs/dbraw/zinc/12/44/31/873124431.db2.gz SBPJXFYHAUQPDS-DYESRHJHSA-N 0 3 399.487 3.514 20 10 GHCDHN COC(=O)[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000768162614 873124435 /nfs/dbraw/zinc/12/44/35/873124435.db2.gz SBPJXFYHAUQPDS-DYESRHJHSA-N 0 3 399.487 3.514 20 10 GHCDHN CN(CCOc1ccccc1Cl)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768213318 873168510 /nfs/dbraw/zinc/16/85/10/873168510.db2.gz QGMGGWOLWHADSA-UHFFFAOYSA-N 0 3 378.875 3.827 20 10 GHCDHN CC[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439818 873303114 /nfs/dbraw/zinc/30/31/14/873303114.db2.gz KNWYPPXBPVDDOG-QGZVFWFLSA-N 0 3 378.266 3.603 20 10 GHCDHN CC[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439818 873303127 /nfs/dbraw/zinc/30/31/27/873303127.db2.gz KNWYPPXBPVDDOG-QGZVFWFLSA-N 0 3 378.266 3.603 20 10 GHCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c1 ZINC000775737584 873328095 /nfs/dbraw/zinc/32/80/95/873328095.db2.gz QRISRPUGHUWXCI-OAQYLSRUSA-N 0 3 390.483 3.948 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000768925383 873694341 /nfs/dbraw/zinc/69/43/41/873694341.db2.gz BTWPGZPFIPZYHP-HSZRJFAPSA-N 0 3 392.547 3.703 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528000983 873869735 /nfs/dbraw/zinc/86/97/35/873869735.db2.gz TZVVCHQICVFFOH-ZBEGNZNMSA-N 0 3 375.266 3.677 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000769206528 873889939 /nfs/dbraw/zinc/88/99/39/873889939.db2.gz OVAKDTTVLDJVMU-HNNXBMFYSA-N 0 3 387.455 3.574 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000769206528 873889954 /nfs/dbraw/zinc/88/99/54/873889954.db2.gz OVAKDTTVLDJVMU-HNNXBMFYSA-N 0 3 387.455 3.574 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)ccc3N3CCCC3)c2)CC1 ZINC000770146965 874499305 /nfs/dbraw/zinc/49/93/05/874499305.db2.gz JQFMPWRRHBCDKG-UHFFFAOYSA-N 0 3 392.547 3.989 20 10 GHCDHN Cc1cc([O-])c(C[NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)c(Cl)c1 ZINC001199190023 874844939 /nfs/dbraw/zinc/84/49/39/874844939.db2.gz RAZCFLCGTGYZAK-NRFANRHFSA-N 0 3 387.955 3.822 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1Oc1ccccc1 ZINC000776009899 875124915 /nfs/dbraw/zinc/12/49/15/875124915.db2.gz YXIODDJZIDSSTA-POAQFYNOSA-N 0 3 377.868 3.769 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000776051044 875284035 /nfs/dbraw/zinc/28/40/35/875284035.db2.gz ZYHGUXKNMKWWHE-CQSZACIVSA-N 0 3 382.273 3.543 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3nc4c(s3)CCC4)C2)cc1 ZINC000771842468 875481432 /nfs/dbraw/zinc/48/14/32/875481432.db2.gz NYMZXBFDRYBEPG-ZDUSSCGKSA-N 0 3 379.476 3.992 20 10 GHCDHN Cc1noc([C@H]2OCC[C@H]2NCc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000858328383 883029985 /nfs/dbraw/zinc/02/99/85/883029985.db2.gz LEVAXFRYEZENKM-MOPGFXCFSA-N 0 3 384.505 3.696 20 10 GHCDHN CCc1cccc2cc(CNCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)oc21 ZINC000850059722 876634015 /nfs/dbraw/zinc/63/40/15/876634015.db2.gz NPOPRTDZUNZPCD-FQEVSTJZSA-N 0 3 391.515 3.987 20 10 GHCDHN Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850137122 876691664 /nfs/dbraw/zinc/69/16/64/876691664.db2.gz JEUUZZNPUGBDLR-GOSISDBHSA-N 0 3 388.943 3.801 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccc1OC(C)C ZINC000850404693 876885697 /nfs/dbraw/zinc/88/56/97/876885697.db2.gz DDTLJEJGNNUICQ-UHFFFAOYSA-N 0 3 384.520 3.733 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000746724905 877797883 /nfs/dbraw/zinc/79/78/83/877797883.db2.gz SIHCBDRMADIESV-QFBILLFUSA-N 0 3 384.499 3.526 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000179646065 877799137 /nfs/dbraw/zinc/79/91/37/877799137.db2.gz XXQNWLRAEVFGPD-COPCDDAFSA-N 0 3 385.504 3.512 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000179646065 877799151 /nfs/dbraw/zinc/79/91/51/877799151.db2.gz XXQNWLRAEVFGPD-COPCDDAFSA-N 0 3 385.504 3.512 20 10 GHCDHN COc1ccc(O)c(CNCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 ZINC000179671284 877815037 /nfs/dbraw/zinc/81/50/37/877815037.db2.gz YYGRUUPZKAPNLV-UHFFFAOYSA-N 0 3 390.483 3.929 20 10 GHCDHN O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093594258 912356481 /nfs/dbraw/zinc/35/64/81/912356481.db2.gz WLEURDXTDKGARA-HXUWFJFHSA-N 0 3 382.479 3.757 20 10 GHCDHN C[C@@H]1OCC[C@@]12CN(Cc1ccc(OCc3ccccc3)cc1O)C[C@@H](C)O2 ZINC000790930693 880069727 /nfs/dbraw/zinc/06/97/27/880069727.db2.gz BVEXUQFLRPHYDL-IEGUWTFLSA-N 0 3 383.488 3.740 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000772797906 881186111 /nfs/dbraw/zinc/18/61/11/881186111.db2.gz JVDHGWPESIRYFI-QGZVFWFLSA-N 0 3 383.492 3.958 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000772797906 881186123 /nfs/dbraw/zinc/18/61/23/881186123.db2.gz JVDHGWPESIRYFI-QGZVFWFLSA-N 0 3 383.492 3.958 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001183573812 912653577 /nfs/dbraw/zinc/65/35/77/912653577.db2.gz IFVUIAMCLVYOTO-MRXNPFEDSA-N 0 3 395.890 3.732 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183573812 912653588 /nfs/dbraw/zinc/65/35/88/912653588.db2.gz IFVUIAMCLVYOTO-MRXNPFEDSA-N 0 3 395.890 3.732 20 10 GHCDHN Cc1cc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000858541809 883184642 /nfs/dbraw/zinc/18/46/42/883184642.db2.gz DNRIBYJDSCYANW-KRWDZBQOSA-N 0 3 397.544 3.901 20 10 GHCDHN COc1ccc([C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C2CC2)cn1 ZINC000858603707 883226459 /nfs/dbraw/zinc/22/64/59/883226459.db2.gz GIEKBVAKTLQLDT-NYHFZMIOSA-N 0 3 385.483 3.868 20 10 GHCDHN CN(Cc1ccccc1O)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000859189175 883647422 /nfs/dbraw/zinc/64/74/22/883647422.db2.gz OGRMRALQQGILKI-INIZCTEOSA-N 0 3 375.266 3.540 20 10 GHCDHN CCc1ccc2c(CN(C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000153231908 884220284 /nfs/dbraw/zinc/22/02/84/884220284.db2.gz HKPPSXZLTAXWJS-UHFFFAOYSA-N 0 3 392.499 3.824 20 10 GHCDHN C[C@@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806172707 884394097 /nfs/dbraw/zinc/39/40/97/884394097.db2.gz RKXCWVNUBWBNGB-IIBYNOLFSA-N 0 3 389.490 3.755 20 10 GHCDHN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](c1ccccc1)N(C)C ZINC000806634461 884887723 /nfs/dbraw/zinc/88/77/23/884887723.db2.gz HVOBVMMXCXCDQU-JTSKRJEESA-N 0 3 380.536 3.560 20 10 GHCDHN CSCC[C@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N(C)C ZINC000806661666 884920910 /nfs/dbraw/zinc/92/09/10/884920910.db2.gz BOLNNGYDJWECIF-QAPCUYQASA-N 0 3 381.561 3.677 20 10 GHCDHN CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])c1ccccc1 ZINC000795848839 912908056 /nfs/dbraw/zinc/90/80/56/912908056.db2.gz AFAPSWZBEQREAA-DYVFJYSZSA-N 0 3 391.309 3.991 20 10 GHCDHN COC(=O)Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000862446698 886389444 /nfs/dbraw/zinc/38/94/44/886389444.db2.gz HLNAFCBEDLXOMN-UHFFFAOYSA-N 0 3 397.475 3.590 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1[O-] ZINC000808717663 886700559 /nfs/dbraw/zinc/70/05/59/886700559.db2.gz KNEXNUIWCDWYMM-HNNXBMFYSA-N 0 3 381.925 3.662 20 10 GHCDHN COC(=O)c1cc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1C ZINC000809661464 887685065 /nfs/dbraw/zinc/68/50/65/887685065.db2.gz FPFQAQMCPCFWDF-HNNXBMFYSA-N 0 3 389.927 3.991 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000809689334 887708447 /nfs/dbraw/zinc/70/84/47/887708447.db2.gz XVGWVLJQLVGBAO-UHFFFAOYSA-N 0 3 395.253 3.746 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000809689334 887708449 /nfs/dbraw/zinc/70/84/49/887708449.db2.gz XVGWVLJQLVGBAO-UHFFFAOYSA-N 0 3 395.253 3.746 20 10 GHCDHN COCCCN(Cc1ccncc1)Cc1cc(Br)cc(OC)c1O ZINC000809740653 887774375 /nfs/dbraw/zinc/77/43/75/887774375.db2.gz HNVRLAPVYSFULS-UHFFFAOYSA-N 0 3 395.297 3.597 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758099 887801670 /nfs/dbraw/zinc/80/16/70/887801670.db2.gz CJPKMTWPHDJBLZ-ZIAGYGMSSA-N 0 3 384.314 3.802 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758099 887801676 /nfs/dbraw/zinc/80/16/76/887801676.db2.gz CJPKMTWPHDJBLZ-ZIAGYGMSSA-N 0 3 384.314 3.802 20 10 GHCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210418 888323003 /nfs/dbraw/zinc/32/30/03/888323003.db2.gz UMGWJUGZUPQJMG-QZTJIDSGSA-N 0 3 387.490 3.724 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811801228 889983429 /nfs/dbraw/zinc/98/34/29/889983429.db2.gz GTXCWDCKVRARKK-HNNXBMFYSA-N 0 3 385.851 3.629 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811801228 889983443 /nfs/dbraw/zinc/98/34/43/889983443.db2.gz GTXCWDCKVRARKK-HNNXBMFYSA-N 0 3 385.851 3.629 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccc(CC)cc1)C(C)C)cc2=O ZINC000917058498 890857306 /nfs/dbraw/zinc/85/73/06/890857306.db2.gz MLDXZAPIALHCAZ-HXUWFJFHSA-N 0 3 396.491 3.661 20 10 GHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Br)cc1OCCCO ZINC000812783746 890961821 /nfs/dbraw/zinc/96/18/21/890961821.db2.gz DIZQKUTZIZAQIA-LBPRGKRZSA-N 0 3 398.272 3.906 20 10 GHCDHN COc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1Cn1cccn1 ZINC000873008346 891423500 /nfs/dbraw/zinc/42/35/00/891423500.db2.gz JPVWOEMTGPPXBJ-MRXNPFEDSA-N 0 3 378.476 3.749 20 10 GHCDHN COc1ccc([C@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001134686355 893199657 /nfs/dbraw/zinc/19/96/57/893199657.db2.gz IDHNBBTZJHROLX-VGOFRKELSA-N 0 3 383.536 3.674 20 10 GHCDHN COc1ccc(C2(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CCC2)cc1 ZINC001134681846 893218161 /nfs/dbraw/zinc/21/81/61/893218161.db2.gz KCMRPBNFUKPNPW-JOCHJYFZSA-N 0 3 395.547 3.602 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)c1cc(Br)no1 ZINC000877923062 893895494 /nfs/dbraw/zinc/89/54/94/893895494.db2.gz ZFTCKWPUFRBHJP-INIZCTEOSA-N 0 3 394.313 3.593 20 10 GHCDHN NC(=O)COc1cccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])c1 ZINC000815584857 894023066 /nfs/dbraw/zinc/02/30/66/894023066.db2.gz QTAOVTXBALJLJN-JOCHJYFZSA-N 0 3 390.483 3.720 20 10 GHCDHN COc1cc2c(cc1Cl)CN(Cc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC000816664733 895011239 /nfs/dbraw/zinc/01/12/39/895011239.db2.gz CNOIUZVMJZTNNC-UHFFFAOYSA-N 0 3 385.939 3.659 20 10 GHCDHN COC1CCN(c2ccc(CN[C@@H](C)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 ZINC000879377431 895017635 /nfs/dbraw/zinc/01/76/35/895017635.db2.gz PVZSFSJEUWKXQE-HNNXBMFYSA-N 0 3 381.476 3.999 20 10 GHCDHN CC[NH2+][C@H](C)CN[C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971483 895989779 /nfs/dbraw/zinc/98/97/79/895989779.db2.gz DKQYLPHHIQQHDF-RKDXNWHRSA-N 0 3 380.124 3.566 20 10 GHCDHN CCN[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971483 895989792 /nfs/dbraw/zinc/98/97/92/895989792.db2.gz DKQYLPHHIQQHDF-RKDXNWHRSA-N 0 3 380.124 3.566 20 10 GHCDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818221911 896086528 /nfs/dbraw/zinc/08/65/28/896086528.db2.gz VEYOGXOFKPXTHI-MRXNPFEDSA-N 0 3 385.464 3.618 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3csc(-c4ccccn4)n3)C2)cc1 ZINC000818221327 896086942 /nfs/dbraw/zinc/08/69/42/896086942.db2.gz QSQMJEINAYJJAW-MRXNPFEDSA-N 0 3 380.517 3.830 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000822515947 898447314 /nfs/dbraw/zinc/44/73/14/898447314.db2.gz FXRUKZMYTQAZOH-SFHVURJKSA-N 0 3 380.282 3.503 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000822515947 898447317 /nfs/dbraw/zinc/44/73/17/898447317.db2.gz FXRUKZMYTQAZOH-SFHVURJKSA-N 0 3 380.282 3.503 20 10 GHCDHN COc1cc(F)cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000823666957 899177123 /nfs/dbraw/zinc/17/71/23/899177123.db2.gz WNSNNPVGSSNLOX-UHFFFAOYSA-N 0 3 398.400 3.980 20 10 GHCDHN CN(C)c1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(C(F)(F)F)c1 ZINC000824620360 899742955 /nfs/dbraw/zinc/74/29/55/899742955.db2.gz LNBKPZBERWWMQW-GOEBONIOSA-N 0 3 391.437 3.552 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000886325400 900935726 /nfs/dbraw/zinc/93/57/26/900935726.db2.gz DSBULTCPZVJFAQ-UHFFFAOYSA-N 0 3 392.330 3.985 20 10 GHCDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746941 901250997 /nfs/dbraw/zinc/25/09/97/901250997.db2.gz GOPJZNXGVDYXKP-QGZVFWFLSA-N 0 3 381.520 3.556 20 10 GHCDHN C[C@H]1CN(c2ccc(C[NH2+]Cc3cc(-c4ccccc4)ccc3[O-])cn2)CCO1 ZINC000263724959 902439167 /nfs/dbraw/zinc/43/91/67/902439167.db2.gz XDIFWHYMZSXIGS-SFHVURJKSA-N 0 3 389.499 3.969 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1[O-] ZINC000779004468 902729272 /nfs/dbraw/zinc/72/92/72/902729272.db2.gz XFDWTXPDMLJQFP-ZDUSSCGKSA-N 0 3 378.314 3.889 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846216137 902791828 /nfs/dbraw/zinc/79/18/28/902791828.db2.gz QACCAAPKOFMSFT-LRDDRELGSA-N 0 3 391.309 3.890 20 10 GHCDHN COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779053577 903565645 /nfs/dbraw/zinc/56/56/45/903565645.db2.gz FWIMFXXIWUAAQP-OLZOCXBDSA-N 0 3 399.329 3.981 20 10 GHCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000151557336 904156325 /nfs/dbraw/zinc/15/63/25/904156325.db2.gz JAEWZOTVYJYMAZ-QGZVFWFLSA-N 0 3 381.520 3.705 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000773042995 904395024 /nfs/dbraw/zinc/39/50/24/904395024.db2.gz RZIMAMBVUWJKDQ-ZHRRBRCNSA-N 0 3 397.519 3.616 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000178266586 906318487 /nfs/dbraw/zinc/31/84/87/906318487.db2.gz XAIFZNNSNFONGZ-HOTGVXAUSA-N 0 3 386.467 3.845 20 10 GHCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185165958 907724857 /nfs/dbraw/zinc/72/48/57/907724857.db2.gz SEQMDMLFDRFHIB-QGZVFWFLSA-N 0 3 376.504 3.543 20 10 GHCDHN CCCC(=O)Nc1cccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001177290292 908497925 /nfs/dbraw/zinc/49/79/25/908497925.db2.gz QCRKCDRECUOEGF-UHFFFAOYSA-N 0 3 398.526 3.606 20 10 GHCDHN COc1cc(CN[C@@H]2CCN(c3ccccc3F)C2=O)c(O)c(C(C)(C)C)c1 ZINC001177800267 908761642 /nfs/dbraw/zinc/76/16/42/908761642.db2.gz WSYGKIPNCBWCIM-GOSISDBHSA-N 0 3 386.467 3.733 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cn3ccnc3s2)C1 ZINC001177811080 908765580 /nfs/dbraw/zinc/76/55/80/908765580.db2.gz QUYGZQZDGGRLRC-HNNXBMFYSA-N 0 3 376.913 3.509 20 10 GHCDHN COc1ccc(F)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001177811118 908766102 /nfs/dbraw/zinc/76/61/02/908766102.db2.gz SMBJUEXPPSNSIH-QGZVFWFLSA-N 0 3 378.875 3.948 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268762237 910003765 /nfs/dbraw/zinc/00/37/65/910003765.db2.gz HTSYSGMGDPOTEQ-GOSISDBHSA-N 0 3 398.526 3.898 20 10 GHCDHN COc1cc(C)cc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1O ZINC000795633339 911498710 /nfs/dbraw/zinc/49/87/10/911498710.db2.gz FRPNTCIAGLUPAF-NRFANRHFSA-N 0 3 396.531 3.813 20 10 GHCDHN COc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)cc1Cl ZINC001188492576 916009303 /nfs/dbraw/zinc/00/93/03/916009303.db2.gz RUVYAHFVMFCNTP-UHFFFAOYSA-N 0 3 389.883 3.840 20 10 GHCDHN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257370 916685530 /nfs/dbraw/zinc/68/55/30/916685530.db2.gz IPDXAJPVVWQYGE-RBUKOAKNSA-N 0 3 375.557 3.505 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000775376370 917273009 /nfs/dbraw/zinc/27/30/09/917273009.db2.gz VLUABFINIGFCFI-CYBMUJFWSA-N 0 3 383.473 3.814 20 10 GHCDHN O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796499298 917862426 /nfs/dbraw/zinc/86/24/26/917862426.db2.gz KECVROAMWNHSOD-UHFFFAOYSA-N 0 3 386.451 3.835 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CCc2cccc3[nH]ccc32)c1[O-] ZINC000800301163 919876533 /nfs/dbraw/zinc/87/65/33/919876533.db2.gz SIYIGVXBHLYKKF-UHFFFAOYSA-N 0 3 375.266 3.977 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccnc(C)c4)C3)C2)cc1 ZINC001137410140 925472488 /nfs/dbraw/zinc/47/24/88/925472488.db2.gz WBEOFKJEWNFCIK-HSZRJFAPSA-N 0 3 381.520 3.518 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000749572388 927194412 /nfs/dbraw/zinc/19/44/12/927194412.db2.gz KQALHRWZMQSFRW-UHFFFAOYSA-N 0 3 394.563 3.867 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000753572728 929426306 /nfs/dbraw/zinc/42/63/06/929426306.db2.gz XAYPPZFCYGFGMW-HXUWFJFHSA-N 0 3 383.488 3.789 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCCN3C3CC3)ccc21 ZINC000470178041 930436170 /nfs/dbraw/zinc/43/61/70/930436170.db2.gz WIYFSMWKTVDRAH-HXUWFJFHSA-N 0 3 383.536 3.651 20 10 GHCDHN C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000797113465 932187665 /nfs/dbraw/zinc/18/76/65/932187665.db2.gz NCDPPAAGRKTDPD-VQIMIIECSA-N 0 3 385.474 3.591 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1coc2ccccc21 ZINC000926878292 932334547 /nfs/dbraw/zinc/33/45/47/932334547.db2.gz QVOOZTHFTFQNHX-INIZCTEOSA-N 0 3 377.488 3.985 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000798928700 932820165 /nfs/dbraw/zinc/82/01/65/932820165.db2.gz CVFJNZPHIXZUKS-JOCHJYFZSA-N 0 3 386.490 3.743 20 10 GHCDHN Cc1ccc(CN2CCOC3(CC[NH+](Cc4c([O-])cccc4F)CC3)C2)cc1 ZINC001137835350 935814693 /nfs/dbraw/zinc/81/46/93/935814693.db2.gz FAVGEBPVNUMCBM-UHFFFAOYSA-N 0 3 384.495 3.707 20 10 GHCDHN CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001227357726 1032386908 /nfs/dbraw/zinc/38/69/08/1032386908.db2.gz XMVIFHCTSWRYMG-HSZRJFAPSA-N 0 3 394.563 3.867 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)c3cccnc3)C2)c2ccccc21 ZINC001204240048 1032683110 /nfs/dbraw/zinc/68/31/10/1032683110.db2.gz GWHXAGPIIYKHCC-HXUWFJFHSA-N 0 3 388.515 3.695 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204277332 1032719690 /nfs/dbraw/zinc/71/96/90/1032719690.db2.gz ZSLJHSOGCALZGU-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204277332 1032719702 /nfs/dbraw/zinc/71/97/02/1032719702.db2.gz ZSLJHSOGCALZGU-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c([O-])c1 ZINC000778113040 1018615051 /nfs/dbraw/zinc/61/50/51/1018615051.db2.gz KYZZUFJNWFFWIN-KRWDZBQOSA-N 0 3 395.286 3.993 20 10 GHCDHN O=C(NCCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(Br)cc1 ZINC000834558880 1021270967 /nfs/dbraw/zinc/27/09/67/1021270967.db2.gz RGXSKAWDNSXNJB-INIZCTEOSA-N 0 3 389.293 3.552 20 10 GHCDHN COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2ccccc2[O-])cc1Br ZINC000834898424 1021644415 /nfs/dbraw/zinc/64/44/15/1021644415.db2.gz CVODTAMVIBCUDO-HIFRSBDPSA-N 0 3 394.309 3.665 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)CC2 ZINC000834901511 1021649632 /nfs/dbraw/zinc/64/96/32/1021649632.db2.gz BCPNUIVXJADEKI-SUMWQHHRSA-N 0 3 394.284 3.722 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC(n2ncc3ccccc32)CC1 ZINC001140663771 1022204051 /nfs/dbraw/zinc/20/40/51/1022204051.db2.gz OVXXBUURQIHLMC-UHFFFAOYSA-N 0 3 394.494 3.849 20 10 GHCDHN CCOc1ccccc1N1CCN(Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140850195 1022695418 /nfs/dbraw/zinc/69/54/18/1022695418.db2.gz GGCMUBSLDZSZAS-UHFFFAOYSA-N 0 3 383.536 3.959 20 10 GHCDHN COc1ccc(CCN(Cc2ccc(N(C)C)cc2Cl)C[C@H](C)O)cc1 ZINC001140921267 1022886773 /nfs/dbraw/zinc/88/67/73/1022886773.db2.gz AFYLUURTQJHCFS-INIZCTEOSA-N 0 3 376.928 3.840 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c(Cl)c1 ZINC001140922211 1022889612 /nfs/dbraw/zinc/88/96/12/1022889612.db2.gz KOIWTLNNNLZMDR-QGZVFWFLSA-N 0 3 386.927 3.735 20 10 GHCDHN O[C@@]1(C(F)(F)F)CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1F ZINC001141074497 1023433104 /nfs/dbraw/zinc/43/31/04/1023433104.db2.gz JYVRCWHSQOQIHY-MJGOQNOKSA-N 0 3 386.433 3.613 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000756482974 1023679257 /nfs/dbraw/zinc/67/92/57/1023679257.db2.gz LNCNTTZWXXVNPP-OAHLLOKOSA-N 0 3 396.578 3.952 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)c([O-])c1 ZINC000756525656 1023698179 /nfs/dbraw/zinc/69/81/79/1023698179.db2.gz KDUILALPXYHLFF-AWEZNQCLSA-N 0 3 391.309 3.934 20 10 GHCDHN c1cncc(O[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)[C@H]3CCCO[C@H]23)c1 ZINC001138216928 1024385749 /nfs/dbraw/zinc/38/57/49/1024385749.db2.gz PPUVQHISRMPKFN-HJOGWXRNSA-N 0 3 393.531 3.883 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3CCCN4)c2)CC1 ZINC000831489748 1024598441 /nfs/dbraw/zinc/59/84/41/1024598441.db2.gz BTSZYIMCAIINJC-UHFFFAOYSA-N 0 3 378.520 3.827 20 10 GHCDHN CN1CCCc2cc(CN3CCC(NC(=O)c4cccc(F)c4)CC3)ccc21 ZINC001138359129 1024722446 /nfs/dbraw/zinc/72/24/46/1024722446.db2.gz LOOMCHIVHWCPSC-UHFFFAOYSA-N 0 3 381.495 3.603 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c(OC)c1 ZINC001138387637 1024761799 /nfs/dbraw/zinc/76/17/99/1024761799.db2.gz KGJOBPAFRXGZML-DEOSSOPVSA-N 0 3 399.579 3.766 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(-c4cnco4)c3)c2)CC1 ZINC000832345720 1025464998 /nfs/dbraw/zinc/46/49/98/1025464998.db2.gz MNJCGZTWSZXNCE-UHFFFAOYSA-N 0 3 376.460 3.736 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000839538346 1026027380 /nfs/dbraw/zinc/02/73/80/1026027380.db2.gz AKFPMOPWXHBTMS-QGZVFWFLSA-N 0 3 394.471 3.873 20 10 GHCDHN Fc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OCC(F)(F)F ZINC001461101986 1069389926 /nfs/dbraw/zinc/38/99/26/1069389926.db2.gz YTTTUYLFUBFIAQ-UHFFFAOYSA-N 0 3 398.400 3.893 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccccc3C(C)(C)O)CC2)cc1 ZINC001164329713 1026486507 /nfs/dbraw/zinc/48/65/07/1026486507.db2.gz DRYLQQUBRCZNCI-UHFFFAOYSA-N 0 3 383.536 3.547 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cc(C)c4[nH]ccc4n3)CC2)cc1 ZINC001164335360 1026489643 /nfs/dbraw/zinc/48/96/43/1026489643.db2.gz BBVQXVUYPJYKFY-UHFFFAOYSA-N 0 3 379.508 3.504 20 10 GHCDHN COc1ccc2c(c1)c1c(n2C)CCN(c2ccc(CN(C)C3CC3)cn2)C1 ZINC001165093548 1026602473 /nfs/dbraw/zinc/60/24/73/1026602473.db2.gz JKAANPMZNXQMLA-UHFFFAOYSA-N 0 3 376.504 3.739 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)Oc2ccccc21 ZINC001140055638 1026835303 /nfs/dbraw/zinc/83/53/03/1026835303.db2.gz NUJVUJMNQDJELT-INIZCTEOSA-N 0 3 398.478 3.568 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4cc(F)ccc4[O-])C3)C2=O)cc1 ZINC001140063628 1026842700 /nfs/dbraw/zinc/84/27/00/1026842700.db2.gz UDTROJWPRUHQGM-HSZRJFAPSA-N 0 3 398.478 3.555 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(CCC[N@@H+](Cc4cc(F)ccc4[O-])C3)C2=O)cc1 ZINC001140063628 1026842709 /nfs/dbraw/zinc/84/27/09/1026842709.db2.gz UDTROJWPRUHQGM-HSZRJFAPSA-N 0 3 398.478 3.555 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3c(F)cccc3F)CC1)[C@@H](O)CO2 ZINC000840142665 1027273565 /nfs/dbraw/zinc/27/35/65/1027273565.db2.gz GKTAYELPUGSOJP-FQEVSTJZSA-N 0 3 375.415 3.551 20 10 GHCDHN FC(F)(F)c1nc(CNCCCSc2nccs2)c2n1CCCC2 ZINC001461231981 1069454637 /nfs/dbraw/zinc/45/46/37/1069454637.db2.gz MDSHEJZLUYRWTE-UHFFFAOYSA-N 0 3 376.473 3.967 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc3ccc(Br)cn3n2)CC1 ZINC001203551543 1027429797 /nfs/dbraw/zinc/42/97/97/1027429797.db2.gz HPGSEFIQUBNZDR-UHFFFAOYSA-N 0 3 387.281 3.577 20 10 GHCDHN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203555516 1027432519 /nfs/dbraw/zinc/43/25/19/1027432519.db2.gz BPDMSWMELAKOTB-NRFANRHFSA-N 0 3 393.531 3.950 20 10 GHCDHN CCOc1cccc(CN2CCC(Oc3cnc4ccccc4n3)CC2)c1O ZINC001203615246 1027477799 /nfs/dbraw/zinc/47/77/99/1027477799.db2.gz OSWIFUOMTHTUJN-UHFFFAOYSA-N 0 3 379.460 3.778 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)c([O-])c1 ZINC001203628567 1027488541 /nfs/dbraw/zinc/48/85/41/1027488541.db2.gz BRMFWFNQUMGBTD-UHFFFAOYSA-N 0 3 380.488 3.610 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001203635023 1027492752 /nfs/dbraw/zinc/49/27/52/1027492752.db2.gz GKRCXXLWGOKKGW-SFHVURJKSA-N 0 3 376.497 3.670 20 10 GHCDHN COc1ccc(O)c(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001203680043 1027527102 /nfs/dbraw/zinc/52/71/02/1027527102.db2.gz AMMOOFWDVMGFNN-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)cc1 ZINC001203938422 1027732391 /nfs/dbraw/zinc/73/23/91/1027732391.db2.gz CZJZRHLTGHMJIS-XZOQPEGZSA-N 0 3 392.547 3.612 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccccc1[O-] ZINC000179899738 1028830909 /nfs/dbraw/zinc/83/09/09/1028830909.db2.gz SUFJTGJJKJZJTI-LRDDRELGSA-N 0 3 380.366 3.747 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cn(C)nc3-c3ccc(C)o3)CC2)cc1 ZINC000843393119 1029960840 /nfs/dbraw/zinc/96/08/40/1029960840.db2.gz WBSLYMMVMAICHC-UHFFFAOYSA-N 0 3 380.492 3.709 20 10 GHCDHN CC1=CC(=O)C=C(O[C@H]2CC[C@@H]3NCCO[C@H]32)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001218151161 1030797956 /nfs/dbraw/zinc/79/79/56/1030797956.db2.gz WBBGXHCBTOKSLA-NOSUIXNZSA-N 0 3 398.419 3.922 20 10 GHCDHN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001218581220 1030994131 /nfs/dbraw/zinc/99/41/31/1030994131.db2.gz IIXIZCRCINATEK-OZGHVIQHSA-N 0 3 386.459 3.710 20 10 GHCDHN CO[C@@H]1CCN[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)C1 ZINC001219203638 1031303304 /nfs/dbraw/zinc/30/33/04/1031303304.db2.gz KYOBGXKIMBBZMO-FEXYSFOSSA-N 0 3 379.504 3.629 20 10 GHCDHN [NH3+][C@H](CC(=O)NCCc1cccc(Oc2ccccc2)c1)c1ccccc1[O-] ZINC001219906935 1031684830 /nfs/dbraw/zinc/68/48/30/1031684830.db2.gz XPYABXZULNBUOS-OAQYLSRUSA-N 0 3 376.456 3.933 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001220212453 1031838069 /nfs/dbraw/zinc/83/80/69/1031838069.db2.gz KCOCQRCHPMUMSC-KXBFYZLASA-N 0 3 395.890 3.746 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001220676799 1032057051 /nfs/dbraw/zinc/05/70/51/1032057051.db2.gz FBEXOFCQALEDKX-PGRDOPGGSA-N 0 3 382.552 3.594 20 10 GHCDHN Cc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229541940 1033548643 /nfs/dbraw/zinc/54/86/43/1033548643.db2.gz IUMSUBAVWYEDRF-SHTZXODSSA-N 0 3 379.456 3.728 20 10 GHCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC001231554075 1034706617 /nfs/dbraw/zinc/70/66/17/1034706617.db2.gz HSESFIZCABDTDU-CYBMUJFWSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC001231554075 1034706632 /nfs/dbraw/zinc/70/66/32/1034706632.db2.gz HSESFIZCABDTDU-CYBMUJFWSA-N 0 3 377.282 3.938 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001231589259 1034743469 /nfs/dbraw/zinc/74/34/69/1034743469.db2.gz ZYELEAOLDSKLAK-SBUREZEXSA-N 0 3 394.446 3.892 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001231589259 1034743482 /nfs/dbraw/zinc/74/34/82/1034743482.db2.gz ZYELEAOLDSKLAK-SBUREZEXSA-N 0 3 394.446 3.892 20 10 GHCDHN Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2c(C)cc(C)cc2O)cs1 ZINC001231845095 1034939776 /nfs/dbraw/zinc/93/97/76/1034939776.db2.gz USDVQZQDYWBJEI-CEWLAPEOSA-N 0 3 388.533 3.723 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]1C ZINC001231849750 1034941496 /nfs/dbraw/zinc/94/14/96/1034941496.db2.gz YEKJTASIXBXOMI-DLBZAZTESA-N 0 3 391.556 3.886 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001461987550 1069930936 /nfs/dbraw/zinc/93/09/36/1069930936.db2.gz AOWNESZGIKGUMD-KFKAGJAMSA-N 0 3 390.524 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001461987550 1069930943 /nfs/dbraw/zinc/93/09/43/1069930943.db2.gz AOWNESZGIKGUMD-KFKAGJAMSA-N 0 3 390.524 3.834 20 10 GHCDHN [O-]c1c(Cl)cccc1C[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001462018067 1069948555 /nfs/dbraw/zinc/94/85/55/1069948555.db2.gz CWEQHTCOSQEUJF-UHFFFAOYSA-N 0 3 381.303 3.896 20 10 GHCDHN C[C@@H]1[C@@H](C)N(Cc2ccc(N3CCCCC3)c(Br)c2)CCN1C ZINC001462122994 1070013661 /nfs/dbraw/zinc/01/36/61/1070013661.db2.gz CHGAPIOIHUYQRQ-HZPDHXFCSA-N 0 3 380.374 3.964 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cc(F)ccc4N)C3)C2)cc1 ZINC001232509381 1038278933 /nfs/dbraw/zinc/27/89/33/1038278933.db2.gz WHTOKSKUIVUXIT-HSZRJFAPSA-N 0 3 399.510 3.536 20 10 GHCDHN CN(C)c1ccc(CN2CCN(c3ccccc3C(F)(F)F)CC2)c(O)c1 ZINC001232841403 1038592488 /nfs/dbraw/zinc/59/24/88/1038592488.db2.gz FFHHZTQQVWYZJR-UHFFFAOYSA-N 0 3 379.426 3.799 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109114 1038898627 /nfs/dbraw/zinc/89/86/27/1038898627.db2.gz UFCYEMKJGLEYCV-WMLDXEAASA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109114 1038898644 /nfs/dbraw/zinc/89/86/44/1038898644.db2.gz UFCYEMKJGLEYCV-WMLDXEAASA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233111036 1038901910 /nfs/dbraw/zinc/90/19/10/1038901910.db2.gz YMBGVPAWWDQSET-HNNXBMFYSA-N 0 3 399.329 3.904 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233111036 1038901911 /nfs/dbraw/zinc/90/19/11/1038901911.db2.gz YMBGVPAWWDQSET-HNNXBMFYSA-N 0 3 399.329 3.904 20 10 GHCDHN CCC(=O)NC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC001233198125 1038963561 /nfs/dbraw/zinc/96/35/61/1038963561.db2.gz XWZACLZVYSHDAH-UHFFFAOYSA-N 0 3 391.309 3.799 20 10 GHCDHN Oc1c(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417168 1039275015 /nfs/dbraw/zinc/27/50/15/1039275015.db2.gz KTARZJXLKBUYPS-HNNXBMFYSA-N 0 3 395.425 3.666 20 10 GHCDHN [O-]c1c(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417168 1039275023 /nfs/dbraw/zinc/27/50/23/1039275023.db2.gz KTARZJXLKBUYPS-HNNXBMFYSA-N 0 3 395.425 3.666 20 10 GHCDHN [O-]c1c(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417168 1039275034 /nfs/dbraw/zinc/27/50/34/1039275034.db2.gz KTARZJXLKBUYPS-HNNXBMFYSA-N 0 3 395.425 3.666 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC(CN(C)C(=O)OC(C)(C)C)C3)c2c1 ZINC001234526171 1040102043 /nfs/dbraw/zinc/10/20/43/1040102043.db2.gz RCOTUUGQPNPXRP-UHFFFAOYSA-N 0 3 386.492 3.853 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCn5c(C)cnc54)CC3)c2c1 ZINC001234535683 1040107834 /nfs/dbraw/zinc/10/78/34/1040107834.db2.gz DBDGBCJEYWDUML-UHFFFAOYSA-N 0 3 377.488 3.996 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001234535637 1040108429 /nfs/dbraw/zinc/10/84/29/1040108429.db2.gz CRJRCCLAFAQFTP-KDURUIRLSA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001234535637 1040108438 /nfs/dbraw/zinc/10/84/38/1040108438.db2.gz CRJRCCLAFAQFTP-KDURUIRLSA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001234535952 1040108829 /nfs/dbraw/zinc/10/88/29/1040108829.db2.gz JCGWTMJTMMRMNP-IRXDYDNUSA-N 0 3 395.528 3.574 20 10 GHCDHN COc1ccnc(OC2CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)n1 ZINC001235001516 1040494741 /nfs/dbraw/zinc/49/47/41/1040494741.db2.gz UTASGAVBJVCQQP-UHFFFAOYSA-N 0 3 391.471 3.901 20 10 GHCDHN COc1ccnc(O[C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235001186 1040494962 /nfs/dbraw/zinc/49/49/62/1040494962.db2.gz SSSFSMPIJCWYRV-IBGZPJMESA-N 0 3 391.471 3.901 20 10 GHCDHN COc1ccnc(O[C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235001186 1040494973 /nfs/dbraw/zinc/49/49/73/1040494973.db2.gz SSSFSMPIJCWYRV-IBGZPJMESA-N 0 3 391.471 3.901 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+]Cc1cccc(O)c1[O-])CC2 ZINC001254874124 1040619260 /nfs/dbraw/zinc/61/92/60/1040619260.db2.gz YRQCUKFEAMMFHL-UHFFFAOYSA-N 0 3 376.497 3.757 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c([O-])c1 ZINC001235679282 1041141316 /nfs/dbraw/zinc/14/13/16/1041141316.db2.gz MMELSQYWQROZTR-UHFFFAOYSA-N 0 3 395.547 3.956 20 10 GHCDHN CC(C)(C)c1ccc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c(O)c1 ZINC001235684672 1041155506 /nfs/dbraw/zinc/15/55/06/1041155506.db2.gz ZFUVIFGHTAMOQF-SFHVURJKSA-N 0 3 383.536 3.945 20 10 GHCDHN COCCOc1ccc(N2CCN([C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001255720180 1041248029 /nfs/dbraw/zinc/24/80/29/1041248029.db2.gz KITQGORTWCGCNM-AEFFLSMTSA-N 0 3 386.458 3.955 20 10 GHCDHN COc1ccc(CNCc2ccc(OC(F)F)cc2OC(F)F)c(O)c1 ZINC001256331428 1041704479 /nfs/dbraw/zinc/70/44/79/1041704479.db2.gz HQWJFLXCCOHURE-UHFFFAOYSA-N 0 3 375.318 3.893 20 10 GHCDHN COc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)c([O-])c1 ZINC001256331428 1041704485 /nfs/dbraw/zinc/70/44/85/1041704485.db2.gz HQWJFLXCCOHURE-UHFFFAOYSA-N 0 3 375.318 3.893 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c([O-])c1 ZINC001236787706 1041893031 /nfs/dbraw/zinc/89/30/31/1041893031.db2.gz NDPAGVPKXFGCGI-NRFANRHFSA-N 0 3 382.504 3.690 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001236788550 1041894046 /nfs/dbraw/zinc/89/40/46/1041894046.db2.gz LWNVLLPESSPADR-RPWUZVMVSA-N 0 3 378.516 3.719 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001236788550 1041894053 /nfs/dbraw/zinc/89/40/53/1041894053.db2.gz LWNVLLPESSPADR-RPWUZVMVSA-N 0 3 378.516 3.719 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)c([O-])c1 ZINC001236811534 1041911204 /nfs/dbraw/zinc/91/12/04/1041911204.db2.gz QRXRGWQEKPATDA-GOSISDBHSA-N 0 3 386.536 3.618 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)c([O-])c1 ZINC001236811783 1041911395 /nfs/dbraw/zinc/91/13/95/1041911395.db2.gz UETWINNVNUDTGI-NRFANRHFSA-N 0 3 394.515 3.690 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3ccc(Cl)c(OC)c3)CC2)c(O)c1 ZINC001236820852 1041916130 /nfs/dbraw/zinc/91/61/30/1041916130.db2.gz NGBRMWYCMUHUGP-UHFFFAOYSA-N 0 3 376.884 3.693 20 10 GHCDHN O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236835759 1041922902 /nfs/dbraw/zinc/92/29/02/1041922902.db2.gz RDAUIMRQEYYWRC-UHFFFAOYSA-N 0 3 392.421 3.922 20 10 GHCDHN COc1cc(C)nc(OC2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)n1 ZINC001236836107 1041922986 /nfs/dbraw/zinc/92/29/86/1041922986.db2.gz XRWAFMRAUNNRLU-UHFFFAOYSA-N 0 3 379.460 3.696 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001237042294 1042002466 /nfs/dbraw/zinc/00/24/66/1042002466.db2.gz ZMFMVCKCCKFSAE-NRFANRHFSA-N 0 3 386.517 3.872 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001237042294 1042002472 /nfs/dbraw/zinc/00/24/72/1042002472.db2.gz ZMFMVCKCCKFSAE-NRFANRHFSA-N 0 3 386.517 3.872 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001237054303 1042011597 /nfs/dbraw/zinc/01/15/97/1042011597.db2.gz VKEXRQCOTLHZAU-FYYLOGMGSA-N 0 3 382.504 3.576 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001237054303 1042011602 /nfs/dbraw/zinc/01/16/02/1042011602.db2.gz VKEXRQCOTLHZAU-FYYLOGMGSA-N 0 3 382.504 3.576 20 10 GHCDHN COc1ccc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])cc1OC ZINC001237055106 1042013269 /nfs/dbraw/zinc/01/32/69/1042013269.db2.gz ADZNYWVAEUNQLS-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN COc1ccc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])cc1OC ZINC001237055106 1042013276 /nfs/dbraw/zinc/01/32/76/1042013276.db2.gz ADZNYWVAEUNQLS-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237062061 1042015996 /nfs/dbraw/zinc/01/59/96/1042015996.db2.gz JONBTQCCVJMXDP-IAGOWNOFSA-N 0 3 392.421 3.902 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001237134847 1042056677 /nfs/dbraw/zinc/05/66/77/1042056677.db2.gz BYKGXMYZZNJSIG-OAHLLOKOSA-N 0 3 393.409 3.740 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237134857 1042056751 /nfs/dbraw/zinc/05/67/51/1042056751.db2.gz CDKAUKBQARSRCN-OKILXGFUSA-N 0 3 386.414 3.710 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237134857 1042056754 /nfs/dbraw/zinc/05/67/54/1042056754.db2.gz CDKAUKBQARSRCN-OKILXGFUSA-N 0 3 386.414 3.710 20 10 GHCDHN CC(C)Oc1ncnc2c1CCN(Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237136698 1042058748 /nfs/dbraw/zinc/05/87/48/1042058748.db2.gz UDXUALWMMSKEJJ-UHFFFAOYSA-N 0 3 381.398 3.589 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001237140154 1042060984 /nfs/dbraw/zinc/06/09/84/1042060984.db2.gz WQALELJLBASMLS-UHFFFAOYSA-N 0 3 383.414 3.575 20 10 GHCDHN COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4c(C)cccc4[O-])C3)C2=O)cc1 ZINC001237486771 1042230258 /nfs/dbraw/zinc/23/02/58/1042230258.db2.gz UGEJROLPPRBWPN-DEOSSOPVSA-N 0 3 394.515 3.724 20 10 GHCDHN COc1ccc(CN2CC[C@]3(CCC[N@@H+](Cc4c(C)cccc4[O-])C3)C2=O)cc1 ZINC001237486771 1042230263 /nfs/dbraw/zinc/23/02/63/1042230263.db2.gz UGEJROLPPRBWPN-DEOSSOPVSA-N 0 3 394.515 3.724 20 10 GHCDHN Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2c(C)cccc2[O-])CC3)cs1 ZINC001237489020 1042232615 /nfs/dbraw/zinc/23/26/15/1042232615.db2.gz CCUPGZZOMKTPJA-SFHVURJKSA-N 0 3 388.533 3.806 20 10 GHCDHN Cc1ccnc(O[C@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237649516 1042303718 /nfs/dbraw/zinc/30/37/18/1042303718.db2.gz LODWGDLNHRJLLC-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237649516 1042303727 /nfs/dbraw/zinc/30/37/27/1042303727.db2.gz LODWGDLNHRJLLC-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cc(O)c(CN2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cc1Br ZINC001237678002 1042319365 /nfs/dbraw/zinc/31/93/65/1042319365.db2.gz GQRZBBGDMIGPDA-VQIMIIECSA-N 0 3 396.325 3.623 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c1[O-] ZINC001237679543 1042320936 /nfs/dbraw/zinc/32/09/36/1042320936.db2.gz JMJGWLBXOAGGKF-UHFFFAOYSA-N 0 3 399.922 3.764 20 10 GHCDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)cc(OC)c2O)[C@H](c2ccccc2)C1 ZINC001237681055 1042322258 /nfs/dbraw/zinc/32/22/58/1042322258.db2.gz NYYNQLXDJZPHFI-APWZRJJASA-N 0 3 385.460 3.536 20 10 GHCDHN Cc1cccc(N2CCC[N@H+](Cc3cc(Br)c(C)cc3[O-])CC2)n1 ZINC001237682295 1042323079 /nfs/dbraw/zinc/32/30/79/1042323079.db2.gz QLUDQRHRKWAVTB-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)c(C)cc3[O-])CC2)n1 ZINC001237682295 1042323088 /nfs/dbraw/zinc/32/30/88/1042323088.db2.gz QLUDQRHRKWAVTB-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1[O-] ZINC001237682696 1042323617 /nfs/dbraw/zinc/32/36/17/1042323617.db2.gz CHZLAPSHJWZCKL-QFIPXVFZSA-N 0 3 399.922 3.764 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1[O-] ZINC001237682696 1042323621 /nfs/dbraw/zinc/32/36/21/1042323621.db2.gz CHZLAPSHJWZCKL-QFIPXVFZSA-N 0 3 399.922 3.764 20 10 GHCDHN Cc1cc(Cl)cc(CN2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)c1O ZINC001237685367 1042325678 /nfs/dbraw/zinc/32/56/78/1042325678.db2.gz MKRJLZWXFNKVON-SBHAEUEKSA-N 0 3 390.911 3.811 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1[O-] ZINC001237688209 1042327592 /nfs/dbraw/zinc/32/75/92/1042327592.db2.gz GMRIZCQRIYUUDH-UHFFFAOYSA-N 0 3 390.833 3.731 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2[nH]ccc2-c2ccccc2)N(C)C)cc1 ZINC001304769747 1047764276 /nfs/dbraw/zinc/76/42/76/1047764276.db2.gz ZWTGHVDUOSCNEG-NRFANRHFSA-N 0 3 376.504 3.780 20 10 GHCDHN Cc1ccc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2c1C ZINC001304769734 1047764344 /nfs/dbraw/zinc/76/43/44/1047764344.db2.gz ZJABUDXAXCEZJA-QFIPXVFZSA-N 0 3 378.520 3.883 20 10 GHCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c(Br)c1 ZINC001279673451 1047909955 /nfs/dbraw/zinc/90/99/55/1047909955.db2.gz AEZYYNKCFOTRIR-GASCZTMLSA-N 0 3 395.341 3.755 20 10 GHCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c(Br)c1 ZINC001279673451 1047909957 /nfs/dbraw/zinc/90/99/57/1047909957.db2.gz AEZYYNKCFOTRIR-GASCZTMLSA-N 0 3 395.341 3.755 20 10 GHCDHN CCc1cccc2c(CC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c21 ZINC001289600277 1049556521 /nfs/dbraw/zinc/55/65/21/1049556521.db2.gz OYTWURIBGJOOEF-JOCHJYFZSA-N 0 3 392.547 3.758 20 10 GHCDHN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001290719661 1049908146 /nfs/dbraw/zinc/90/81/46/1049908146.db2.gz WYBXMMUXSKWBDJ-LJQANCHMSA-N 0 3 395.507 3.749 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(OC4CCCC4)nc3)cc2F)CC1 ZINC001308208902 1049913744 /nfs/dbraw/zinc/91/37/44/1049913744.db2.gz HOUPGZYZZJKPIE-UHFFFAOYSA-N 0 3 398.526 3.584 20 10 GHCDHN Cc1ccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c(OCC2CC2)c1 ZINC001308307625 1049944908 /nfs/dbraw/zinc/94/49/08/1049944908.db2.gz FPNLHNUPMYEJLV-UHFFFAOYSA-N 0 3 397.538 3.965 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC001308500919 1049991924 /nfs/dbraw/zinc/99/19/24/1049991924.db2.gz GHFVPWXHJPKJRM-QFIPXVFZSA-N 0 3 377.532 3.814 20 10 GHCDHN CN1CCN(c2ccc(CNCc3c(F)cccc3Br)cc2)CC1 ZINC001308504103 1049992288 /nfs/dbraw/zinc/99/22/88/1049992288.db2.gz ZOORYXMXBWZQKA-UHFFFAOYSA-N 0 3 392.316 3.630 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001313117574 1052961157 /nfs/dbraw/zinc/96/11/57/1052961157.db2.gz QJMAJVFGUWMEID-QFIPXVFZSA-N 0 3 384.568 3.835 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](Cc2ccccc2)[C@H](C)CO)c1[O-] ZINC001319716136 1055418649 /nfs/dbraw/zinc/41/86/49/1055418649.db2.gz UMNMEGBGYSDSTB-CYBMUJFWSA-N 0 3 380.282 3.546 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c1[O-] ZINC001319716136 1055418658 /nfs/dbraw/zinc/41/86/58/1055418658.db2.gz UMNMEGBGYSDSTB-CYBMUJFWSA-N 0 3 380.282 3.546 20 10 GHCDHN CC(C)CCOC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319816265 1055487637 /nfs/dbraw/zinc/48/76/37/1055487637.db2.gz VDCUDMIATCNGKX-UHFFFAOYSA-N 0 3 377.548 3.605 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Cn4cccc4)cc3)c2)CC1 ZINC001320466506 1055818395 /nfs/dbraw/zinc/81/83/95/1055818395.db2.gz LAUVGXDZMDUDAA-UHFFFAOYSA-N 0 3 388.515 3.931 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1[O-] ZINC000848513424 1057142353 /nfs/dbraw/zinc/14/23/53/1057142353.db2.gz DGEWSDBJZPMGNO-LLVKDONJSA-N 0 3 394.265 3.785 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCCCCC2=O)c1[O-] ZINC000848513478 1057143116 /nfs/dbraw/zinc/14/31/16/1057143116.db2.gz FBJBGZRHHXJHCR-ZDUSSCGKSA-N 0 3 399.329 3.607 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCOCC(F)(F)F)c1[O-] ZINC000848517848 1057144892 /nfs/dbraw/zinc/14/48/92/1057144892.db2.gz GPNKVZHBKJIXCJ-VIFPVBQESA-N 0 3 386.208 3.783 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1[O-] ZINC000848531055 1057152713 /nfs/dbraw/zinc/15/27/13/1057152713.db2.gz KCWXSJOMNXGPAG-TZMCWYRMSA-N 0 3 380.282 3.590 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000848536266 1057157178 /nfs/dbraw/zinc/15/71/78/1057157178.db2.gz MRIWVZVKEOCHRL-VOJFVSQTSA-N 0 3 398.272 3.861 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000848536822 1057158549 /nfs/dbraw/zinc/15/85/49/1057158549.db2.gz VQTAOTZAKLSUJN-ZJUUUORDSA-N 0 3 383.290 3.817 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000848538017 1057159824 /nfs/dbraw/zinc/15/98/24/1057159824.db2.gz RVCDQLRADDZROZ-ZSRFRPKPSA-N 0 3 382.298 3.772 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1[O-] ZINC000848547634 1057170074 /nfs/dbraw/zinc/17/00/74/1057170074.db2.gz RBODAHVXORPUOX-QPUJVOFHSA-N 0 3 386.208 3.781 20 10 GHCDHN Cc1ccc(C2CCN(Cc3ccc(N4CCN(C)CC4)c(F)c3)CC2)cn1 ZINC001325201430 1057288154 /nfs/dbraw/zinc/28/81/54/1057288154.db2.gz QWQJDBNMICQLGS-UHFFFAOYSA-N 0 3 382.527 3.661 20 10 GHCDHN CCc1cccc(CNc2ccc(OCCCN3CCN(C)CC3)cc2)c1O ZINC000848919394 1057421790 /nfs/dbraw/zinc/42/17/90/1057421790.db2.gz KIEYPEBRZFQAEW-UHFFFAOYSA-N 0 3 383.536 3.583 20 10 GHCDHN Cc1cccc2c(CCC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c21 ZINC001439960816 1058367529 /nfs/dbraw/zinc/36/75/29/1058367529.db2.gz OKRBKKBZAAEDRR-JOCHJYFZSA-N 0 3 392.547 3.894 20 10 GHCDHN Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439961407 1058368810 /nfs/dbraw/zinc/36/88/10/1058368810.db2.gz REDMTIFVCQIKBU-HXUWFJFHSA-N 0 3 392.503 3.749 20 10 GHCDHN CCOc1ccc(N2CCN(Cc3ccc(-n4ccnc4)cc3C)CC2)cc1 ZINC001459794125 1064220678 /nfs/dbraw/zinc/22/06/78/1064220678.db2.gz BRZFOZGEMBRTPY-UHFFFAOYSA-N 0 3 376.504 3.902 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1ccccc1Br ZINC001464984127 1065307058 /nfs/dbraw/zinc/30/70/58/1065307058.db2.gz YNLRJPDBMBFFRH-OAHLLOKOSA-N 0 3 390.325 3.681 20 10 GHCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001353665644 1066122069 /nfs/dbraw/zinc/12/20/69/1066122069.db2.gz INYWIAHEWFZKOA-QFBILLFUSA-N 0 3 390.487 3.786 20 10 GHCDHN C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1Cc1ccccc1 ZINC001468322073 1067684275 /nfs/dbraw/zinc/68/42/75/1067684275.db2.gz ZMQZNODNIFPDJO-AVRDEDQJSA-N 0 3 392.547 3.531 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N(Cc2ccccc2)C2CC2)N(C)C)cc1 ZINC001471542912 1073123284 /nfs/dbraw/zinc/12/32/84/1073123284.db2.gz DYCKXPJDPAAEGY-QFIPXVFZSA-N 0 3 380.536 3.730 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccc(Cl)s2)N(C)C)cc1 ZINC001479535891 1079224530 /nfs/dbraw/zinc/22/45/30/1079224530.db2.gz XRYKHXMSKPLZKR-QGZVFWFLSA-N 0 3 394.972 3.912 20 10 GHCDHN COC(=O)c1c(CN2CCCCC[C@@H]2C[C@@H](C)O)c2cc(F)ccc2n1C ZINC001474514679 1074442566 /nfs/dbraw/zinc/44/25/66/1074442566.db2.gz DETYMXGJOOKUBF-GDBMZVCRSA-N 0 3 376.472 3.620 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccs2)c(C)n1-c1ccccn1 ZINC000175804140 837603559 /nfs/dbraw/zinc/60/35/59/837603559.db2.gz LKSOHQKISOYKJE-UHFFFAOYSA-N 0 3 382.533 3.755 20 10 GHCDHN CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1nc(CN)c2ccccc21)N=[N+]=[N-] ZINC001167695168 836749334 /nfs/dbraw/zinc/74/93/34/836749334.db2.gz FEUITRPLUTUWPR-YBEGLDIGSA-N 0 3 391.435 3.710 20 10 GHCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1cccc2nsnc21 ZINC000731847738 861905736 /nfs/dbraw/zinc/90/57/36/861905736.db2.gz NHNAQZAEXXUGRG-UHFFFAOYSA-N 0 3 382.489 3.780 20 10 GHCDHN COc1cccc(C2(NCc3cc(C)cc(OC)c3O)CCOCC2)c1F ZINC000894580569 851745143 /nfs/dbraw/zinc/74/51/43/851745143.db2.gz HNDLWKWIFLWNIX-UHFFFAOYSA-N 0 3 375.440 3.652 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000765817021 855072052 /nfs/dbraw/zinc/07/20/52/855072052.db2.gz ZWMXQNQCXZCCSC-VGOFRKELSA-N 0 3 388.515 3.739 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000761199494 859064021 /nfs/dbraw/zinc/06/40/21/859064021.db2.gz PEEJBGVLTALJIR-DOMZBBRYSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1[O-] ZINC000761205633 859142037 /nfs/dbraw/zinc/14/20/37/859142037.db2.gz HFDSHMQSMHDZNE-RHSMWYFYSA-N 0 3 389.801 3.678 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000765979030 859270115 /nfs/dbraw/zinc/27/01/15/859270115.db2.gz VZQQACSVODNCTR-KBPBESRZSA-N 0 3 384.455 3.656 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)c(F)c1 ZINC000765036637 859742622 /nfs/dbraw/zinc/74/26/22/859742622.db2.gz MOBIDFNUYHKSGV-JKSUJKDBSA-N 0 3 397.494 3.959 20 10 GHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000765245151 859863515 /nfs/dbraw/zinc/86/35/15/859863515.db2.gz OHKUMHLQNKASPH-RHSMWYFYSA-N 0 3 386.565 3.566 20 10 GHCDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCCO2 ZINC000765251558 859867089 /nfs/dbraw/zinc/86/70/89/859867089.db2.gz GMYVABSSJPIVFT-KNQAVFIVSA-N 0 3 393.531 3.700 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccs1 ZINC000765280296 859886377 /nfs/dbraw/zinc/88/63/77/859886377.db2.gz JNMQYPFYFTVRQP-MRXNPFEDSA-N 0 3 397.523 3.855 20 10 GHCDHN C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850654 860005175 /nfs/dbraw/zinc/00/51/75/860005175.db2.gz DOFFCKUAJSIQPV-WBAXXEDZSA-N 0 3 376.497 3.505 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(Cc4ccccc4OC)CC3)c2c1 ZINC000728049969 860369521 /nfs/dbraw/zinc/36/95/21/860369521.db2.gz LATOTSZQQFYZFH-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccccn2)c(C)n1-c1ccc(F)cc1 ZINC000730547744 861161891 /nfs/dbraw/zinc/16/18/91/861161891.db2.gz CIQPIRYXDYNVLY-UHFFFAOYSA-N 0 3 394.494 3.832 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000735886652 865030229 /nfs/dbraw/zinc/03/02/29/865030229.db2.gz GAWFXUNULHMLEA-QFIPXVFZSA-N 0 3 394.563 3.947 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000742392561 867259060 /nfs/dbraw/zinc/25/90/60/867259060.db2.gz QUILDNXOGSAKGO-AKIFATBCSA-N 0 3 377.532 3.779 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c([O-])c1 ZINC000793571609 882323376 /nfs/dbraw/zinc/32/33/76/882323376.db2.gz WIODMACVHGXSKZ-NPMXOYFQSA-N 0 3 393.487 3.776 20 10 GHCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc(C(=O)OC)c1 ZINC000766901009 872050216 /nfs/dbraw/zinc/05/02/16/872050216.db2.gz ILZUGBGJFLCAAU-UHFFFAOYSA-N 0 3 397.471 3.910 20 10 GHCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc(C(=O)OC)c1 ZINC000766901009 872050239 /nfs/dbraw/zinc/05/02/39/872050239.db2.gz ILZUGBGJFLCAAU-UHFFFAOYSA-N 0 3 397.471 3.910 20 10 GHCDHN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000182457760 872376899 /nfs/dbraw/zinc/37/68/99/872376899.db2.gz HRUUYWRJAVLKSY-QRQCRPRQSA-N 0 3 386.492 3.574 20 10 GHCDHN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000182457728 872377086 /nfs/dbraw/zinc/37/70/86/872377086.db2.gz HRUUYWRJAVLKSY-NYHFZMIOSA-N 0 3 386.492 3.574 20 10 GHCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775668249 872566566 /nfs/dbraw/zinc/56/65/66/872566566.db2.gz UPGQTEVNNVBNKY-CQSZACIVSA-N 0 3 383.330 3.591 20 10 GHCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775668249 872566572 /nfs/dbraw/zinc/56/65/72/872566572.db2.gz UPGQTEVNNVBNKY-CQSZACIVSA-N 0 3 383.330 3.591 20 10 GHCDHN C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444954 873308469 /nfs/dbraw/zinc/30/84/69/873308469.db2.gz OMSQNBREGBKBIH-OAQYLSRUSA-N 0 3 380.444 3.538 20 10 GHCDHN C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444954 873308485 /nfs/dbraw/zinc/30/84/85/873308485.db2.gz OMSQNBREGBKBIH-OAQYLSRUSA-N 0 3 380.444 3.538 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](COc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463058 873328940 /nfs/dbraw/zinc/32/89/40/873328940.db2.gz QNUQZYLEFIZDSH-LIRRHRJNSA-N 0 3 389.879 3.762 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](COc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463058 873328958 /nfs/dbraw/zinc/32/89/58/873328958.db2.gz QNUQZYLEFIZDSH-LIRRHRJNSA-N 0 3 389.879 3.762 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000768925384 873694390 /nfs/dbraw/zinc/69/43/90/873694390.db2.gz BTWPGZPFIPZYHP-QHCPKHFHSA-N 0 3 392.547 3.703 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000769518154 874125229 /nfs/dbraw/zinc/12/52/29/874125229.db2.gz VTVVKCVYWVZWKV-KRWDZBQOSA-N 0 3 386.492 3.885 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000769518154 874125234 /nfs/dbraw/zinc/12/52/34/874125234.db2.gz VTVVKCVYWVZWKV-KRWDZBQOSA-N 0 3 386.492 3.885 20 10 GHCDHN CCOc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c([O-])c1 ZINC000769528822 874135306 /nfs/dbraw/zinc/13/53/06/874135306.db2.gz ZQRFAFLHESLVGG-QGZVFWFLSA-N 0 3 380.282 3.719 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c([O-])c1 ZINC000769528822 874135308 /nfs/dbraw/zinc/13/53/08/874135308.db2.gz ZQRFAFLHESLVGG-QGZVFWFLSA-N 0 3 380.282 3.719 20 10 GHCDHN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834993 874328554 /nfs/dbraw/zinc/32/85/54/874328554.db2.gz XRUFHUVJCDMJTQ-QGZVFWFLSA-N 0 3 396.535 3.524 20 10 GHCDHN CCn1nc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)c2ccccc21 ZINC000769909719 874335354 /nfs/dbraw/zinc/33/53/54/874335354.db2.gz DQEJNDQOFYMHOE-UHFFFAOYSA-N 0 3 395.526 3.627 20 10 GHCDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386020 874613015 /nfs/dbraw/zinc/61/30/15/874613015.db2.gz LXKJVBRXMBBJBT-GMAHTHKFSA-N 0 3 377.488 3.881 20 10 GHCDHN Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386020 874613019 /nfs/dbraw/zinc/61/30/19/874613019.db2.gz LXKJVBRXMBBJBT-GMAHTHKFSA-N 0 3 377.488 3.881 20 10 GHCDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013673 875131195 /nfs/dbraw/zinc/13/11/95/875131195.db2.gz NAPLIMHSUMALIR-CTNGQTDRSA-N 0 3 399.487 3.514 20 10 GHCDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013673 875131204 /nfs/dbraw/zinc/13/12/04/875131204.db2.gz NAPLIMHSUMALIR-CTNGQTDRSA-N 0 3 399.487 3.514 20 10 GHCDHN [O-]c1c(Cl)cccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000776024568 875194692 /nfs/dbraw/zinc/19/46/92/875194692.db2.gz OUBHQWUPOPPFBE-UHFFFAOYSA-N 0 3 387.955 3.733 20 10 GHCDHN Cc1cc([C@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)ccc1F ZINC000776032614 875232234 /nfs/dbraw/zinc/23/22/34/875232234.db2.gz XRINXKHMKUDPJC-HSZRJFAPSA-N 0 3 383.511 3.899 20 10 GHCDHN CC(=O)N(C)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000858249091 882976840 /nfs/dbraw/zinc/97/68/40/882976840.db2.gz NMSJAMWKSDPCJQ-UHFFFAOYSA-N 0 3 396.491 3.858 20 10 GHCDHN COCc1csc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000850034870 876619000 /nfs/dbraw/zinc/61/90/00/876619000.db2.gz SLXLMELZPOLLTC-HUUCEWRRSA-N 0 3 378.513 3.937 20 10 GHCDHN O=S1(=O)CCN(c2ccc(CNCc3cccc(C4CCCC4)c3)cc2)CC1 ZINC000850135455 876690229 /nfs/dbraw/zinc/69/02/29/876690229.db2.gz LTXXJLZTFYVVBT-UHFFFAOYSA-N 0 3 398.572 3.869 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(Br)c(F)c3)cc2)CC1 ZINC000850406106 876886983 /nfs/dbraw/zinc/88/69/83/876886983.db2.gz RYBURSHOTWURNB-UHFFFAOYSA-N 0 3 393.300 3.839 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCc2c(C3CC3)cnn2C)c1O ZINC000850534649 877006094 /nfs/dbraw/zinc/00/60/94/877006094.db2.gz LMBSXYZUUFCMEB-SNVBAGLBSA-N 0 3 380.286 3.625 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000850565908 877031456 /nfs/dbraw/zinc/03/14/56/877031456.db2.gz JPLPMSNMBOOICY-KRWDZBQOSA-N 0 3 382.504 3.660 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1[O-] ZINC000850573158 877038778 /nfs/dbraw/zinc/03/87/78/877038778.db2.gz VJRGLYMQINFEHO-GDZNZVCISA-N 0 3 394.309 3.979 20 10 GHCDHN c1nc2ccc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)cc2[nH]1 ZINC001137049826 877548500 /nfs/dbraw/zinc/54/85/00/877548500.db2.gz CBBITCIFIOVSKN-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000746724903 877795470 /nfs/dbraw/zinc/79/54/70/877795470.db2.gz SIHCBDRMADIESV-APWZRJJASA-N 0 3 384.499 3.526 20 10 GHCDHN CN1CCCc2cc(CNC(=O)NC[C@@H](c3ccccc3)N3CCCC3)ccc21 ZINC000746981594 880219333 /nfs/dbraw/zinc/21/93/33/880219333.db2.gz XMTAZEFGWWGASP-QHCPKHFHSA-N 0 3 392.547 3.705 20 10 GHCDHN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000103510009 881244551 /nfs/dbraw/zinc/24/45/51/881244551.db2.gz JBFCKSJQRUTQHR-RDTXWAMCSA-N 0 3 391.537 3.906 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000859760176 884041832 /nfs/dbraw/zinc/04/18/32/884041832.db2.gz XDDHETCEPDQYSA-UHFFFAOYSA-N 0 3 382.508 3.679 20 10 GHCDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000806433258 884669972 /nfs/dbraw/zinc/66/99/72/884669972.db2.gz IEDCWXJVESDPMW-PXNSSMCTSA-N 0 3 384.524 3.808 20 10 GHCDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccco1 ZINC000806846126 885021946 /nfs/dbraw/zinc/02/19/46/885021946.db2.gz DGBDSHLVBSKJCT-PXNSSMCTSA-N 0 3 382.508 3.584 20 10 GHCDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000807441642 885475256 /nfs/dbraw/zinc/47/52/56/885475256.db2.gz LZDZKPXJYMCZNF-DNVCBOLYSA-N 0 3 385.508 3.793 20 10 GHCDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000807622658 885579335 /nfs/dbraw/zinc/57/93/35/885579335.db2.gz ULXSZAUEBVEKSW-XMSQKQJNSA-N 0 3 380.536 3.557 20 10 GHCDHN CN(C)c1cc(F)c(CN(C)C2CCN(C(=O)c3ccccc3)CC2)cc1F ZINC000862237280 886237330 /nfs/dbraw/zinc/23/73/30/886237330.db2.gz LBHPHPXSKUAKRU-UHFFFAOYSA-N 0 3 387.474 3.767 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1[O-] ZINC000808676839 886677564 /nfs/dbraw/zinc/67/75/64/886677564.db2.gz LZVYBEAWLJRQKZ-CABCVRRESA-N 0 3 375.900 3.825 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1[O-] ZINC000808697667 886717419 /nfs/dbraw/zinc/71/74/19/886717419.db2.gz QPYTZSAUMSYPKF-YRISNDGFSA-N 0 3 388.939 3.888 20 10 GHCDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000119447456 887103624 /nfs/dbraw/zinc/10/36/24/887103624.db2.gz AKDHPRIUGRRULA-KRWDZBQOSA-N 0 3 387.549 3.517 20 10 GHCDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1O ZINC000809750199 887786854 /nfs/dbraw/zinc/78/68/54/887786854.db2.gz VYBSMIUZRHJAJO-SFHVURJKSA-N 0 3 393.483 3.714 20 10 GHCDHN C[NH+]1CCC(N(Cc2ccco2)Cc2cccc(Br)c2[O-])CC1 ZINC000809766582 887806942 /nfs/dbraw/zinc/80/69/42/887806942.db2.gz QFIZJQCTDXQGDY-UHFFFAOYSA-N 0 3 379.298 3.844 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000809791417 887845878 /nfs/dbraw/zinc/84/58/78/887845878.db2.gz YFCXDOVKDSYHSC-FQEVSTJZSA-N 0 3 379.859 3.620 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000809791417 887845885 /nfs/dbraw/zinc/84/58/85/887845885.db2.gz YFCXDOVKDSYHSC-FQEVSTJZSA-N 0 3 379.859 3.620 20 10 GHCDHN CNC(=O)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccccc1 ZINC000796036764 913194046 /nfs/dbraw/zinc/19/40/46/913194046.db2.gz NGZGNIRESWPGOI-QFIPXVFZSA-N 0 3 390.483 3.938 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1[O-] ZINC000794796578 888059362 /nfs/dbraw/zinc/05/93/62/888059362.db2.gz LJHMVFIOKVAFNI-GHTZIAJQSA-N 0 3 381.520 3.643 20 10 GHCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000794804765 888095221 /nfs/dbraw/zinc/09/52/21/888095221.db2.gz WBELSGBVLUEPNX-FPOVZHCZSA-N 0 3 382.504 3.850 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219880 888297013 /nfs/dbraw/zinc/29/70/13/888297013.db2.gz XGSBGYOIEMLGPB-KBXCAEBGSA-N 0 3 386.458 3.953 20 10 GHCDHN O=C(NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1cccc(O)c1 ZINC000729680029 888492210 /nfs/dbraw/zinc/49/22/10/888492210.db2.gz WRFUUBRHIQPPEL-UHFFFAOYSA-N 0 3 376.456 3.675 20 10 GHCDHN COC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000287591340 913429314 /nfs/dbraw/zinc/42/93/14/913429314.db2.gz RQDVIMNMKDOHMO-HNNXBMFYSA-N 0 3 387.455 3.691 20 10 GHCDHN COC(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000123200485 890396479 /nfs/dbraw/zinc/39/64/79/890396479.db2.gz WZXWMXQVHBDJBE-UHFFFAOYSA-N 0 3 396.491 3.648 20 10 GHCDHN NC(=O)N=Nc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000874272458 892064610 /nfs/dbraw/zinc/06/46/10/892064610.db2.gz LQIJATULKGWHDJ-UHFFFAOYSA-N 0 3 393.491 3.630 20 10 GHCDHN O=C(NC[C@@H]1CCN1C1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000875874068 892851766 /nfs/dbraw/zinc/85/17/66/892851766.db2.gz YVVVJRHFJOJCQO-IBGZPJMESA-N 0 3 383.492 3.714 20 10 GHCDHN [O-]c1c(CNc2ccc(CN3CC[NH2+]CC3)cc2)cc(Cl)c2cccnc12 ZINC001168523600 893399695 /nfs/dbraw/zinc/39/96/95/893399695.db2.gz PXSNEHYFBSYEFK-UHFFFAOYSA-N 0 3 382.895 3.611 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3CCOC4)c2)CC1 ZINC000935181241 894253269 /nfs/dbraw/zinc/25/32/69/894253269.db2.gz FVJCLPCECQBBDJ-UHFFFAOYSA-N 0 3 379.504 3.542 20 10 GHCDHN CC[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)ccc1[O-] ZINC000817939540 895968774 /nfs/dbraw/zinc/96/87/74/895968774.db2.gz DXRQPIORERTRFF-KRWDZBQOSA-N 0 3 378.314 3.770 20 10 GHCDHN c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000883394639 897557813 /nfs/dbraw/zinc/55/78/13/897557813.db2.gz DRBMWFPRYDEWAM-QFIPXVFZSA-N 0 3 394.515 3.686 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124186 899993699 /nfs/dbraw/zinc/99/36/99/899993699.db2.gz JSNZQHKOPFLFGE-VQIMIIECSA-N 0 3 381.394 3.716 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124186 899993705 /nfs/dbraw/zinc/99/37/05/899993705.db2.gz JSNZQHKOPFLFGE-VQIMIIECSA-N 0 3 381.394 3.716 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000303200457 914442839 /nfs/dbraw/zinc/44/28/39/914442839.db2.gz ODHHSDANOMXLQG-QHCPKHFHSA-N 0 3 386.499 3.999 20 10 GHCDHN COC(=O)c1cc2n(n1)CCC[C@H]2NCc1ccc(N2CCC(C)CC2)cc1 ZINC000886524934 901122978 /nfs/dbraw/zinc/12/29/78/901122978.db2.gz UGJFVPKGTMULRD-LJQANCHMSA-N 0 3 382.508 3.531 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc2ccccc2o1 ZINC000886746754 901250185 /nfs/dbraw/zinc/25/01/85/901250185.db2.gz BEBDIPWIGFJWHZ-MRXNPFEDSA-N 0 3 377.488 3.985 20 10 GHCDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746940 901251238 /nfs/dbraw/zinc/25/12/38/901251238.db2.gz GOPJZNXGVDYXKP-KRWDZBQOSA-N 0 3 381.520 3.556 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000886749189 901253640 /nfs/dbraw/zinc/25/36/40/901253640.db2.gz LUTSRPCPKDDKRO-IFXJQAMLSA-N 0 3 397.494 3.571 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999390 902581049 /nfs/dbraw/zinc/58/10/49/902581049.db2.gz IMSJHONCDXKBKQ-QWFCFKBJSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999390 902581060 /nfs/dbraw/zinc/58/10/60/902581060.db2.gz IMSJHONCDXKBKQ-QWFCFKBJSA-N 0 3 390.524 3.677 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1[O-] ZINC000779002509 902695563 /nfs/dbraw/zinc/69/55/63/902695563.db2.gz INRHRJPNXUAWSJ-UKRRQHHQSA-N 0 3 380.282 3.554 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000302743627 903926577 /nfs/dbraw/zinc/92/65/77/903926577.db2.gz UAYACNMWHZFPOA-UHFFFAOYSA-N 0 3 379.548 3.666 20 10 GHCDHN C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773166282 904513989 /nfs/dbraw/zinc/51/39/89/904513989.db2.gz WHBIEAWXUHNESV-XMSQKQJNSA-N 0 3 380.536 3.950 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000801596239 921174301 /nfs/dbraw/zinc/17/43/01/921174301.db2.gz VHNVMYBPZPYLKI-CQSZACIVSA-N 0 3 382.464 3.603 20 10 GHCDHN CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001177810662 908765708 /nfs/dbraw/zinc/76/57/08/908765708.db2.gz NNLPDQJNLHTFTP-HXUWFJFHSA-N 0 3 387.911 3.758 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000780065024 921448406 /nfs/dbraw/zinc/44/84/06/921448406.db2.gz PJDXNOTTXDPROX-DEOSSOPVSA-N 0 3 387.527 3.942 20 10 GHCDHN COc1cc(C)c(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(O)c1 ZINC001180034930 909905262 /nfs/dbraw/zinc/90/52/62/909905262.db2.gz MTRCMHQQEMCREF-UHFFFAOYSA-N 0 3 388.895 3.711 20 10 GHCDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329174 910863638 /nfs/dbraw/zinc/86/36/38/910863638.db2.gz MVUMSOUXTCKQQJ-SIKLNZKXSA-N 0 3 377.488 3.738 20 10 GHCDHN Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329174 910863650 /nfs/dbraw/zinc/86/36/50/910863650.db2.gz MVUMSOUXTCKQQJ-SIKLNZKXSA-N 0 3 377.488 3.738 20 10 GHCDHN CC[C@H]1CN(C)CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001181988326 911111890 /nfs/dbraw/zinc/11/18/90/911111890.db2.gz YPESPXRUDHFNAK-KRWDZBQOSA-N 0 3 380.374 3.965 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c2c1c(F)ccc2[O-] ZINC000774396806 911708585 /nfs/dbraw/zinc/70/85/85/911708585.db2.gz NLIBYIXVVWVCJH-XAGWURHQSA-N 0 3 383.385 3.938 20 10 GHCDHN CCC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000092705072 911726888 /nfs/dbraw/zinc/72/68/88/911726888.db2.gz SUTWZSDSNDXEFD-UHFFFAOYSA-N 0 3 379.460 3.966 20 10 GHCDHN CCC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000092705072 911726894 /nfs/dbraw/zinc/72/68/94/911726894.db2.gz SUTWZSDSNDXEFD-UHFFFAOYSA-N 0 3 379.460 3.966 20 10 GHCDHN Oc1ccccc1CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CCCO1 ZINC000096971067 915312363 /nfs/dbraw/zinc/31/23/63/915312363.db2.gz ABDKHYOJNVUGOB-KRWDZBQOSA-N 0 3 389.879 3.998 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000775372720 917251430 /nfs/dbraw/zinc/25/14/30/917251430.db2.gz HCLCETXGQBEYNT-INIZCTEOSA-N 0 3 383.492 3.599 20 10 GHCDHN COC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])c1 ZINC000796491699 917784867 /nfs/dbraw/zinc/78/48/67/917784867.db2.gz VVMODZDFZOAWOR-UHFFFAOYSA-N 0 3 395.253 3.631 20 10 GHCDHN COC1CCN(c2ccc(CN(Cc3cccc(C(N)=O)c3)C3CC3)cc2)CC1 ZINC000296733976 918660821 /nfs/dbraw/zinc/66/08/21/918660821.db2.gz OBXHSWYBJSPZEM-UHFFFAOYSA-N 0 3 393.531 3.565 20 10 GHCDHN CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000113359184 919366122 /nfs/dbraw/zinc/36/61/22/919366122.db2.gz RVUBHMGHWUVGHA-SFHVURJKSA-N 0 3 376.932 3.751 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000365666201 921062106 /nfs/dbraw/zinc/06/21/06/921062106.db2.gz YUAGXBONIMRPAC-UHFFFAOYSA-N 0 3 381.329 3.976 20 10 GHCDHN Fc1ccccc1[C@H](NCc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000903076204 922751845 /nfs/dbraw/zinc/75/18/45/922751845.db2.gz LLGSXGOVKBMLAT-HSZRJFAPSA-N 0 3 384.495 3.920 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1[O-] ZINC000903202406 922849584 /nfs/dbraw/zinc/84/95/84/922849584.db2.gz BXTXQQULAQOLDO-NSHDSACASA-N 0 3 390.281 3.901 20 10 GHCDHN c1ccc2c(c1)CCC1(CCN(Cc3ccc(N4CCOCC4)cc3)CC1)O2 ZINC000827629841 925853736 /nfs/dbraw/zinc/85/37/36/925853736.db2.gz QFUYBKSBEKVKLM-UHFFFAOYSA-N 0 3 378.516 3.883 20 10 GHCDHN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc2c(c1)CCCN2C ZINC000753642586 929457956 /nfs/dbraw/zinc/45/79/56/929457956.db2.gz BWVLXPXSEKITGS-HSZRJFAPSA-N 0 3 379.548 3.541 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000757634143 929751785 /nfs/dbraw/zinc/75/17/85/929751785.db2.gz ZAVRSAXRHLWMOI-FUHIMQAGSA-N 0 3 382.504 3.740 20 10 GHCDHN COc1ccc(N2CCCN(C[C@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759045839 930255261 /nfs/dbraw/zinc/25/52/61/930255261.db2.gz UHIAFUIMTXYGKH-FQEVSTJZSA-N 0 3 378.875 3.733 20 10 GHCDHN C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CN1Cc1ccccc1 ZINC000759586531 930414048 /nfs/dbraw/zinc/41/40/48/930414048.db2.gz PZVYISJQFKPBHW-DOTOQJQBSA-N 0 3 390.578 3.588 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1[O-] ZINC000781148214 930716017 /nfs/dbraw/zinc/71/60/17/930716017.db2.gz AVWMKCCTSPOLMO-UHFFFAOYSA-N 0 3 395.459 3.577 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1CC1CCC1 ZINC000924762257 931528014 /nfs/dbraw/zinc/52/80/14/931528014.db2.gz ZECQAPXREHSSCV-GOSISDBHSA-N 0 3 382.552 3.743 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cnn(C4CCC4)c3)cc2F)CC1 ZINC000924996260 931606973 /nfs/dbraw/zinc/60/69/73/931606973.db2.gz RDYJEXAYLHVLTK-QGZVFWFLSA-N 0 3 385.531 3.740 20 10 GHCDHN COc1cc(N2CCN(C[C@H](C)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000783673623 931614434 /nfs/dbraw/zinc/61/44/34/931614434.db2.gz QJUBRPRCYCGFBO-INIZCTEOSA-N 0 3 388.483 3.777 20 10 GHCDHN C[C@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000927017745 932382445 /nfs/dbraw/zinc/38/24/45/932382445.db2.gz ZIPVLBHMXYVVET-WMZOPIPTSA-N 0 3 394.943 3.555 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000927070080 932399396 /nfs/dbraw/zinc/39/93/96/932399396.db2.gz NNRFKORUZQBCFA-BDJLRTHQSA-N 0 3 382.302 3.945 20 10 GHCDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000798003774 932486686 /nfs/dbraw/zinc/48/66/86/932486686.db2.gz RLLAQRJVCFFSSX-OAGGEKHMSA-N 0 3 380.916 3.559 20 10 GHCDHN COc1ccc(CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C2CC2)cc1 ZINC001116437824 933557811 /nfs/dbraw/zinc/55/78/11/933557811.db2.gz ULLJJOCZUQQYQU-UHFFFAOYSA-N 0 3 383.511 3.751 20 10 GHCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001117722531 933996084 /nfs/dbraw/zinc/99/60/84/933996084.db2.gz ACSPODBDKCBSOC-UHFFFAOYSA-N 0 3 398.576 3.756 20 10 GHCDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000828669989 935687268 /nfs/dbraw/zinc/68/72/68/935687268.db2.gz WOKLLMVMROVPGC-HNNXBMFYSA-N 0 3 388.895 3.814 20 10 GHCDHN COc1ccc(N2CCN(Cc3ccc(N(C)C)c4ccccc34)CC2)nc1 ZINC001204241160 1032684548 /nfs/dbraw/zinc/68/45/48/1032684548.db2.gz YEQVHOHAXOBPDK-UHFFFAOYSA-N 0 3 376.504 3.632 20 10 GHCDHN CN(C)c1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001204240580 1032685083 /nfs/dbraw/zinc/68/50/83/1032685083.db2.gz ZDEKJWBKTHURBT-UHFFFAOYSA-N 0 3 381.911 3.671 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cnccc2C(F)(F)F)N(C)C)cc1 ZINC000932243409 1018157672 /nfs/dbraw/zinc/15/76/72/1018157672.db2.gz YFCNUWBTHIDPRK-KRWDZBQOSA-N 0 3 395.429 3.591 20 10 GHCDHN CCOC(=O)c1coc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001204328883 1032771418 /nfs/dbraw/zinc/77/14/18/1032771418.db2.gz ROIJVRNQGXCWMB-UHFFFAOYSA-N 0 3 383.492 3.831 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1[O-] ZINC000779009974 1020191201 /nfs/dbraw/zinc/19/12/01/1020191201.db2.gz AAXSBRWJIQVXKK-SWLSCSKDSA-N 0 3 398.272 3.693 20 10 GHCDHN COc1ccccc1OC1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140284987 1021315560 /nfs/dbraw/zinc/31/55/60/1021315560.db2.gz AWUUWKFJOPCMPE-UHFFFAOYSA-N 0 3 396.531 3.700 20 10 GHCDHN CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000835037936 1021794708 /nfs/dbraw/zinc/79/47/08/1021794708.db2.gz ZZAVOFQGIKICCU-DGSRBQDKSA-N 0 3 395.547 3.974 20 10 GHCDHN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(C)ccc1O ZINC001140623683 1022097403 /nfs/dbraw/zinc/09/74/03/1022097403.db2.gz POQLQQJHQVRGDV-LJQANCHMSA-N 0 3 399.487 3.770 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949397 1022969473 /nfs/dbraw/zinc/96/94/73/1022969473.db2.gz AYRKGHRSHLGLFY-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949397 1022969476 /nfs/dbraw/zinc/96/94/76/1022969476.db2.gz AYRKGHRSHLGLFY-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c(OC)c1 ZINC001141031804 1023298490 /nfs/dbraw/zinc/29/84/90/1023298490.db2.gz MCPRLEAMJSJNOL-GJZGRUSLSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c(OC)c1 ZINC001141031804 1023298496 /nfs/dbraw/zinc/29/84/96/1023298496.db2.gz MCPRLEAMJSJNOL-GJZGRUSLSA-N 0 3 394.512 3.535 20 10 GHCDHN COC(=O)c1ccc(C2CN(Cc3cc4c5c(c3)CCCN5CCC4)C2)cc1 ZINC001141078064 1023444015 /nfs/dbraw/zinc/44/40/15/1023444015.db2.gz JISBTEANFWMOBJ-UHFFFAOYSA-N 0 3 376.500 3.771 20 10 GHCDHN Cc1cc(O[C@@H]2CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)ncn1 ZINC001141079236 1023444822 /nfs/dbraw/zinc/44/48/22/1023444822.db2.gz XVYHJUUCCRGKGA-OAQYLSRUSA-N 0 3 378.520 3.527 20 10 GHCDHN Cc1cnc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)nc1 ZINC001141078815 1023445411 /nfs/dbraw/zinc/44/54/11/1023445411.db2.gz KJCGBYKZRVRGNM-UHFFFAOYSA-N 0 3 378.520 3.527 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756459628 1023663010 /nfs/dbraw/zinc/66/30/10/1023663010.db2.gz NMUFUHTYWIGXMK-XVGQJIODSA-N 0 3 384.451 3.987 20 10 GHCDHN COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c(OC)c1OC ZINC000756534923 1023702614 /nfs/dbraw/zinc/70/26/14/1023702614.db2.gz MCFCLJVVIAYWPS-IUODEOHRSA-N 0 3 375.440 3.938 20 10 GHCDHN CN1CCOc2cc(CN3CCC4(CC3)OC(=O)c3cc(Cl)ccc34)ccc21 ZINC001141144843 1023964060 /nfs/dbraw/zinc/96/40/60/1023964060.db2.gz MNXWBTZVJZEEFA-UHFFFAOYSA-N 0 3 398.890 3.830 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)Cc1ccccc1[O-] ZINC001138680913 1025205482 /nfs/dbraw/zinc/20/54/82/1025205482.db2.gz QXWQGMMVGKDQSS-UHFFFAOYSA-N 0 3 391.309 3.623 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCOCC2)c(Br)c1)Cc1ccccc1[O-] ZINC001138680913 1025205490 /nfs/dbraw/zinc/20/54/90/1025205490.db2.gz QXWQGMMVGKDQSS-UHFFFAOYSA-N 0 3 391.309 3.623 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000839538345 1026027868 /nfs/dbraw/zinc/02/78/68/1026027868.db2.gz AKFPMOPWXHBTMS-KRWDZBQOSA-N 0 3 394.471 3.873 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cccc(N2CCN(C)CC2)n1 ZINC001163486118 1026210568 /nfs/dbraw/zinc/21/05/68/1026210568.db2.gz DNURDDUYAJDCOA-QFIPXVFZSA-N 0 3 380.536 3.891 20 10 GHCDHN Cc1cc(CCNCc2c(Br)cnn2C)c(C)n1-c1ccccc1 ZINC001203307217 1027268549 /nfs/dbraw/zinc/26/85/49/1027268549.db2.gz NYDRKGYRIPABCV-UHFFFAOYSA-N 0 3 387.325 3.922 20 10 GHCDHN O=C(NCC1CC1)C1=CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccccc21 ZINC001203557067 1027432861 /nfs/dbraw/zinc/43/28/61/1027432861.db2.gz ZJQPXHPOEWBJIG-UHFFFAOYSA-N 0 3 388.511 3.849 20 10 GHCDHN COc1cccc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c1O ZINC001203595520 1027461588 /nfs/dbraw/zinc/46/15/88/1027461588.db2.gz GZCITDCOMGYJON-UHFFFAOYSA-N 0 3 383.879 3.925 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c([O-])c1 ZINC001203621404 1027484062 /nfs/dbraw/zinc/48/40/62/1027484062.db2.gz DLPYLFMZVRPPDF-ONGXBYRLSA-N 0 3 383.492 3.666 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c([O-])c1 ZINC001203621404 1027484079 /nfs/dbraw/zinc/48/40/79/1027484079.db2.gz DLPYLFMZVRPPDF-ONGXBYRLSA-N 0 3 383.492 3.666 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001203640127 1027500222 /nfs/dbraw/zinc/50/02/22/1027500222.db2.gz SPAJPEVKNQSJND-UHFFFAOYSA-N 0 3 379.342 3.995 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001203640127 1027500232 /nfs/dbraw/zinc/50/02/32/1027500232.db2.gz SPAJPEVKNQSJND-UHFFFAOYSA-N 0 3 379.342 3.995 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cccc(F)c4)C3)C2)cc1 ZINC001203784785 1027602654 /nfs/dbraw/zinc/60/26/54/1027602654.db2.gz CJLQLDGKZABYNE-QHCPKHFHSA-N 0 3 384.495 3.953 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC2)OC(=O)Nc2ncccc23)cc1 ZINC001203941942 1027738599 /nfs/dbraw/zinc/73/85/99/1027738599.db2.gz IIVZVODAHPERAI-UHFFFAOYSA-N 0 3 380.492 3.981 20 10 GHCDHN CC(=O)Nc1ccc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000840757531 1027794200 /nfs/dbraw/zinc/79/42/00/1027794200.db2.gz ARWJZPOYLYLRCY-AWEZNQCLSA-N 0 3 389.446 3.611 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000840947701 1027979043 /nfs/dbraw/zinc/97/90/43/1027979043.db2.gz CRBUTTOFJUDOTQ-LJQANCHMSA-N 0 3 377.326 3.821 20 10 GHCDHN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000841072800 1028092158 /nfs/dbraw/zinc/09/21/58/1028092158.db2.gz HZPXZDQFYKEIQX-DOTOQJQBSA-N 0 3 393.300 3.777 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(Cl)s2)N(C)C)cc1 ZINC001223391661 1030549264 /nfs/dbraw/zinc/54/92/64/1030549264.db2.gz IOMBTUPCNYRTAC-INIZCTEOSA-N 0 3 380.945 3.570 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@H]2COc3cccc(Br)c3C2)cc1F ZINC001461701632 1069688715 /nfs/dbraw/zinc/68/87/15/1069688715.db2.gz IANPWEXTVBQLQY-GFCCVEGCSA-N 0 3 397.263 3.887 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4[nH]cc(C=O)c4c3)c2)CC1 ZINC001153552663 1031644876 /nfs/dbraw/zinc/64/48/76/1031644876.db2.gz HOWJJIIRTJVSJX-UHFFFAOYSA-N 0 3 390.487 3.763 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(CC2CCC2)CC[NH2+]CC1 ZINC001220212542 1031838884 /nfs/dbraw/zinc/83/88/84/1031838884.db2.gz NDOQSYIRHURWOT-UHFFFAOYSA-N 0 3 387.911 3.770 20 10 GHCDHN Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)c([O-])c1 ZINC001206762610 1033974915 /nfs/dbraw/zinc/97/49/15/1033974915.db2.gz OLHXPMAFLHILON-UHFFFAOYSA-N 0 3 376.456 3.522 20 10 GHCDHN COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)cc1C ZINC001207395369 1034340780 /nfs/dbraw/zinc/34/07/80/1034340780.db2.gz WQUAUBCTNRPFGE-INIZCTEOSA-N 0 3 390.867 3.654 20 10 GHCDHN COc1ccc(C2=NO[C@H](CNCc3cc(Cl)cc(OC)c3O)C2)cc1C ZINC001207395369 1034340795 /nfs/dbraw/zinc/34/07/95/1034340795.db2.gz WQUAUBCTNRPFGE-INIZCTEOSA-N 0 3 390.867 3.654 20 10 GHCDHN O=C([C@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1O)N1CCCC1 ZINC001231469118 1034613593 /nfs/dbraw/zinc/61/35/93/1034613593.db2.gz ORPAWANCHICCMS-JOCHJYFZSA-N 0 3 394.515 3.948 20 10 GHCDHN COc1ccc(Br)c(C[NH+]2CCC(c3cccnc3)CC2)c1[O-] ZINC001231556362 1034710332 /nfs/dbraw/zinc/71/03/32/1034710332.db2.gz GVRXFRGKVMBVOZ-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1ccc(Br)c(CN2CCC(c3cccnc3)CC2)c1O ZINC001231556362 1034710345 /nfs/dbraw/zinc/71/03/45/1034710345.db2.gz GVRXFRGKVMBVOZ-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN Oc1ccc2ccccc2c1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001231587602 1034740783 /nfs/dbraw/zinc/74/07/83/1034740783.db2.gz WGXQVERIOJRYDS-ACIOBRDBSA-N 0 3 376.456 3.751 20 10 GHCDHN Cc1cccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1O ZINC001231591898 1034746369 /nfs/dbraw/zinc/74/63/69/1034746369.db2.gz IROHBQVERODZFE-JTHBVZDNSA-N 0 3 382.504 3.684 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ccnc(-c2cccnc2)n1)c1ccccc1O ZINC001160619460 1035018822 /nfs/dbraw/zinc/01/88/22/1035018822.db2.gz ZJJQRYMBFDOOKQ-FGZHOGPDSA-N 0 3 399.454 3.803 20 10 GHCDHN Clc1cc(CN2CCN(CCc3ccccc3)CC2)ccc1N1CCOCC1 ZINC001232202752 1035158809 /nfs/dbraw/zinc/15/88/09/1035158809.db2.gz FZRXTKQJJQTTGZ-UHFFFAOYSA-N 0 3 399.966 3.537 20 10 GHCDHN CC(C)OCCN(CCOC(C)C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202761 1035159956 /nfs/dbraw/zinc/15/99/56/1035159956.db2.gz GESIZCQOUPSKLI-UHFFFAOYSA-N 0 3 398.975 3.829 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1[O-] ZINC001462037401 1069961170 /nfs/dbraw/zinc/96/11/70/1069961170.db2.gz JATRXQIMWNLRML-HNNXBMFYSA-N 0 3 378.266 3.735 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1[O-] ZINC001462037401 1069961177 /nfs/dbraw/zinc/96/11/77/1069961177.db2.gz JATRXQIMWNLRML-HNNXBMFYSA-N 0 3 378.266 3.735 20 10 GHCDHN C[NH+]1CCC(C2CCN(Cc3c([O-])cc(Br)cc3F)CC2)CC1 ZINC001233031818 1038785232 /nfs/dbraw/zinc/78/52/32/1038785232.db2.gz NNTRCCVDOIVXCD-UHFFFAOYSA-N 0 3 385.321 3.848 20 10 GHCDHN CN(C1CC1)[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196153 1038963505 /nfs/dbraw/zinc/96/35/05/1038963505.db2.gz USQRTVMEVYBOTH-INIZCTEOSA-N 0 3 375.310 3.976 20 10 GHCDHN CN(C1CC1)[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196153 1038963506 /nfs/dbraw/zinc/96/35/06/1038963506.db2.gz USQRTVMEVYBOTH-INIZCTEOSA-N 0 3 375.310 3.976 20 10 GHCDHN Oc1cc(O)c(CN2CC[C@@H](OCc3ccc(Cl)cc3Cl)C2)cc1O ZINC001233485141 1039381725 /nfs/dbraw/zinc/38/17/25/1039381725.db2.gz KLVXCANZOAJKDK-CQSZACIVSA-N 0 3 384.259 3.901 20 10 GHCDHN C[C@@](O)(C1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1)C(F)(F)F ZINC001233768049 1039601828 /nfs/dbraw/zinc/60/18/28/1039601828.db2.gz JZPUANUIIBWESE-CQSZACIVSA-N 0 3 387.320 3.816 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)c2c1 ZINC001234525793 1040101888 /nfs/dbraw/zinc/10/18/88/1040101888.db2.gz KBCOMYNIKSZSMH-JXFKEZNVSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)c2c1 ZINC001234525793 1040101898 /nfs/dbraw/zinc/10/18/98/1040101898.db2.gz KBCOMYNIKSZSMH-JXFKEZNVSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001234535545 1040107775 /nfs/dbraw/zinc/10/77/75/1040107775.db2.gz ANZWJINQXORXNC-XZOQPEGZSA-N 0 3 389.499 3.798 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001234535545 1040107785 /nfs/dbraw/zinc/10/77/85/1040107785.db2.gz ANZWJINQXORXNC-XZOQPEGZSA-N 0 3 389.499 3.798 20 10 GHCDHN CCN(CC)C(=O)[C@@H](Oc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC001234660625 1040195380 /nfs/dbraw/zinc/19/53/80/1040195380.db2.gz JOUVYBUYPYMDFD-QHCPKHFHSA-N 0 3 395.547 3.817 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1O ZINC001234996609 1040492386 /nfs/dbraw/zinc/49/23/86/1040492386.db2.gz JJDSXRVJJHXVJG-WOJBJXKFSA-N 0 3 398.503 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1O ZINC001234996609 1040492404 /nfs/dbraw/zinc/49/24/04/1040492404.db2.gz JJDSXRVJJHXVJG-WOJBJXKFSA-N 0 3 398.503 3.519 20 10 GHCDHN COc1cnc(O[C@@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)nc1 ZINC001234998233 1040492766 /nfs/dbraw/zinc/49/27/66/1040492766.db2.gz IOCSBKFLTQNXHW-GOSISDBHSA-N 0 3 377.444 3.511 20 10 GHCDHN COc1cnc(O[C@@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)nc1 ZINC001234998233 1040492780 /nfs/dbraw/zinc/49/27/80/1040492780.db2.gz IOCSBKFLTQNXHW-GOSISDBHSA-N 0 3 377.444 3.511 20 10 GHCDHN CCc1ccc(CN2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c(O)c1 ZINC001236786484 1041891607 /nfs/dbraw/zinc/89/16/07/1041891607.db2.gz DYGLSYMHWCYTKE-BBTUJRGHSA-N 0 3 388.533 3.607 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236788073 1041893881 /nfs/dbraw/zinc/89/38/81/1041893881.db2.gz QLTHAYDXVUPBLU-DEOSSOPVSA-N 0 3 378.516 3.888 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236788073 1041893888 /nfs/dbraw/zinc/89/38/88/1041893888.db2.gz QLTHAYDXVUPBLU-DEOSSOPVSA-N 0 3 378.516 3.888 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789688 1041895945 /nfs/dbraw/zinc/89/59/45/1041895945.db2.gz QIDWMUOBPQQIJW-ZEQRLZLVSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789688 1041895952 /nfs/dbraw/zinc/89/59/52/1041895952.db2.gz QIDWMUOBPQQIJW-ZEQRLZLVSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809283 1041909743 /nfs/dbraw/zinc/90/97/43/1041909743.db2.gz VCQHKGCXUMIQRV-GOEBONIOSA-N 0 3 378.513 3.692 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809283 1041909745 /nfs/dbraw/zinc/90/97/45/1041909745.db2.gz VCQHKGCXUMIQRV-GOEBONIOSA-N 0 3 378.513 3.692 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816309 1041914474 /nfs/dbraw/zinc/91/44/74/1041914474.db2.gz SHIZCYVTWAYEQS-NRFANRHFSA-N 0 3 378.513 3.836 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816309 1041914478 /nfs/dbraw/zinc/91/44/78/1041914478.db2.gz SHIZCYVTWAYEQS-NRFANRHFSA-N 0 3 378.513 3.836 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001237042034 1042001463 /nfs/dbraw/zinc/00/14/63/1042001463.db2.gz DEHBQTTUDQFKLW-HGKCTWBKSA-N 0 3 376.497 3.526 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001237042034 1042001470 /nfs/dbraw/zinc/00/14/70/1042001470.db2.gz DEHBQTTUDQFKLW-HGKCTWBKSA-N 0 3 376.497 3.526 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)c([O-])c1 ZINC001237042432 1042002974 /nfs/dbraw/zinc/00/29/74/1042002974.db2.gz IFWLGRYCAZUYSC-UHFFFAOYSA-N 0 3 386.536 3.796 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(Oc3ncnc4ccccc43)CC2)c([O-])c1 ZINC001237048146 1042007315 /nfs/dbraw/zinc/00/73/15/1042007315.db2.gz QEIITCZHVQZQFL-UHFFFAOYSA-N 0 3 379.460 3.778 20 10 GHCDHN Cc1ccccc1N1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237052461 1042010731 /nfs/dbraw/zinc/01/07/31/1042010731.db2.gz ZWINHBUGXLTMQX-UHFFFAOYSA-N 0 3 380.410 3.964 20 10 GHCDHN CN1CCN(Cc2ccc(OCC(F)(F)F)cc2O)[C@@H](c2ccccc2)C1 ZINC001237052084 1042011174 /nfs/dbraw/zinc/01/11/74/1042011174.db2.gz TUMJSGBDFXGQEP-GOSISDBHSA-N 0 3 380.410 3.822 20 10 GHCDHN COc1cc(O)c(CN2CCC(Oc3ccncc3)CC2)c(Br)c1 ZINC001237061340 1042016176 /nfs/dbraw/zinc/01/61/76/1042016176.db2.gz FPSCBCDLRCPFCM-UHFFFAOYSA-N 0 3 393.281 3.602 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237062058 1042016411 /nfs/dbraw/zinc/01/64/11/1042016411.db2.gz JONBTQCCVJMXDP-CALCHBBNSA-N 0 3 392.421 3.902 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237062058 1042016419 /nfs/dbraw/zinc/01/64/19/1042016419.db2.gz JONBTQCCVJMXDP-CALCHBBNSA-N 0 3 392.421 3.902 20 10 GHCDHN Oc1ccc(C(F)(F)F)cc1CN1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001237135176 1042057212 /nfs/dbraw/zinc/05/72/12/1042057212.db2.gz GGFUCMIVFXPXQO-PKOBYXMFSA-N 0 3 385.426 3.961 20 10 GHCDHN COCCC[N@H+](Cc1c(C)cccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237487328 1042230299 /nfs/dbraw/zinc/23/02/99/1042230299.db2.gz ICKUFMYXGTXJKK-GOSISDBHSA-N 0 3 392.540 3.939 20 10 GHCDHN COCCC[N@@H+](Cc1c(C)cccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237487328 1042230300 /nfs/dbraw/zinc/23/03/00/1042230300.db2.gz ICKUFMYXGTXJKK-GOSISDBHSA-N 0 3 392.540 3.939 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001237488394 1042231162 /nfs/dbraw/zinc/23/11/62/1042231162.db2.gz LFFXBBIDNNSIGJ-PKTZIBPZSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001237488394 1042231164 /nfs/dbraw/zinc/23/11/64/1042231164.db2.gz LFFXBBIDNNSIGJ-PKTZIBPZSA-N 0 3 389.536 3.515 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001237645333 1042301091 /nfs/dbraw/zinc/30/10/91/1042301091.db2.gz KLTUDUNIBZTBKH-QHCPKHFHSA-N 0 3 390.462 3.843 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001237645333 1042301102 /nfs/dbraw/zinc/30/11/02/1042301102.db2.gz KLTUDUNIBZTBKH-QHCPKHFHSA-N 0 3 390.462 3.843 20 10 GHCDHN Cc1cnc(N2CCN(Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)nc1 ZINC001237650992 1042304738 /nfs/dbraw/zinc/30/47/38/1042304738.db2.gz XQTFFIPKZHRCFT-UHFFFAOYSA-N 0 3 378.451 3.619 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1[O-] ZINC001237679730 1042320966 /nfs/dbraw/zinc/32/09/66/1042320966.db2.gz LGOLLOUBKVPCTK-UHFFFAOYSA-N 0 3 390.911 3.814 20 10 GHCDHN Cc1cc(Cl)cc(CN2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1O ZINC001237686344 1042326446 /nfs/dbraw/zinc/32/64/46/1042326446.db2.gz QMDPDLJVAWQZMM-HNAYVOBHSA-N 0 3 388.870 3.840 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1[O-] ZINC001237686344 1042326452 /nfs/dbraw/zinc/32/64/52/1042326452.db2.gz QMDPDLJVAWQZMM-HNAYVOBHSA-N 0 3 388.870 3.840 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1[O-] ZINC001237686344 1042326456 /nfs/dbraw/zinc/32/64/56/1042326456.db2.gz QMDPDLJVAWQZMM-HNAYVOBHSA-N 0 3 388.870 3.840 20 10 GHCDHN Cc1cc(Cl)cc(CN2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001237688323 1042327986 /nfs/dbraw/zinc/32/79/86/1042327986.db2.gz HGJSUCSKVUDKIF-CYBMUJFWSA-N 0 3 387.789 3.816 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c1[O-] ZINC001238060589 1042479014 /nfs/dbraw/zinc/47/90/14/1042479014.db2.gz JNIAUNPUFKBAHT-UHFFFAOYSA-N 0 3 382.479 3.637 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1[O-] ZINC001238060324 1042479018 /nfs/dbraw/zinc/47/90/18/1042479018.db2.gz GXIMYSNHEGMNEI-LJQANCHMSA-N 0 3 377.500 3.885 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC001238065234 1042480671 /nfs/dbraw/zinc/48/06/71/1042480671.db2.gz SRRSPAQHQHIQQS-NVXWUHKLSA-N 0 3 396.478 3.915 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC001238065234 1042480673 /nfs/dbraw/zinc/48/06/73/1042480673.db2.gz SRRSPAQHQHIQQS-NVXWUHKLSA-N 0 3 396.478 3.915 20 10 GHCDHN O=C(c1ccc([O-])c(O)c1Cl)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001279524274 1047832347 /nfs/dbraw/zinc/83/23/47/1047832347.db2.gz JLPQAKXZWIEXRL-FQEVSTJZSA-N 0 3 378.900 3.622 20 10 GHCDHN O=C(c1ccc([O-])c(O)c1Cl)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279524274 1047832356 /nfs/dbraw/zinc/83/23/56/1047832356.db2.gz JLPQAKXZWIEXRL-FQEVSTJZSA-N 0 3 378.900 3.622 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCc3ccccc32)N(C)C)cc1 ZINC001289602277 1049557340 /nfs/dbraw/zinc/55/73/40/1049557340.db2.gz NFGZCBGPFSNHSH-CVDCTZTESA-N 0 3 379.548 3.982 20 10 GHCDHN C/C=C\COc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001289601786 1049557642 /nfs/dbraw/zinc/55/76/42/1049557642.db2.gz DOAIVFCLKROTPF-FUMRIQNTSA-N 0 3 395.547 3.669 20 10 GHCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2ccccc2Br)cc1 ZINC001307896399 1049674600 /nfs/dbraw/zinc/67/46/00/1049674600.db2.gz ARZYZWHZXTZTBN-IBGZPJMESA-N 0 3 393.325 3.559 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CCCOc4c(F)cccc43)cc2F)CC1 ZINC001308352031 1049955928 /nfs/dbraw/zinc/95/59/28/1049955928.db2.gz DBCYJQBXLNTGFU-HXUWFJFHSA-N 0 3 387.474 3.720 20 10 GHCDHN C[C@H](c1ccccc1F)N1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC001308413947 1049970507 /nfs/dbraw/zinc/97/05/07/1049970507.db2.gz ICZZBGVSXYAMEK-IERDGZPVSA-N 0 3 382.479 3.993 20 10 GHCDHN CN(C)c1ccc(/C=C\CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC001308422850 1049972821 /nfs/dbraw/zinc/97/28/21/1049972821.db2.gz SAWBLBCDKMANPT-LLHWWHOWSA-N 0 3 375.310 3.852 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ncc(-c4ccccc4)s3)cc2)CC1 ZINC001308502920 1049992340 /nfs/dbraw/zinc/99/23/40/1049992340.db2.gz ADEQHWXLARFYPW-UHFFFAOYSA-N 0 3 378.545 3.852 20 10 GHCDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC001308631423 1050041434 /nfs/dbraw/zinc/04/14/34/1050041434.db2.gz MRANIYROUGEZGZ-JTDSTZFVSA-N 0 3 399.501 3.845 20 10 GHCDHN CCN(C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@H]1CCN(C)C1 ZINC001312587432 1052801077 /nfs/dbraw/zinc/80/10/77/1052801077.db2.gz YYVTVGHFHNPHNU-AEFFLSMTSA-N 0 3 392.975 3.812 20 10 GHCDHN CC[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC(F)(F)F ZINC001312879597 1052901328 /nfs/dbraw/zinc/90/13/28/1052901328.db2.gz OZRMDPAEUUZJKU-WMLDXEAASA-N 0 3 388.478 3.633 20 10 GHCDHN CC[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC(F)(F)F ZINC001312879596 1052901490 /nfs/dbraw/zinc/90/14/90/1052901490.db2.gz OZRMDPAEUUZJKU-RHSMWYFYSA-N 0 3 388.478 3.633 20 10 GHCDHN Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001312952875 1052919800 /nfs/dbraw/zinc/91/98/00/1052919800.db2.gz KWUWMFWRWUPHBQ-FCHUYYIVSA-N 0 3 380.536 3.650 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(OCc4ccccc4)CC3)cc2F)CC1 ZINC001319689306 1055398529 /nfs/dbraw/zinc/39/85/29/1055398529.db2.gz QOIZXOOZQWECDP-UHFFFAOYSA-N 0 3 397.538 3.759 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCC3)cc2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC001323189155 1056935946 /nfs/dbraw/zinc/93/59/46/1056935946.db2.gz FCBVISUJZNXSIX-WWNPGLIZSA-N 0 3 375.516 3.533 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1[O-] ZINC000848526430 1057148985 /nfs/dbraw/zinc/14/89/85/1057148985.db2.gz XBJSSJPJYBMPJV-RISCZKNCSA-N 0 3 378.266 3.818 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c1[O-] ZINC000848525566 1057149646 /nfs/dbraw/zinc/14/96/46/1057149646.db2.gz NUYUUPZAPUGALZ-CYBMUJFWSA-N 0 3 391.309 3.830 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@@H](CO)c2ccc(F)cc2)c1O ZINC000848532888 1057154262 /nfs/dbraw/zinc/15/42/62/1057154262.db2.gz CTNVPJSROSHNFS-BONVTDFDSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000848553381 1057174094 /nfs/dbraw/zinc/17/40/94/1057174094.db2.gz LEEFJJXSGXSVOQ-ABAIWWIYSA-N 0 3 398.272 3.557 20 10 GHCDHN Cc1cccnc1CNC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001325243543 1057297208 /nfs/dbraw/zinc/29/72/08/1057297208.db2.gz ZVZPSJFNODFVIJ-FQEVSTJZSA-N 0 3 384.524 3.812 20 10 GHCDHN COc1cc(Cl)c(F)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001439959363 1058365554 /nfs/dbraw/zinc/36/55/54/1058365554.db2.gz DJVMFSBZRRJSJA-GOSISDBHSA-N 0 3 393.890 3.586 20 10 GHCDHN COc1ccc(N(C)CCN(C)C(=O)c2ccc(NC3=NCCC3)cc2)cc1 ZINC001452836607 1061029529 /nfs/dbraw/zinc/02/95/29/1061029529.db2.gz NTWVAFGESIZWBS-UHFFFAOYSA-N 0 3 380.492 3.508 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)N2CCCC2)cc1 ZINC001464590470 1065099081 /nfs/dbraw/zinc/09/90/81/1065099081.db2.gz ZSVJQGHDZCXCIW-LJQANCHMSA-N 0 3 379.464 3.724 20 10 GHCDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@H]1N(C)C ZINC001466550101 1066187765 /nfs/dbraw/zinc/18/77/65/1066187765.db2.gz OFPUWCJEULVMKT-RTBURBONSA-N 0 3 391.968 3.865 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nc(C)cs1 ZINC001468686395 1067823991 /nfs/dbraw/zinc/82/39/91/1067823991.db2.gz OLHFREQIBTVWGL-MSOLQXFVSA-N 0 3 389.569 3.571 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](c3ccccc3F)C2)N(C)C)cc1 ZINC001471546881 1073126085 /nfs/dbraw/zinc/12/60/85/1073126085.db2.gz GTHXZEJMRLWXTK-XMSQKQJNSA-N 0 3 398.526 3.694 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)N(C)C)cc1 ZINC001479533549 1079224174 /nfs/dbraw/zinc/22/41/74/1079224174.db2.gz JANOXGJHROWACP-NHCUHLMSSA-N 0 3 395.551 3.543 20 10 GHCDHN CCOC(=O)N1CCC(C)(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC001474404039 1074389299 /nfs/dbraw/zinc/38/92/99/1074389299.db2.gz WYOLEQADCRESHF-IBGZPJMESA-N 0 3 390.524 3.632 20 10 GHCDHN CCOC(=O)N1CCC(C)(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC001474404039 1074389305 /nfs/dbraw/zinc/38/93/05/1074389305.db2.gz WYOLEQADCRESHF-IBGZPJMESA-N 0 3 390.524 3.632 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1[O-] ZINC001474585711 1074472540 /nfs/dbraw/zinc/47/25/40/1074472540.db2.gz BQHJCTJRWBKNNH-OAHLLOKOSA-N 0 3 378.266 3.783 20 10 GHCDHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC001653073517 1126253791 /nfs/dbraw/zinc/25/37/91/1126253791.db2.gz WKBKKOTUPBYBRN-IBGZPJMESA-N 0 3 394.309 3.555 20 10 GHCDHN Oc1ccc2cc(Br)ccc2c1CN1CCN(CC(F)F)CC1 ZINC000748078522 835357558 /nfs/dbraw/zinc/35/75/58/835357558.db2.gz XVWQCDWYJCCRIH-UHFFFAOYSA-N 0 3 385.252 3.691 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000725850970 836420201 /nfs/dbraw/zinc/42/02/01/836420201.db2.gz HQDUXNXNLAOSSV-MRXNPFEDSA-N 0 3 383.492 3.508 20 10 GHCDHN CN1CCN(c2ccc(CNc3nccc4c5c([nH]c43)CCCC5)cc2)CC1 ZINC001167431156 840033875 /nfs/dbraw/zinc/03/38/75/840033875.db2.gz JWCHAKKIPXODTE-UHFFFAOYSA-N 0 3 375.520 3.806 20 10 GHCDHN CCOC(=O)c1csc(C2CCN(Cc3cc(OC)c(C)cc3O)CC2)n1 ZINC000191279865 841504614 /nfs/dbraw/zinc/50/46/14/841504614.db2.gz CCDSLFPTUYBTIB-UHFFFAOYSA-N 0 3 390.505 3.722 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(OC(F)F)c(OC)c2)c(O)c1OC ZINC000891480796 842174800 /nfs/dbraw/zinc/17/48/00/842174800.db2.gz ULEKYSARHZLGIM-UHFFFAOYSA-N 0 3 383.391 3.651 20 10 GHCDHN COc1ccc(CN[C@@H]2CCOc3c(Br)cccc32)c(O)c1OC ZINC000894258492 846203204 /nfs/dbraw/zinc/20/32/04/846203204.db2.gz SVVFZOSPUMJNAT-CQSZACIVSA-N 0 3 394.265 3.785 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C)cc1[O-] ZINC000280026458 846267177 /nfs/dbraw/zinc/26/71/77/846267177.db2.gz HSDQLTWUFCREBR-GOSISDBHSA-N 0 3 392.496 3.621 20 10 GHCDHN CN(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1ccccc1 ZINC000171169819 861743213 /nfs/dbraw/zinc/74/32/13/861743213.db2.gz FPNLPJLGOIUCLL-UHFFFAOYSA-N 0 3 393.487 3.829 20 10 GHCDHN C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000273197034 847271178 /nfs/dbraw/zinc/27/11/78/847271178.db2.gz HXINRBXZKDOWEX-CVDCTZTESA-N 0 3 392.547 3.914 20 10 GHCDHN CCOc1cccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1O ZINC000158723193 848017376 /nfs/dbraw/zinc/01/73/76/848017376.db2.gz XRIHMVLHCXMGSJ-UHFFFAOYSA-N 0 3 380.488 3.848 20 10 GHCDHN CCOCc1ccc(CNC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847440 861906743 /nfs/dbraw/zinc/90/67/43/861906743.db2.gz KOEVONSGFPLXFS-UHFFFAOYSA-N 0 3 396.531 3.990 20 10 GHCDHN CCOCc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847440 861906751 /nfs/dbraw/zinc/90/67/51/861906751.db2.gz KOEVONSGFPLXFS-UHFFFAOYSA-N 0 3 396.531 3.990 20 10 GHCDHN CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000161539651 849098944 /nfs/dbraw/zinc/09/89/44/849098944.db2.gz GHVYJDHDUVLKBY-IERDGZPVSA-N 0 3 389.565 3.805 20 10 GHCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000437005397 852600813 /nfs/dbraw/zinc/60/08/13/852600813.db2.gz FSKJGZOANXQMGH-SFHVURJKSA-N 0 3 397.494 3.529 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000151120675 853090582 /nfs/dbraw/zinc/09/05/82/853090582.db2.gz RTFAINJMWFSPFP-RBUKOAKNSA-N 0 3 392.293 3.688 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000151120675 853090588 /nfs/dbraw/zinc/09/05/88/853090588.db2.gz RTFAINJMWFSPFP-RBUKOAKNSA-N 0 3 392.293 3.688 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000765817022 855072203 /nfs/dbraw/zinc/07/22/03/855072203.db2.gz ZWMXQNQCXZCCSC-VGSWGCGISA-N 0 3 388.515 3.739 20 10 GHCDHN Cc1ccsc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000139817555 856089429 /nfs/dbraw/zinc/08/94/29/856089429.db2.gz GFMTUDMSJWIOQH-UHFFFAOYSA-N 0 3 397.523 3.602 20 10 GHCDHN CCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1O ZINC000733334295 862877199 /nfs/dbraw/zinc/87/71/99/862877199.db2.gz FCPOMWSPBCGFIR-GOSISDBHSA-N 0 3 390.911 3.904 20 10 GHCDHN Cc1c2ccccc2oc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765980335 859347270 /nfs/dbraw/zinc/34/72/70/859347270.db2.gz YXSKPBDBOORYJY-KRWDZBQOSA-N 0 3 398.528 3.827 20 10 GHCDHN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760597531 859499198 /nfs/dbraw/zinc/49/91/98/859499198.db2.gz LPVCIODGIZBYFM-JOCHJYFZSA-N 0 3 380.536 3.559 20 10 GHCDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765253723 859867831 /nfs/dbraw/zinc/86/78/31/859867831.db2.gz LKLNPXSUDHJVAW-PKOBYXMFSA-N 0 3 381.520 3.556 20 10 GHCDHN COc1ccc(N2CCN(CCN[C@H](C)c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000765403924 859956320 /nfs/dbraw/zinc/95/63/20/859956320.db2.gz XFWBVPHKFYMANP-OAHLLOKOSA-N 0 3 393.453 3.585 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000727170682 859982514 /nfs/dbraw/zinc/98/25/14/859982514.db2.gz ZNSTYHXITLPMLH-INIZCTEOSA-N 0 3 375.310 3.978 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000727170682 859982519 /nfs/dbraw/zinc/98/25/19/859982519.db2.gz ZNSTYHXITLPMLH-INIZCTEOSA-N 0 3 375.310 3.978 20 10 GHCDHN [O-]c1c(CNc2ncc(F)c(C3CC[NH2+]CC3)n2)cc(Cl)c2cccnc12 ZINC001168528540 860879833 /nfs/dbraw/zinc/87/98/33/860879833.db2.gz VBGDPRAQYXNUIC-UHFFFAOYSA-N 0 3 387.846 3.602 20 10 GHCDHN C[C@@H]1CN(CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000763663645 864165142 /nfs/dbraw/zinc/16/51/42/864165142.db2.gz WVLQIBQNVZLGAO-LJQANCHMSA-N 0 3 384.520 3.562 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000734521844 864275275 /nfs/dbraw/zinc/27/52/75/864275275.db2.gz HZDLIEDZFGFXLS-UHFFFAOYSA-N 0 3 394.563 3.697 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000792840660 881747628 /nfs/dbraw/zinc/74/76/28/881747628.db2.gz JFBKFRHTSNEAID-IEBWSBKVSA-N 0 3 396.457 3.593 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000747099315 881883217 /nfs/dbraw/zinc/88/32/17/881883217.db2.gz APAWPGXLHMRXPR-JOCHJYFZSA-N 0 3 380.536 3.697 20 10 GHCDHN C[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])NC(=O)OC(C)(C)C ZINC000793217283 882016042 /nfs/dbraw/zinc/01/60/42/882016042.db2.gz KTNXTCJUHDQVFH-MRXNPFEDSA-N 0 3 386.492 3.974 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742374087 867267066 /nfs/dbraw/zinc/26/70/66/867267066.db2.gz INDQJGGTSSAJTL-QHCPKHFHSA-N 0 3 399.494 3.987 20 10 GHCDHN O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742374609 867269379 /nfs/dbraw/zinc/26/93/79/867269379.db2.gz AAWQTUSWXTVXAM-UHFFFAOYSA-N 0 3 388.467 3.965 20 10 GHCDHN COc1cc([C@@H](C)NCc2c(C)c3ccccc3n2C)ccc1S(C)(=O)=O ZINC000479436819 867751183 /nfs/dbraw/zinc/75/11/83/867751183.db2.gz KMAYIJSIGQGHGX-OAHLLOKOSA-N 0 3 386.517 3.750 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c([O-])c1 ZINC000793386798 882162187 /nfs/dbraw/zinc/16/21/87/882162187.db2.gz ZYWOHDFFDXAOKV-UHFFFAOYSA-N 0 3 394.265 3.614 20 10 GHCDHN CCc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920870889 882427223 /nfs/dbraw/zinc/42/72/23/882427223.db2.gz UGLIVAFFQKEDJD-ZWKOTPCHSA-N 0 3 381.520 3.763 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000182327414 872214640 /nfs/dbraw/zinc/21/46/40/872214640.db2.gz IFPABVUNZSTXFN-CYBMUJFWSA-N 0 3 399.516 3.892 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000182352596 872253821 /nfs/dbraw/zinc/25/38/21/872253821.db2.gz SBIHRNIMHMMSBE-MRXNPFEDSA-N 0 3 383.492 3.680 20 10 GHCDHN COc1ccc2c(c1)[C@@H](NCc1cc(Br)cc(OC)c1O)CCO2 ZINC000767189463 872316905 /nfs/dbraw/zinc/31/69/05/872316905.db2.gz OCCAWHCLKNKPPI-HNNXBMFYSA-N 0 3 394.265 3.785 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000182425172 872324041 /nfs/dbraw/zinc/32/40/41/872324041.db2.gz WEGPSPRBPZASDY-HUUCEWRRSA-N 0 3 386.517 3.969 20 10 GHCDHN COc1cc(O)c(CN2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000775654271 872388551 /nfs/dbraw/zinc/38/85/51/872388551.db2.gz WDCMLLAMQIPCNP-GOEBONIOSA-N 0 3 394.512 3.677 20 10 GHCDHN COc1cc(O)c(CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000775654273 872389809 /nfs/dbraw/zinc/38/98/09/872389809.db2.gz WDCMLLAMQIPCNP-ZBFHGGJFSA-N 0 3 394.512 3.677 20 10 GHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000767509821 872581148 /nfs/dbraw/zinc/58/11/48/872581148.db2.gz IABJMYBPHOKVIW-GOSISDBHSA-N 0 3 375.431 3.921 20 10 GHCDHN O=C(c1ccc(Cl)cc1)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440994 873304600 /nfs/dbraw/zinc/30/46/00/873304600.db2.gz CCQSJFBFKFSSGT-IBGZPJMESA-N 0 3 387.863 3.566 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000768881263 873643467 /nfs/dbraw/zinc/64/34/67/873643467.db2.gz HXONXNUGMSJBTO-UHFFFAOYSA-N 0 3 387.455 3.716 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000768949058 873727339 /nfs/dbraw/zinc/72/73/39/873727339.db2.gz CKQNYHGFFYNXHZ-DYESRHJHSA-N 0 3 399.535 3.918 20 10 GHCDHN CCOc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833874 874318801 /nfs/dbraw/zinc/31/88/01/874318801.db2.gz GVTSKDAQPKZVBI-IAGOWNOFSA-N 0 3 399.535 3.688 20 10 GHCDHN C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775834165 874344112 /nfs/dbraw/zinc/34/41/12/874344112.db2.gz KXGJBTDRZXFHDX-AWEZNQCLSA-N 0 3 383.414 3.587 20 10 GHCDHN CCc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1[N+](=O)[O-] ZINC000770143087 874494977 /nfs/dbraw/zinc/49/49/77/874494977.db2.gz KBTNDOFFMFWKFS-UHFFFAOYSA-N 0 3 382.464 3.551 20 10 GHCDHN COc1c(Cl)cccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001198985298 874738472 /nfs/dbraw/zinc/73/84/72/874738472.db2.gz NABPQFHUTAGLHU-GOSISDBHSA-N 0 3 390.915 3.839 20 10 GHCDHN C[C@H]1CN(c2ccc(CNCc3ccc4c(c3)ncn4C)cc2F)C[C@H](C)O1 ZINC001199414015 874976885 /nfs/dbraw/zinc/97/68/85/874976885.db2.gz TXQUVYURPCJLIZ-HOTGVXAUSA-N 0 3 382.483 3.616 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000776174510 875691659 /nfs/dbraw/zinc/69/16/59/875691659.db2.gz CKBMEBZWLUIQLB-KRWDZBQOSA-N 0 3 386.236 3.739 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)cc1)CCC2 ZINC000850568427 877036387 /nfs/dbraw/zinc/03/63/87/877036387.db2.gz XKBOWUKDSCKAIP-JOCHJYFZSA-N 0 3 381.476 3.723 20 10 GHCDHN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000181012290 883116670 /nfs/dbraw/zinc/11/66/70/883116670.db2.gz LGFXVDWLPFNNLJ-LBPRGKRZSA-N 0 3 387.281 3.895 20 10 GHCDHN Cc1cc(C)c([C@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(O)c1 ZINC000788564667 878158652 /nfs/dbraw/zinc/15/86/52/878158652.db2.gz SYNUYWGQIRZOLB-INIZCTEOSA-N 0 3 390.549 3.937 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H]3CCc4ccc(Cl)nc43)cc2F)CC1 ZINC000788592365 878192488 /nfs/dbraw/zinc/19/24/88/878192488.db2.gz BTTDVGJCODTFLO-GOSISDBHSA-N 0 3 388.918 3.793 20 10 GHCDHN COC(=O)C[C@](C)(NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccncc1 ZINC000825548091 878487558 /nfs/dbraw/zinc/48/75/58/878487558.db2.gz BKHGPZGXEUCPGP-QFIPXVFZSA-N 0 3 386.492 3.661 20 10 GHCDHN C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000068530716 878684728 /nfs/dbraw/zinc/68/47/28/878684728.db2.gz SFYHTLZKLSBAGG-LJQANCHMSA-N 0 3 393.531 3.610 20 10 GHCDHN COC(=O)NC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000853625124 879180887 /nfs/dbraw/zinc/18/08/87/879180887.db2.gz PQNBPBJUYRKBAW-UHFFFAOYSA-N 0 3 393.281 3.628 20 10 GHCDHN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1F ZINC000746866318 879367512 /nfs/dbraw/zinc/36/75/12/879367512.db2.gz ISVRSONGVLSFTL-SFHVURJKSA-N 0 3 387.474 3.559 20 10 GHCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000790456537 879738984 /nfs/dbraw/zinc/73/89/84/879738984.db2.gz YXEZPKCQBQNOOY-HNNXBMFYSA-N 0 3 389.293 3.505 20 10 GHCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000790456537 879738997 /nfs/dbraw/zinc/73/89/97/879738997.db2.gz YXEZPKCQBQNOOY-HNNXBMFYSA-N 0 3 389.293 3.505 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000181179498 880062349 /nfs/dbraw/zinc/06/23/49/880062349.db2.gz IQEGQZASJPDDHG-GHTZIAJQSA-N 0 3 395.551 3.647 20 10 GHCDHN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000103510008 881243764 /nfs/dbraw/zinc/24/37/64/881243764.db2.gz JBFCKSJQRUTQHR-KDOFPFPSSA-N 0 3 391.537 3.906 20 10 GHCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000858520359 883170791 /nfs/dbraw/zinc/17/07/91/883170791.db2.gz RKRJUWMQKSKSSK-XHDPSFHLSA-N 0 3 378.831 3.649 20 10 GHCDHN C[C@H]1[C@@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1 ZINC000806958487 885113545 /nfs/dbraw/zinc/11/35/45/885113545.db2.gz IROCSZRXPWEAQP-RDJZCZTQSA-N 0 3 390.578 3.588 20 10 GHCDHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c(O)c1O ZINC001170525965 885482540 /nfs/dbraw/zinc/48/25/40/885482540.db2.gz NHMNRWVXXWKFSL-OAHLLOKOSA-N 0 3 383.275 3.746 20 10 GHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000747424836 885710972 /nfs/dbraw/zinc/71/09/72/885710972.db2.gz PUSSBZMGZWJVJU-UHFFFAOYSA-N 0 3 389.565 3.775 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4nc(C)sc4c3)c2)CC1 ZINC000762276719 885920920 /nfs/dbraw/zinc/92/09/20/885920920.db2.gz NOSUMEREZRKOMH-UHFFFAOYSA-N 0 3 380.517 3.999 20 10 GHCDHN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])c[nH]1 ZINC000862527052 886428218 /nfs/dbraw/zinc/42/82/18/886428218.db2.gz JUSPDUIMGDURGA-OFNKIYASSA-N 0 3 392.455 3.692 20 10 GHCDHN COc1ccc([C@@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)cc1F ZINC000862540324 886451624 /nfs/dbraw/zinc/45/16/24/886451624.db2.gz CJQQKXIZPMQLCK-GOSISDBHSA-N 0 3 388.458 3.800 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1[O-] ZINC000762613992 886537973 /nfs/dbraw/zinc/53/79/73/886537973.db2.gz LWMQRWZFDSVZAQ-OSAQELSMSA-N 0 3 390.368 3.633 20 10 GHCDHN COc1cc(C)c(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)c([O-])c1 ZINC001184197974 913066751 /nfs/dbraw/zinc/06/67/51/913066751.db2.gz UJGJVROUWTXNGR-UHFFFAOYSA-N 0 3 395.421 3.824 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1[O-] ZINC000808679660 886679253 /nfs/dbraw/zinc/67/92/53/886679253.db2.gz WKULAXUIUKOVIV-AWEZNQCLSA-N 0 3 396.940 3.892 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(N(C)C)cc1 ZINC000794564685 887392258 /nfs/dbraw/zinc/39/22/58/887392258.db2.gz GPDDGQWXXZQRIE-CVEARBPZSA-N 0 3 377.492 3.821 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000794564691 887392374 /nfs/dbraw/zinc/39/23/74/887392374.db2.gz GPDDGQWXXZQRIE-JKSUJKDBSA-N 0 3 377.492 3.821 20 10 GHCDHN CN(C)c1ccc(CNCc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000119740804 887483329 /nfs/dbraw/zinc/48/33/29/887483329.db2.gz SKBXVPJYSVQVDM-UHFFFAOYSA-N 0 3 386.297 3.590 20 10 GHCDHN CN(C)c1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)cc1 ZINC000119740804 887483338 /nfs/dbraw/zinc/48/33/38/887483338.db2.gz SKBXVPJYSVQVDM-UHFFFAOYSA-N 0 3 386.297 3.590 20 10 GHCDHN CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C)cc1[O-] ZINC000794801630 888073752 /nfs/dbraw/zinc/07/37/52/888073752.db2.gz ANWCTHWXARXHDZ-OAQYLSRUSA-N 0 3 399.510 3.619 20 10 GHCDHN COc1ccc(C(=O)C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000124014618 891223185 /nfs/dbraw/zinc/22/31/85/891223185.db2.gz YRTMNHSKULSFHJ-UHFFFAOYSA-N 0 3 394.515 3.627 20 10 GHCDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000873022739 891433513 /nfs/dbraw/zinc/43/35/13/891433513.db2.gz XYKVIVYCTQLLJD-UHFFFAOYSA-N 0 3 383.492 3.710 20 10 GHCDHN COc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1Cn1cccn1 ZINC000873098677 891470680 /nfs/dbraw/zinc/47/06/80/891470680.db2.gz UGOQKVBRSZQMTO-CHAGWJKLSA-N 0 3 383.517 3.528 20 10 GHCDHN CC(C)Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N(C)C)cc1 ZINC000813752675 891923361 /nfs/dbraw/zinc/92/33/61/891923361.db2.gz LOJQESXVUSKRKZ-GPVYEGESSA-N 0 3 382.504 3.729 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000917417027 891956059 /nfs/dbraw/zinc/95/60/59/891956059.db2.gz GDBBLZPICWWMMK-UHFFFAOYSA-N 0 3 384.911 3.825 20 10 GHCDHN Cn1cnc2cc(C[NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)ccc21 ZINC000774814062 913618414 /nfs/dbraw/zinc/61/84/14/913618414.db2.gz GLBAONAIGUDCOK-SFHVURJKSA-N 0 3 384.911 3.687 20 10 GHCDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876796228 893331575 /nfs/dbraw/zinc/33/15/75/893331575.db2.gz YRCVBGLWSYSOGP-CRYYWNKWSA-N 0 3 386.561 3.578 20 10 GHCDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876796225 893331872 /nfs/dbraw/zinc/33/18/72/893331872.db2.gz YRCVBGLWSYSOGP-CBZJRKILSA-N 0 3 386.561 3.578 20 10 GHCDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876796230 893332550 /nfs/dbraw/zinc/33/25/50/893332550.db2.gz YRCVBGLWSYSOGP-SOKVYYICSA-N 0 3 386.561 3.578 20 10 GHCDHN O=C(Nc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1)C1CCC1 ZINC000876915041 893385438 /nfs/dbraw/zinc/38/54/38/893385438.db2.gz KHKIBOLQGQZELU-UHFFFAOYSA-N 0 3 393.531 3.676 20 10 GHCDHN CC[C@H](C)C(=O)Nc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876954479 893404875 /nfs/dbraw/zinc/40/48/75/893404875.db2.gz ISDSSHYVNZALDI-SFHVURJKSA-N 0 3 395.547 3.922 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)N(C)C)cc1 ZINC001134882021 893505539 /nfs/dbraw/zinc/50/55/39/893505539.db2.gz KIAPQWNSOVQQPP-LEWJYISDSA-N 0 3 395.547 3.816 20 10 GHCDHN COc1cc(Br)cc(CN2CCN(C)Cc3ccccc32)c1O ZINC000816618022 894977408 /nfs/dbraw/zinc/97/74/08/894977408.db2.gz NSXJGRXVQADVGB-UHFFFAOYSA-N 0 3 377.282 3.615 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1[O-] ZINC000879647423 895201478 /nfs/dbraw/zinc/20/14/78/895201478.db2.gz BUYVQARSBPETEA-APWZRJJASA-N 0 3 396.487 3.568 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941063 895971140 /nfs/dbraw/zinc/97/11/40/895971140.db2.gz IKVKNVORLZIUGO-SJKOYZFVSA-N 0 3 378.314 3.571 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817971881 895988123 /nfs/dbraw/zinc/98/81/23/895988123.db2.gz QMUUEEYKFSRYRH-VYUIOLGVSA-N 0 3 392.135 3.566 20 10 GHCDHN COc1ccc(N2CC[C@@H](CN[C@@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000818342076 896121371 /nfs/dbraw/zinc/12/13/71/896121371.db2.gz LGQVRMMSGSCUOV-GAJHUEQPSA-N 0 3 394.494 3.773 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@@H](O)c3c(F)cccc3F)cc2F)C[C@@H](C)O1 ZINC000818966032 896271638 /nfs/dbraw/zinc/27/16/38/896271638.db2.gz HLMBIIXCPXICQN-ARGWCVDVSA-N 0 3 394.437 3.541 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000805746298 897292592 /nfs/dbraw/zinc/29/25/92/897292592.db2.gz VHYLWPHVQCUCPD-PMACEKPBSA-N 0 3 375.896 3.630 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000805746298 897292603 /nfs/dbraw/zinc/29/26/03/897292603.db2.gz VHYLWPHVQCUCPD-PMACEKPBSA-N 0 3 375.896 3.630 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000883290066 897454471 /nfs/dbraw/zinc/45/44/71/897454471.db2.gz JULQLFUYQPVQOD-DEOSSOPVSA-N 0 3 390.506 3.852 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1[O-] ZINC000822526297 898410943 /nfs/dbraw/zinc/41/09/43/898410943.db2.gz SBNUEWCCXQHKMZ-GOSISDBHSA-N 0 3 398.341 3.511 20 10 GHCDHN COC[C@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000824507244 899675090 /nfs/dbraw/zinc/67/50/90/899675090.db2.gz FVFYVRLLRKHEFX-AVRDEDQJSA-N 0 3 385.504 3.987 20 10 GHCDHN COC[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000824507244 899675096 /nfs/dbraw/zinc/67/50/96/899675096.db2.gz FVFYVRLLRKHEFX-AVRDEDQJSA-N 0 3 385.504 3.987 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CCCO1 ZINC000824508782 899679026 /nfs/dbraw/zinc/67/90/26/899679026.db2.gz UIIFLESQVGDELJ-YADHBBJMSA-N 0 3 383.488 3.741 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CCCO1 ZINC000824508782 899679029 /nfs/dbraw/zinc/67/90/29/899679029.db2.gz UIIFLESQVGDELJ-YADHBBJMSA-N 0 3 383.488 3.741 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H](C)Cc2c(OC)cc(OC)cc2OC)c([O-])c1 ZINC000824733322 899791712 /nfs/dbraw/zinc/79/17/12/899791712.db2.gz OCLNNAZUIWVXOG-AWEZNQCLSA-N 0 3 375.465 3.538 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124183 899993885 /nfs/dbraw/zinc/99/38/85/899993885.db2.gz JSNZQHKOPFLFGE-APWZRJJASA-N 0 3 381.394 3.716 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124183 899993895 /nfs/dbraw/zinc/99/38/95/899993895.db2.gz JSNZQHKOPFLFGE-APWZRJJASA-N 0 3 381.394 3.716 20 10 GHCDHN COCCN(Cc1ccc(F)c(Cl)c1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000825275404 900087540 /nfs/dbraw/zinc/08/75/40/900087540.db2.gz LGLXVNRJXCCBGG-UHFFFAOYSA-N 0 3 398.818 3.750 20 10 GHCDHN COc1c(F)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC001143847313 900590470 /nfs/dbraw/zinc/59/04/70/900590470.db2.gz HZOKVBYTBVJCHP-UHFFFAOYSA-N 0 3 378.875 3.956 20 10 GHCDHN NS(=O)(=O)c1cc(Cl)cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000844298095 900686229 /nfs/dbraw/zinc/68/62/29/900686229.db2.gz WKYRGAFNHYOBRV-UHFFFAOYSA-N 0 3 394.924 3.638 20 10 GHCDHN NS(=O)(=O)c1cc(Cl)cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000844298095 900686238 /nfs/dbraw/zinc/68/62/38/900686238.db2.gz WKYRGAFNHYOBRV-UHFFFAOYSA-N 0 3 394.924 3.638 20 10 GHCDHN CCOc1ccccc1[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746851 901251065 /nfs/dbraw/zinc/25/10/65/901251065.db2.gz DPVGNEKRIYRLQD-KRWDZBQOSA-N 0 3 381.520 3.638 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000886749023 901254043 /nfs/dbraw/zinc/25/40/43/901254043.db2.gz GTUOIUORFGZQGS-NRFANRHFSA-N 0 3 397.494 3.531 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000779007717 902724632 /nfs/dbraw/zinc/72/46/32/902724632.db2.gz YXRCFBJGGXROAP-QLFBSQMISA-N 0 3 385.346 3.613 20 10 GHCDHN C[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129496124 902817658 /nfs/dbraw/zinc/81/76/58/902817658.db2.gz UGQLHTGGRZMTBH-GOSISDBHSA-N 0 3 394.494 3.758 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000779030453 903172737 /nfs/dbraw/zinc/17/27/37/903172737.db2.gz ACRRRJAIAAXXFI-BBRMVZONSA-N 0 3 383.330 3.761 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])[C@]12CCCO2 ZINC000779050472 903543404 /nfs/dbraw/zinc/54/34/04/903543404.db2.gz PUKADLWACQEOGE-BWUSGFMJSA-N 0 3 384.314 3.840 20 10 GHCDHN C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153679594 904387656 /nfs/dbraw/zinc/38/76/56/904387656.db2.gz OLUWTTNGIYUFFQ-MRXNPFEDSA-N 0 3 398.457 3.838 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000773042991 904395079 /nfs/dbraw/zinc/39/50/79/904395079.db2.gz RZIMAMBVUWJKDQ-KSFYIVLOSA-N 0 3 397.519 3.616 20 10 GHCDHN C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773133137 904461287 /nfs/dbraw/zinc/46/12/87/904461287.db2.gz QMHIYHSFVAYUTI-YJBOKZPZSA-N 0 3 392.902 3.570 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000075578004 904948678 /nfs/dbraw/zinc/94/86/78/904948678.db2.gz CVHNHEUJAONMNV-QFIPXVFZSA-N 0 3 380.536 3.731 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000801595803 921174966 /nfs/dbraw/zinc/17/49/66/921174966.db2.gz UTJQPOBRZSQHAF-INIZCTEOSA-N 0 3 383.492 3.980 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1F ZINC001179086300 909378942 /nfs/dbraw/zinc/37/89/42/909378942.db2.gz PMGKRSOXKFQLJB-QZTJIDSGSA-N 0 3 395.494 3.956 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1F ZINC001179086299 909379047 /nfs/dbraw/zinc/37/90/47/909379047.db2.gz PMGKRSOXKFQLJB-MSOLQXFVSA-N 0 3 395.494 3.956 20 10 GHCDHN CN(C)c1ccc(/C=C\CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC001179607000 909605019 /nfs/dbraw/zinc/60/50/19/909605019.db2.gz BZQNBSKQFJDFGW-HLAOHSTMSA-N 0 3 385.458 3.606 20 10 GHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(Oc2ccc(Br)cc2)CC1 ZINC001204274976 910224904 /nfs/dbraw/zinc/22/49/04/910224904.db2.gz KBYJPHXLVGWCGW-UHFFFAOYSA-N 0 3 378.266 3.904 20 10 GHCDHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000774472156 911779153 /nfs/dbraw/zinc/77/91/53/911779153.db2.gz LZXSNRHWDDIEJK-RDJZCZTQSA-N 0 3 380.916 3.513 20 10 GHCDHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774478548 911784387 /nfs/dbraw/zinc/78/43/87/911784387.db2.gz HELZEDIMUWVUEU-CVEARBPZSA-N 0 3 387.499 3.598 20 10 GHCDHN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774481912 911787990 /nfs/dbraw/zinc/78/79/90/911787990.db2.gz JDBGYIZSISOXEI-DLBZAZTESA-N 0 3 382.508 3.757 20 10 GHCDHN COc1ncc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl ZINC000284428985 911862603 /nfs/dbraw/zinc/86/26/03/911862603.db2.gz RFFZNYFRARNHCZ-HNNXBMFYSA-N 0 3 389.927 3.803 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H](F)c3ccccc3F)CC1)[C@@H](O)CO2 ZINC000795657130 911998388 /nfs/dbraw/zinc/99/83/88/911998388.db2.gz KXSXQTBWADXBLT-PZJWPPBQSA-N 0 3 375.415 3.880 20 10 GHCDHN COc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c([O-])c1 ZINC001182891367 912118017 /nfs/dbraw/zinc/11/80/17/912118017.db2.gz JJHXHEFTHXZTQW-GOSISDBHSA-N 0 3 376.497 3.731 20 10 GHCDHN CC(C)[C@@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775258623 916690933 /nfs/dbraw/zinc/69/09/33/916690933.db2.gz GVXDKCNARHWBIG-NTKDMRAZSA-N 0 3 395.547 3.687 20 10 GHCDHN COC1CCN(c2ccc(CN[C@@H](C)c3ccc([S@@](C)=O)cc3)cc2)CC1 ZINC000294996741 917086662 /nfs/dbraw/zinc/08/66/62/917086662.db2.gz NTMKMUFAWGAWLU-CBZJRKILSA-N 0 3 386.561 3.890 20 10 GHCDHN COC1CCN(c2ccc(CN3CCC(Oc4ccc(F)nc4)CC3)cc2)CC1 ZINC000296095314 917845319 /nfs/dbraw/zinc/84/53/19/917845319.db2.gz UFFYCXGXXZQKMH-UHFFFAOYSA-N 0 3 399.510 3.879 20 10 GHCDHN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000653145777 918139417 /nfs/dbraw/zinc/13/94/17/918139417.db2.gz LTHPFPQEFXIFIE-UHFFFAOYSA-N 0 3 375.472 3.771 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000381987868 919719104 /nfs/dbraw/zinc/71/91/04/919719104.db2.gz OBQQZVANYQBISF-DOMZBBRYSA-N 0 3 384.904 3.932 20 10 GHCDHN Fc1cc(CN2CCC(N3CCc4ccccc43)CC2)ccc1N1CCOCC1 ZINC000800529012 920244735 /nfs/dbraw/zinc/24/47/35/920244735.db2.gz YJGBLGDRBBQCFM-UHFFFAOYSA-N 0 3 395.522 3.689 20 10 GHCDHN COc1cc(Cl)cc(CN[C@H](Cn2ccccc2=O)c2ccccc2)c1O ZINC000800545043 920262101 /nfs/dbraw/zinc/26/21/01/920262101.db2.gz IQKGYYIRFDVYMK-GOSISDBHSA-N 0 3 384.863 3.747 20 10 GHCDHN CCOC(=O)CC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOCC1 ZINC000827757980 925948728 /nfs/dbraw/zinc/94/87/28/925948728.db2.gz SJHWTCOCAXWTGQ-UHFFFAOYSA-N 0 3 399.487 3.563 20 10 GHCDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1(C)C ZINC000827821343 926055463 /nfs/dbraw/zinc/05/54/63/926055463.db2.gz WCEVWHZRNUWUMG-NZQKXSOJSA-N 0 3 387.568 3.604 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000374806819 927543101 /nfs/dbraw/zinc/54/31/01/927543101.db2.gz IKRHEOGGHDKFMV-SUNYJGFJSA-N 0 3 398.341 3.681 20 10 GHCDHN COc1cccc(O)c1CNC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751507045 928227372 /nfs/dbraw/zinc/22/73/72/928227372.db2.gz QYNOQILNTALQAM-MRXNPFEDSA-N 0 3 375.774 3.594 20 10 GHCDHN Oc1cccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)c1 ZINC000753538052 929397358 /nfs/dbraw/zinc/39/73/58/929397358.db2.gz NIVOVURSOGHXLW-UHFFFAOYSA-N 0 3 390.483 3.999 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000757769000 929794259 /nfs/dbraw/zinc/79/42/59/929794259.db2.gz VGTZTOJKQCSGDO-WIYYLYMNSA-N 0 3 381.520 3.977 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000758204717 929972310 /nfs/dbraw/zinc/97/23/10/929972310.db2.gz XGOUBWPKPRQSPQ-UWJYYQICSA-N 0 3 388.515 3.882 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759568532 930407077 /nfs/dbraw/zinc/40/70/77/930407077.db2.gz GNRJOVPYOLZYSD-WBVHZDCISA-N 0 3 390.578 3.760 20 10 GHCDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCCSc1nccs1 ZINC000759600330 930420320 /nfs/dbraw/zinc/42/03/20/930420320.db2.gz DEGFUKHKMBWCIM-UHFFFAOYSA-N 0 3 396.557 3.538 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCOc4cc(F)ccc43)cc2)C1 ZINC000781892656 931013852 /nfs/dbraw/zinc/01/38/52/931013852.db2.gz XIHHWKCGHHFYLM-UTKZUKDTSA-N 0 3 397.494 3.531 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCOc4cc(F)ccc43)cc2)C1 ZINC000781892662 931014056 /nfs/dbraw/zinc/01/40/56/931014056.db2.gz XIHHWKCGHHFYLM-UWJYYQICSA-N 0 3 397.494 3.531 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cnn(C4CCC4)c3)cc2F)CC1 ZINC000924996259 931606905 /nfs/dbraw/zinc/60/69/05/931606905.db2.gz RDYJEXAYLHVLTK-KRWDZBQOSA-N 0 3 385.531 3.740 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000798928704 932820139 /nfs/dbraw/zinc/82/01/39/932820139.db2.gz CVFJNZPHIXZUKS-QFIPXVFZSA-N 0 3 386.490 3.743 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cc2Cl)C1 ZINC000799938659 933177690 /nfs/dbraw/zinc/17/76/90/933177690.db2.gz DMURZNJDSBODJK-WBVHZDCISA-N 0 3 390.959 3.612 20 10 GHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929972749 933737454 /nfs/dbraw/zinc/73/74/54/933737454.db2.gz USZVFHIXPSLENP-NZQKXSOJSA-N 0 3 381.472 3.862 20 10 GHCDHN Cc1cc(CCNC(=O)NC[C@@H]2CCCCN2C2CC2)c(C)n1-c1ccccc1 ZINC001227883101 1032666438 /nfs/dbraw/zinc/66/64/38/1032666438.db2.gz PZVKYFNTEZXRDI-QHCPKHFHSA-N 0 3 394.563 3.953 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CCCC[N@@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204276022 1032717464 /nfs/dbraw/zinc/71/74/64/1032717464.db2.gz DRTYLOSHYIUOGX-UHFFFAOYSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CCCC[N@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204276022 1032717475 /nfs/dbraw/zinc/71/74/75/1032717475.db2.gz DRTYLOSHYIUOGX-UHFFFAOYSA-N 0 3 376.497 3.853 20 10 GHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(Cc3cc(Br)ccc3O2)CC1 ZINC001204277590 1032718341 /nfs/dbraw/zinc/71/83/41/1032718341.db2.gz GBNMIQZKXFGVNX-UHFFFAOYSA-N 0 3 390.277 3.830 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000779011112 1020207790 /nfs/dbraw/zinc/20/77/90/1020207790.db2.gz DOQWYZQPPQSOFB-ZIAGYGMSSA-N 0 3 391.309 3.819 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834492099 1021221554 /nfs/dbraw/zinc/22/15/54/1021221554.db2.gz MWECZKULPQGOPA-BEFAXECRSA-N 0 3 388.533 3.761 20 10 GHCDHN Cc1cccc(N2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)c1C ZINC001140285542 1021317378 /nfs/dbraw/zinc/31/73/78/1021317378.db2.gz OBYYJQMKRBSHRC-UHFFFAOYSA-N 0 3 379.548 3.587 20 10 GHCDHN C[C@@H]([NH2+]CCOc1ccc(I)cc1)c1ccccc1[O-] ZINC000800984273 1021352907 /nfs/dbraw/zinc/35/29/07/1021352907.db2.gz OMDMOCKZDIOBEH-GFCCVEGCSA-N 0 3 383.229 3.726 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCO[C@](C)(c4ccc(F)cc4)C3)cc2)CC1 ZINC001140306750 1021363138 /nfs/dbraw/zinc/36/31/38/1021363138.db2.gz WMEDNSOBZRBKKY-DEOSSOPVSA-N 0 3 397.538 3.715 20 10 GHCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1cccc(Br)c1 ZINC000834786910 1021474386 /nfs/dbraw/zinc/47/43/86/1021474386.db2.gz DSZRFLNXUANERO-CVEARBPZSA-N 0 3 387.277 3.537 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1[O-] ZINC000827850255 1022351340 /nfs/dbraw/zinc/35/13/40/1022351340.db2.gz MPOSXLMZOJMXPJ-HDICACEKSA-N 0 3 382.298 3.556 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1[O-] ZINC000827850255 1022351353 /nfs/dbraw/zinc/35/13/53/1022351353.db2.gz MPOSXLMZOJMXPJ-HDICACEKSA-N 0 3 382.298 3.556 20 10 GHCDHN COc1cccc(O)c1CNCc1ccc(OCCOc2ccccc2)nc1 ZINC000725846391 1022385993 /nfs/dbraw/zinc/38/59/93/1022385993.db2.gz CRNFKVAWRXFNJI-UHFFFAOYSA-N 0 3 380.444 3.543 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c([O-])c1 ZINC000725843776 1022386814 /nfs/dbraw/zinc/38/68/14/1022386814.db2.gz DKPMFKPCARFIEJ-FQEVSTJZSA-N 0 3 390.911 3.607 20 10 GHCDHN CCOc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c([O-])c1 ZINC000725846128 1022387252 /nfs/dbraw/zinc/38/72/52/1022387252.db2.gz XCYRDZUQIRBZEC-UHFFFAOYSA-N 0 3 380.444 3.604 20 10 GHCDHN CCN(CC)c1ccc(CN2CC(CN(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140851070 1022697526 /nfs/dbraw/zinc/69/75/26/1022697526.db2.gz ZVQNFUYLTHDUMW-UHFFFAOYSA-N 0 3 377.529 3.537 20 10 GHCDHN CCN(CC)c1ccc(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140857328 1022713617 /nfs/dbraw/zinc/71/36/17/1022713617.db2.gz OTBKVGPLWHFRRV-UHFFFAOYSA-N 0 3 377.529 3.585 20 10 GHCDHN CN(C)c1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)c(Cl)c1 ZINC001140923442 1022899076 /nfs/dbraw/zinc/89/90/76/1022899076.db2.gz ANDCTXRRAASLMY-UHFFFAOYSA-N 0 3 393.922 3.859 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)c(Cl)c1 ZINC001140923535 1022899184 /nfs/dbraw/zinc/89/91/84/1022899184.db2.gz BIKPMHBUSIQISR-NRFANRHFSA-N 0 3 385.943 3.689 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754835668 1022922807 /nfs/dbraw/zinc/92/28/07/1022922807.db2.gz SHINHMGOVAOXON-UYAOXDASSA-N 0 3 375.875 3.607 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001140954006 1022987893 /nfs/dbraw/zinc/98/78/93/1022987893.db2.gz IONFZBJEFISDCK-LSDHHAIUSA-N 0 3 388.430 3.978 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)c([O-])c1 ZINC000756043815 1023492917 /nfs/dbraw/zinc/49/29/17/1023492917.db2.gz BZIVZZYOVLQWMS-UNMCSNQZSA-N 0 3 380.492 3.849 20 10 GHCDHN COc1cc(Cl)cc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC001204992621 1033198346 /nfs/dbraw/zinc/19/83/46/1033198346.db2.gz JENNFHHZQJALOO-HNNXBMFYSA-N 0 3 399.249 3.742 20 10 GHCDHN COC(=O)c1ccc(OC2CCN(Cc3ccc4c(c3)CCCN4C)CC2)cc1 ZINC001138357779 1024722762 /nfs/dbraw/zinc/72/27/62/1024722762.db2.gz KAODLFLSPIGRMV-UHFFFAOYSA-N 0 3 394.515 3.899 20 10 GHCDHN CN(Cc1cccs1)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138679327 1025204437 /nfs/dbraw/zinc/20/44/37/1025204437.db2.gz XZRARRRLVBKFEA-UHFFFAOYSA-N 0 3 381.339 3.979 20 10 GHCDHN O=C(CNC1(CO)CCSCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839180342 1025692632 /nfs/dbraw/zinc/69/26/32/1025692632.db2.gz RYDHCNWFGPMXLO-UHFFFAOYSA-N 0 3 384.505 3.888 20 10 GHCDHN CCOc1cccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC001203603211 1027468830 /nfs/dbraw/zinc/46/88/30/1027468830.db2.gz KJBHWFOMCWQWPF-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC001203617681 1027480401 /nfs/dbraw/zinc/48/04/01/1027480401.db2.gz UFDRPPKXPANAEU-UHFFFAOYSA-N 0 3 381.394 3.903 20 10 GHCDHN COc1ccc(O)c(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001203675275 1027525764 /nfs/dbraw/zinc/52/57/64/1027525764.db2.gz RXQYSIBYGIEKQW-UHFFFAOYSA-N 0 3 375.428 3.908 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)cc1 ZINC001203933175 1027726412 /nfs/dbraw/zinc/72/64/12/1027726412.db2.gz INJXAWRNUCMVGN-VSOVRNOCSA-N 0 3 381.495 3.988 20 10 GHCDHN OCC1(c2ccccc2)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000840970910 1028003677 /nfs/dbraw/zinc/00/36/77/1028003677.db2.gz XSGDEVULAIGJHW-UHFFFAOYSA-N 0 3 375.468 3.717 20 10 GHCDHN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000840975263 1028014675 /nfs/dbraw/zinc/01/46/75/1028014675.db2.gz VFVVUSUNVIPOGG-OAQYLSRUSA-N 0 3 394.515 3.948 20 10 GHCDHN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000840975263 1028014690 /nfs/dbraw/zinc/01/46/90/1028014690.db2.gz VFVVUSUNVIPOGG-OAQYLSRUSA-N 0 3 394.515 3.948 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001220212452 1031838792 /nfs/dbraw/zinc/83/87/92/1031838792.db2.gz KCOCQRCHPMUMSC-HNAYVOBHSA-N 0 3 395.890 3.746 20 10 GHCDHN O=C([O-])c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c([O-])c1 ZINC001231448913 1034594912 /nfs/dbraw/zinc/59/49/12/1034594912.db2.gz AEKITFHKVHHSHZ-UHFFFAOYSA-N 0 3 386.517 3.640 20 10 GHCDHN O=C([O-])c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c([O-])c1 ZINC001231448913 1034594914 /nfs/dbraw/zinc/59/49/14/1034594914.db2.gz AEKITFHKVHHSHZ-UHFFFAOYSA-N 0 3 386.517 3.640 20 10 GHCDHN COc1cc(C)nc(OC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC001231589162 1034743387 /nfs/dbraw/zinc/74/33/87/1034743387.db2.gz DFADIINKIXEIKR-UHFFFAOYSA-N 0 3 379.460 3.696 20 10 GHCDHN CCN(CC)c1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])ncn1 ZINC001160619461 1035018568 /nfs/dbraw/zinc/01/85/68/1035018568.db2.gz ZJKFNKKAZRVOGA-FGZHOGPDSA-N 0 3 393.491 3.587 20 10 GHCDHN Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001278491254 1038313226 /nfs/dbraw/zinc/31/32/26/1038313226.db2.gz SCASDASPXAIMRE-UHFFFAOYSA-N 0 3 377.941 3.909 20 10 GHCDHN Cc1cc(Br)cc(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c1[O-] ZINC001233110604 1038900522 /nfs/dbraw/zinc/90/05/22/1038900522.db2.gz GZXGDRVCSXFIQL-UHFFFAOYSA-N 0 3 395.341 3.686 20 10 GHCDHN CN1C[C@H]2CCC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)[C@H]2C1 ZINC001233195054 1038961746 /nfs/dbraw/zinc/96/17/46/1038961746.db2.gz DIKDLTOAIXOVJO-KDOFPFPSSA-N 0 3 375.310 3.834 20 10 GHCDHN CN1C[C@H]2CCC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)[C@H]2C1 ZINC001233195054 1038961747 /nfs/dbraw/zinc/96/17/47/1038961747.db2.gz DIKDLTOAIXOVJO-KDOFPFPSSA-N 0 3 375.310 3.834 20 10 GHCDHN CN(Cc1cc(C(C)(C)C)ccc1O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233284130 1039058998 /nfs/dbraw/zinc/05/89/98/1039058998.db2.gz JRNUROKGNAQXRS-GOSISDBHSA-N 0 3 392.540 3.757 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1[O-] ZINC001233288611 1039067082 /nfs/dbraw/zinc/06/70/82/1039067082.db2.gz QSEYUAZATJKYBN-LJQANCHMSA-N 0 3 392.908 3.745 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1[O-] ZINC001233288611 1039067097 /nfs/dbraw/zinc/06/70/97/1039067097.db2.gz QSEYUAZATJKYBN-LJQANCHMSA-N 0 3 392.908 3.745 20 10 GHCDHN O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccc(OC(F)(F)F)c2[O-])N1c1ccsc1 ZINC001233746014 1039586833 /nfs/dbraw/zinc/58/68/33/1039586833.db2.gz RFMDRYDVNSKWPM-UONOGXRCSA-N 0 3 398.406 3.732 20 10 GHCDHN O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(OC(F)(F)F)c2[O-])N1c1ccsc1 ZINC001233746014 1039586838 /nfs/dbraw/zinc/58/68/38/1039586838.db2.gz RFMDRYDVNSKWPM-UONOGXRCSA-N 0 3 398.406 3.732 20 10 GHCDHN COC[C@@H]1COCCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233754509 1039592433 /nfs/dbraw/zinc/59/24/33/1039592433.db2.gz GZQSJSDXIYCWGJ-OAHLLOKOSA-N 0 3 389.414 3.556 20 10 GHCDHN Oc1c(CN2CC3(CN(Cc4ccccc4)C3)C2)cccc1OC(F)(F)F ZINC001233760514 1039594081 /nfs/dbraw/zinc/59/40/81/1039594081.db2.gz GIDBGGOOWUSMEZ-UHFFFAOYSA-N 0 3 378.394 3.609 20 10 GHCDHN CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001254023523 1039960396 /nfs/dbraw/zinc/96/03/96/1039960396.db2.gz OMZRFNBCRNMXFQ-HXUWFJFHSA-N 0 3 381.472 3.862 20 10 GHCDHN COc1cccc(CN2CC[NH+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)c1 ZINC001234562850 1040130130 /nfs/dbraw/zinc/13/01/30/1040130130.db2.gz VTHZBNGDVJXUFJ-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN O=C(c1ccco1)N1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]21 ZINC001234996217 1040490470 /nfs/dbraw/zinc/49/04/70/1040490470.db2.gz WXCCJJGXVNKAEF-GHTZIAJQSA-N 0 3 388.467 3.999 20 10 GHCDHN O=C(c1ccco1)N1CC[C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]21 ZINC001234996217 1040490475 /nfs/dbraw/zinc/49/04/75/1040490475.db2.gz WXCCJJGXVNKAEF-GHTZIAJQSA-N 0 3 388.467 3.999 20 10 GHCDHN COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235002328 1040494588 /nfs/dbraw/zinc/49/45/88/1040494588.db2.gz YVWHAZCDNZFCIB-IBGZPJMESA-N 0 3 391.471 3.820 20 10 GHCDHN COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235002328 1040494598 /nfs/dbraw/zinc/49/45/98/1040494598.db2.gz YVWHAZCDNZFCIB-IBGZPJMESA-N 0 3 391.471 3.820 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679517 1041141589 /nfs/dbraw/zinc/14/15/89/1041141589.db2.gz PGTOHTTVTCQBJC-YKSBVNFPSA-N 0 3 393.531 3.613 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679517 1041141591 /nfs/dbraw/zinc/14/15/91/1041141591.db2.gz PGTOHTTVTCQBJC-YKSBVNFPSA-N 0 3 393.531 3.613 20 10 GHCDHN COc1cc([O-])c(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001236394454 1041697986 /nfs/dbraw/zinc/69/79/86/1041697986.db2.gz YVUMEUQIEYFFTJ-KRWDZBQOSA-N 0 3 378.875 3.948 20 10 GHCDHN [O-]c1cc(Br)c(O)cc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001236763443 1041878076 /nfs/dbraw/zinc/87/80/76/1041878076.db2.gz LMQWJJNJJFSABR-WTANOLMUSA-N 0 3 396.325 3.887 20 10 GHCDHN [O-]c1cc(Br)c(O)cc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001236763443 1041878080 /nfs/dbraw/zinc/87/80/80/1041878080.db2.gz LMQWJJNJJFSABR-WTANOLMUSA-N 0 3 396.325 3.887 20 10 GHCDHN CC(C)NC(=O)N[C@H]1CCCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236784092 1041890216 /nfs/dbraw/zinc/89/02/16/1041890216.db2.gz YROLJPZEBDBSME-FQEVSTJZSA-N 0 3 397.519 3.643 20 10 GHCDHN CCc1ccc(CN2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c(O)c1 ZINC001236788130 1041894503 /nfs/dbraw/zinc/89/45/03/1041894503.db2.gz RTGFXYSKJYBRSU-NZQKXSOJSA-N 0 3 382.504 3.800 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c([O-])c1Cl ZINC001236802929 1041904861 /nfs/dbraw/zinc/90/48/61/1041904861.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c([O-])c1Cl ZINC001236802929 1041904869 /nfs/dbraw/zinc/90/48/69/1041904869.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802929 1041904871 /nfs/dbraw/zinc/90/48/71/1041904871.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802929 1041904873 /nfs/dbraw/zinc/90/48/73/1041904873.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807164 1041908179 /nfs/dbraw/zinc/90/81/79/1041908179.db2.gz CQFVXRHPVWCJGA-GMAHTHKFSA-N 0 3 398.503 3.554 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807164 1041908182 /nfs/dbraw/zinc/90/81/82/1041908182.db2.gz CQFVXRHPVWCJGA-GMAHTHKFSA-N 0 3 398.503 3.554 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001236808058 1041908894 /nfs/dbraw/zinc/90/88/94/1041908894.db2.gz LDUMPOXLJQRPIZ-UHFFFAOYSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001236808058 1041908902 /nfs/dbraw/zinc/90/89/02/1041908902.db2.gz LDUMPOXLJQRPIZ-UHFFFAOYSA-N 0 3 390.524 3.932 20 10 GHCDHN CC(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236829218 1041919729 /nfs/dbraw/zinc/91/97/29/1041919729.db2.gz GUHSWHVFFTVEME-QFIPXVFZSA-N 0 3 396.531 3.689 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001236832418 1041921238 /nfs/dbraw/zinc/92/12/38/1041921238.db2.gz MXFGZOFWEUWWFY-UHFFFAOYSA-N 0 3 389.499 3.812 20 10 GHCDHN C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236844370 1041925365 /nfs/dbraw/zinc/92/53/65/1041925365.db2.gz ZHBZYRUSANNWJG-HNNXBMFYSA-N 0 3 376.497 3.896 20 10 GHCDHN C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236844370 1041925366 /nfs/dbraw/zinc/92/53/66/1041925366.db2.gz ZHBZYRUSANNWJG-HNNXBMFYSA-N 0 3 376.497 3.896 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)c([O-])c1 ZINC001237039844 1041999709 /nfs/dbraw/zinc/99/97/09/1041999709.db2.gz CFKBVRSAKIXEOY-OAQYLSRUSA-N 0 3 380.488 3.586 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3cccc(C)c3)CC2)c([O-])c1 ZINC001237048495 1042007300 /nfs/dbraw/zinc/00/73/00/1042007300.db2.gz SQWUQKDQTRTKMY-UHFFFAOYSA-N 0 3 383.492 3.885 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001237053195 1042012103 /nfs/dbraw/zinc/01/21/03/1042012103.db2.gz HTVJZDUBGDYWFG-AWEZNQCLSA-N 0 3 387.320 3.613 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001237053195 1042012109 /nfs/dbraw/zinc/01/21/09/1042012109.db2.gz HTVJZDUBGDYWFG-AWEZNQCLSA-N 0 3 387.320 3.613 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H](C)O)cc1 ZINC001237119083 1042047244 /nfs/dbraw/zinc/04/72/44/1042047244.db2.gz DHUYMHWQNVEUKS-AWEZNQCLSA-N 0 3 399.409 3.725 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H](C)O)cc1 ZINC001237119083 1042047255 /nfs/dbraw/zinc/04/72/55/1042047255.db2.gz DHUYMHWQNVEUKS-AWEZNQCLSA-N 0 3 399.409 3.725 20 10 GHCDHN O=C1Nc2ccccc2C12CCN(Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237116657 1042047792 /nfs/dbraw/zinc/04/77/92/1042047792.db2.gz LIYOPKKEBARUPF-UHFFFAOYSA-N 0 3 392.377 3.777 20 10 GHCDHN O=C1Nc2ccccc2C12CC[NH+](Cc1c([O-])cccc1OC(F)(F)F)CC2 ZINC001237116657 1042047794 /nfs/dbraw/zinc/04/77/94/1042047794.db2.gz LIYOPKKEBARUPF-UHFFFAOYSA-N 0 3 392.377 3.777 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCN(c3cncnc3)CC2)c(O)c1 ZINC001237212279 1042092299 /nfs/dbraw/zinc/09/22/99/1042092299.db2.gz LFKKHRQGZSVWHF-UHFFFAOYSA-N 0 3 397.567 3.911 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1[O-] ZINC001462586313 1070392212 /nfs/dbraw/zinc/39/22/12/1070392212.db2.gz OFFSAKLQUYGVGQ-UAPYVXQJSA-N 0 3 376.294 3.645 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001237488426 1042231601 /nfs/dbraw/zinc/23/16/01/1042231601.db2.gz LPUKDXNZBLOLJR-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001237488426 1042231604 /nfs/dbraw/zinc/23/16/04/1042231604.db2.gz LPUKDXNZBLOLJR-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN COCCC[N@H+](Cc1c(C)cccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237496299 1042235480 /nfs/dbraw/zinc/23/54/80/1042235480.db2.gz XUXZCQPBRAQIRF-KRWDZBQOSA-N 0 3 378.513 3.549 20 10 GHCDHN COCCC[N@@H+](Cc1c(C)cccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237496299 1042235482 /nfs/dbraw/zinc/23/54/82/1042235482.db2.gz XUXZCQPBRAQIRF-KRWDZBQOSA-N 0 3 378.513 3.549 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1[O-] ZINC001237682620 1042323407 /nfs/dbraw/zinc/32/34/07/1042323407.db2.gz CCLLMQBOIMXNJZ-UHFFFAOYSA-N 0 3 399.922 3.906 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684527 1042325527 /nfs/dbraw/zinc/32/55/27/1042325527.db2.gz VJQGOIKCZKVORZ-PBHICJAKSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684527 1042325535 /nfs/dbraw/zinc/32/55/35/1042325535.db2.gz VJQGOIKCZKVORZ-PBHICJAKSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1[O-] ZINC001238063221 1042479883 /nfs/dbraw/zinc/47/98/83/1042479883.db2.gz YNXFEFJCMSUNOJ-QGZVFWFLSA-N 0 3 390.430 3.576 20 10 GHCDHN COc1cc(C[C@H](C)N2CCCc3cc(O)c(O)cc3C2)cc(OC)c1OC ZINC001258878144 1044825335 /nfs/dbraw/zinc/82/53/35/1044825335.db2.gz LVDCKYNNXCBJNO-AWEZNQCLSA-N 0 3 387.476 3.503 20 10 GHCDHN O=C(NCCN1CCCC1)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001261377894 1045986730 /nfs/dbraw/zinc/98/67/30/1045986730.db2.gz IUDMBUDWKDKGRV-UHFFFAOYSA-N 0 3 392.547 3.725 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC(C)(C)C)c(Cl)c1 ZINC001280043460 1048061624 /nfs/dbraw/zinc/06/16/24/1048061624.db2.gz OSLZQOCDPPYZAO-HGKCTWBKSA-N 0 3 377.960 3.779 20 10 GHCDHN COc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1Cn1cccn1 ZINC001308228297 1049920035 /nfs/dbraw/zinc/92/00/35/1049920035.db2.gz LEMGNFHKGHWUDM-XZOQPEGZSA-N 0 3 377.488 3.950 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3nccs3)c3ccccc3)cc2)CC1 ZINC001308235561 1049921861 /nfs/dbraw/zinc/92/18/61/1049921861.db2.gz CWLZCRBRMXFQHY-OAQYLSRUSA-N 0 3 378.545 3.774 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(C[N@H+](C)Cc3cc(F)c(F)cc3[O-])cc2)C[C@H](C)O1 ZINC001308916744 1050166251 /nfs/dbraw/zinc/16/62/51/1050166251.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 0 3 390.474 3.912 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(C[N@@H+](C)Cc3cc(F)c(F)cc3[O-])cc2)C[C@H](C)O1 ZINC001308916744 1050166265 /nfs/dbraw/zinc/16/62/65/1050166265.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 0 3 390.474 3.912 20 10 GHCDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N)cc1 ZINC001336290152 1052254167 /nfs/dbraw/zinc/25/41/67/1052254167.db2.gz HUFQPYRMLQQUFL-UHFFFAOYSA-N 0 3 394.441 3.561 20 10 GHCDHN CSc1ccccc1[C@@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001322615425 1056771120 /nfs/dbraw/zinc/77/11/20/1056771120.db2.gz VJQCBFTXRSXSBU-AEFFLSMTSA-N 0 3 383.561 3.961 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCC3)cc2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC001323189148 1056935884 /nfs/dbraw/zinc/93/58/84/1056935884.db2.gz FCBVISUJZNXSIX-ACIOBRDBSA-N 0 3 375.516 3.533 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000848529994 1057152261 /nfs/dbraw/zinc/15/22/61/1057152261.db2.gz AWALSFHJZPLRAN-KPZWWZAWSA-N 0 3 380.282 3.722 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CSCCS2)c1[O-] ZINC000848531990 1057153583 /nfs/dbraw/zinc/15/35/83/1057153583.db2.gz WSXLKNDICMDMKO-ONGXEEELSA-N 0 3 378.357 3.663 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[O-] ZINC000848538014 1057159715 /nfs/dbraw/zinc/15/97/15/1057159715.db2.gz RVCDQLRADDZROZ-QMYPXSFVSA-N 0 3 382.298 3.772 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)c1[O-] ZINC000848550359 1057171323 /nfs/dbraw/zinc/17/13/23/1057171323.db2.gz KJLWHVAEZUWJFG-NEPJUHHUSA-N 0 3 378.266 3.990 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(c3ccc(F)cc3)CCC2)N(C)C)cc1 ZINC001439960741 1058367055 /nfs/dbraw/zinc/36/70/55/1058367055.db2.gz ODDTVBXALNADJU-OAQYLSRUSA-N 0 3 383.511 3.733 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3ccccc3)c3cccnc3)cc2F)CC1 ZINC001200076701 1065143665 /nfs/dbraw/zinc/14/36/65/1065143665.db2.gz JUYHGWRCKRMRIW-XMMPIXPASA-N 0 3 390.506 3.852 20 10 GHCDHN CN(C)CCN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CCCC1 ZINC001466893956 1066373905 /nfs/dbraw/zinc/37/39/05/1066373905.db2.gz HYRVSTCNRPYFLK-UHFFFAOYSA-N 0 3 392.507 3.734 20 10 GHCDHN CCS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469239739 1068050431 /nfs/dbraw/zinc/05/04/31/1068050431.db2.gz SHTHHWKHJVFFOW-XUVXKRRUSA-N 0 3 392.613 3.719 20 10 GHCDHN O=[N+]([O-])c1cc(CNCCOCC(F)(F)C(F)F)ccc1N1CCCCC1 ZINC000766225335 1068142643 /nfs/dbraw/zinc/14/26/43/1068142643.db2.gz NXSCOEIYPUJLDF-UHFFFAOYSA-N 0 3 393.381 3.592 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc1 ZINC001469854564 1068430530 /nfs/dbraw/zinc/43/05/30/1068430530.db2.gz SOVJAUHBLRXTMM-NQIIRXRSSA-N 0 3 380.536 3.696 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471545550 1073124777 /nfs/dbraw/zinc/12/47/77/1073124777.db2.gz RQFJXQRAGNAESD-OAQYLSRUSA-N 0 3 398.551 3.683 20 10 GHCDHN C[C@@H]1CN(c2cccc(Cl)c2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001473493772 1073988469 /nfs/dbraw/zinc/98/84/69/1073988469.db2.gz IWDNTQGGPBVJIC-GOSISDBHSA-N 0 3 385.939 3.887 20 10 GHCDHN CC[C@](C)(NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001479535704 1079224652 /nfs/dbraw/zinc/22/46/52/1079224652.db2.gz WZRLKWOANGICFJ-GMAHTHKFSA-N 0 3 382.552 3.980 20 10 GHCDHN CCOC(=O)N1CCC(C)(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC001474404040 1074388800 /nfs/dbraw/zinc/38/88/00/1074388800.db2.gz WYOLEQADCRESHF-LJQANCHMSA-N 0 3 390.524 3.632 20 10 GHCDHN CCOC(=O)N1CCC(C)(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC001474404040 1074388804 /nfs/dbraw/zinc/38/88/04/1074388804.db2.gz WYOLEQADCRESHF-LJQANCHMSA-N 0 3 390.524 3.632 20 10 GHCDHN COC(=O)[C@H](C)Oc1ccccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001474415097 1074396355 /nfs/dbraw/zinc/39/63/55/1074396355.db2.gz SAKKMSBRZJJHED-KRWDZBQOSA-N 0 3 382.504 3.858 20 10 GHCDHN Oc1ccccc1C[N@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CCCC1 ZINC000738401240 598620963 /nfs/dbraw/zinc/62/09/63/598620963.db2.gz QKEPVWLKDWVDLF-UHFFFAOYSA-N 0 3 388.475 3.770 20 10 GHCDHN Oc1ccccc1C[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CCCC1 ZINC000738401240 598620965 /nfs/dbraw/zinc/62/09/65/598620965.db2.gz QKEPVWLKDWVDLF-UHFFFAOYSA-N 0 3 388.475 3.770 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3sc(C)nc3C)cc2F)CC1 ZINC000177971831 837479039 /nfs/dbraw/zinc/47/90/39/837479039.db2.gz TUNHVMMZRUUCOI-AWEZNQCLSA-N 0 3 376.545 3.892 20 10 GHCDHN CC1(C)Cc2cccc(CNCc3ccc(N4CCC(CO)CC4)cc3)c2O1 ZINC000161769564 834631077 /nfs/dbraw/zinc/63/10/77/834631077.db2.gz INCITMBVKGEHBU-UHFFFAOYSA-N 0 3 380.532 3.899 20 10 GHCDHN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCCCCC4)cc3)C2=O)n(C)n1 ZINC000181191435 837868764 /nfs/dbraw/zinc/86/87/64/837868764.db2.gz GRBBSGDHCRBTMA-GHTZIAJQSA-N 0 3 395.551 3.565 20 10 GHCDHN COc1ccc(CNCc2ccc(C)cc2OCC(F)(F)F)c(O)c1OC ZINC000893159610 838335544 /nfs/dbraw/zinc/33/55/44/838335544.db2.gz QAZXESCTHYLGPQ-UHFFFAOYSA-N 0 3 385.382 3.949 20 10 GHCDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000363817774 839082484 /nfs/dbraw/zinc/08/24/84/839082484.db2.gz HNJIHGINVOEXSA-UZLBHIALSA-N 0 3 386.515 3.733 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCCO1 ZINC000759848278 840161755 /nfs/dbraw/zinc/16/17/55/840161755.db2.gz AMIAEZZWTGLAEK-JXFKEZNVSA-N 0 3 379.859 3.899 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CCCO1 ZINC000759848278 840161772 /nfs/dbraw/zinc/16/17/72/840161772.db2.gz AMIAEZZWTGLAEK-JXFKEZNVSA-N 0 3 379.859 3.899 20 10 GHCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3cccnc3Cl)CC2)cc1 ZINC000162802840 841417092 /nfs/dbraw/zinc/41/70/92/841417092.db2.gz AHJDROCVOCIHTF-QGZVFWFLSA-N 0 3 388.943 3.607 20 10 GHCDHN COCCN(C)c1ccc(CNCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000190986646 841451627 /nfs/dbraw/zinc/45/16/27/841451627.db2.gz CQWADLJHXJSECQ-UHFFFAOYSA-N 0 3 382.552 3.690 20 10 GHCDHN CCOCc1cc(CNCc2ccc(Cn3ccccc3=O)cc2)ccc1OC ZINC000051188525 842106934 /nfs/dbraw/zinc/10/69/34/842106934.db2.gz INKIVKHOUBAACR-UHFFFAOYSA-N 0 3 392.499 3.732 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000176121280 843450565 /nfs/dbraw/zinc/45/05/65/843450565.db2.gz JTFQEYYXGOSPJT-NDEPHWFRSA-N 0 3 397.496 3.701 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000176121280 843450569 /nfs/dbraw/zinc/45/05/69/843450569.db2.gz JTFQEYYXGOSPJT-NDEPHWFRSA-N 0 3 397.496 3.701 20 10 GHCDHN COC(=O)c1cc2ccccc2c(CN(C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000176121280 843450573 /nfs/dbraw/zinc/45/05/73/843450573.db2.gz JTFQEYYXGOSPJT-NDEPHWFRSA-N 0 3 397.496 3.701 20 10 GHCDHN OC[C@H](NCc1ccccc1O)c1ccc(Br)cc1C(F)(F)F ZINC000280182133 846324434 /nfs/dbraw/zinc/32/44/34/846324434.db2.gz GUOJCMUMOYWFDB-AWEZNQCLSA-N 0 3 390.199 3.997 20 10 GHCDHN COc1ccc(O)c(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000280268773 846346200 /nfs/dbraw/zinc/34/62/00/846346200.db2.gz MIUKOHGRATWVOJ-HNNXBMFYSA-N 0 3 375.774 3.896 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccc(C)cc1[O-] ZINC000280284042 846350700 /nfs/dbraw/zinc/35/07/00/846350700.db2.gz YQQSBVQTFGGYMJ-OAQYLSRUSA-N 0 3 396.531 3.984 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000109773634 846852535 /nfs/dbraw/zinc/85/25/35/846852535.db2.gz KMWOTPKSYNWCHY-UHFFFAOYSA-N 0 3 378.476 3.655 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000109773634 846852545 /nfs/dbraw/zinc/85/25/45/846852545.db2.gz KMWOTPKSYNWCHY-UHFFFAOYSA-N 0 3 378.476 3.655 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)CNCCO4)ccc21 ZINC000514612242 850054137 /nfs/dbraw/zinc/05/41/37/850054137.db2.gz XCDCJUJCZNSBAF-UHFFFAOYSA-N 0 3 393.487 3.639 20 10 GHCDHN CN(c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1)S(C)(=O)=O ZINC000732232207 862165280 /nfs/dbraw/zinc/16/52/80/862165280.db2.gz GFVVFKZYBIYGRI-UHFFFAOYSA-N 0 3 396.512 3.745 20 10 GHCDHN CN(Cc1ccccc1O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061791882 862544463 /nfs/dbraw/zinc/54/44/63/862544463.db2.gz DQDFENQTTWSLLL-UHFFFAOYSA-N 0 3 385.533 3.647 20 10 GHCDHN CCc1nc2c(s1)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000165185411 854734386 /nfs/dbraw/zinc/73/43/86/854734386.db2.gz LMPCGYUMUNWGGL-MRXNPFEDSA-N 0 3 375.513 3.848 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186250944 854794679 /nfs/dbraw/zinc/79/46/79/854794679.db2.gz PRDITFOQRYZZPG-UHFFFAOYSA-N 0 3 382.504 3.800 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c([O-])c1 ZINC000760034295 855028844 /nfs/dbraw/zinc/02/88/44/855028844.db2.gz MHYLQWGAOZXAQZ-GOEBONIOSA-N 0 3 378.310 3.965 20 10 GHCDHN CC(=O)Nc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000733334315 862877017 /nfs/dbraw/zinc/87/70/17/862877017.db2.gz FXQQWZBKNJGZEB-FQEVSTJZSA-N 0 3 387.911 3.758 20 10 GHCDHN COc1ccc([C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000215989662 859098481 /nfs/dbraw/zinc/09/84/81/859098481.db2.gz LGQURTZVNKFHHD-QHCPKHFHSA-N 0 3 383.536 3.707 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1[O-] ZINC000761205629 859141931 /nfs/dbraw/zinc/14/19/31/859141931.db2.gz HFDSHMQSMHDZNE-PBHICJAKSA-N 0 3 389.801 3.678 20 10 GHCDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000765230733 859857524 /nfs/dbraw/zinc/85/75/24/859857524.db2.gz SZPCALOHWABTPC-CVDCTZTESA-N 0 3 392.547 3.607 20 10 GHCDHN CCc1nc2c(s1)[C@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCC2 ZINC000765251433 859866546 /nfs/dbraw/zinc/86/65/46/859866546.db2.gz FQDJYDUJJNNYRP-SJLPKXTDSA-N 0 3 398.576 3.574 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2ccccc2n1 ZINC000765254490 859872310 /nfs/dbraw/zinc/87/23/10/859872310.db2.gz MZZJZUUROVOGLC-FXAWDEMLSA-N 0 3 388.515 3.787 20 10 GHCDHN Cn1nc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21 ZINC000727470138 860106575 /nfs/dbraw/zinc/10/65/75/860106575.db2.gz DPZYTCQIODPHTD-UHFFFAOYSA-N 0 3 386.446 3.933 20 10 GHCDHN CCCN(CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1ccccc1O ZINC000727830868 860284305 /nfs/dbraw/zinc/28/43/05/860284305.db2.gz SDGHMYATNQPTMO-HNNXBMFYSA-N 0 3 376.447 3.630 20 10 GHCDHN CN1CCCc2cc(CNC(=O)NC[C@H]3CCCN3Cc3ccccc3)ccc21 ZINC000734172957 864050045 /nfs/dbraw/zinc/05/00/45/864050045.db2.gz VHQDPHYOVFRVCH-JOCHJYFZSA-N 0 3 392.547 3.533 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N(C)C)cc1 ZINC000734653520 864371439 /nfs/dbraw/zinc/37/14/39/864371439.db2.gz GDKAGMXKMRDRTA-QFIPXVFZSA-N 0 3 382.552 3.726 20 10 GHCDHN COCCOC[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000173392160 864664591 /nfs/dbraw/zinc/66/45/91/864664591.db2.gz QHMQHPAVQFQRCA-AWEZNQCLSA-N 0 3 394.309 3.793 20 10 GHCDHN COCCOC[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000173392160 864664596 /nfs/dbraw/zinc/66/45/96/864664596.db2.gz QHMQHPAVQFQRCA-AWEZNQCLSA-N 0 3 394.309 3.793 20 10 GHCDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000183094111 866220602 /nfs/dbraw/zinc/22/06/02/866220602.db2.gz RARZJIKWCPRIGQ-PKTZIBPZSA-N 0 3 397.515 3.723 20 10 GHCDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741083402 866227698 /nfs/dbraw/zinc/22/76/98/866227698.db2.gz OCZFQCCWFAPXPH-GOSISDBHSA-N 0 3 398.526 3.698 20 10 GHCDHN CCCOc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000121315906 866393294 /nfs/dbraw/zinc/39/32/94/866393294.db2.gz KXBRDMAHPJEEQH-UHFFFAOYSA-N 0 3 384.520 3.953 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)c([O-])c1 ZINC000793387182 882162354 /nfs/dbraw/zinc/16/23/54/882162354.db2.gz AIPPTBBQAYUJPU-LBPRGKRZSA-N 0 3 378.856 3.570 20 10 GHCDHN O=C(NCc1cc(Cl)ccc1O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000857548031 882330831 /nfs/dbraw/zinc/33/08/31/882330831.db2.gz AVJPCINJOZRBLH-QGZVFWFLSA-N 0 3 394.849 3.819 20 10 GHCDHN CN(C)Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000174676289 870735364 /nfs/dbraw/zinc/73/53/64/870735364.db2.gz NOJSJLXLEIYCBP-QHCPKHFHSA-N 0 3 395.547 3.636 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000767192389 872317931 /nfs/dbraw/zinc/31/79/31/872317931.db2.gz QCCOEPWDRIDECP-QGZVFWFLSA-N 0 3 391.437 3.662 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000775650175 872353156 /nfs/dbraw/zinc/35/31/56/872353156.db2.gz RAYSXCHFDRUESE-UHFFFAOYSA-N 0 3 389.293 3.727 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000775650175 872353175 /nfs/dbraw/zinc/35/31/75/872353175.db2.gz RAYSXCHFDRUESE-UHFFFAOYSA-N 0 3 389.293 3.727 20 10 GHCDHN COc1cc(O)c(CN2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000775654270 872389289 /nfs/dbraw/zinc/38/92/89/872389289.db2.gz WDCMLLAMQIPCNP-GDBMZVCRSA-N 0 3 394.512 3.677 20 10 GHCDHN COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000768163077 873124251 /nfs/dbraw/zinc/12/42/51/873124251.db2.gz SBPJXFYHAUQPDS-UWJYYQICSA-N 0 3 399.487 3.514 20 10 GHCDHN COC(=O)[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000768163077 873124259 /nfs/dbraw/zinc/12/42/59/873124259.db2.gz SBPJXFYHAUQPDS-UWJYYQICSA-N 0 3 399.487 3.514 20 10 GHCDHN O=[N+]([O-])c1ccc(N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)cn1 ZINC000768303974 873220129 /nfs/dbraw/zinc/22/01/29/873220129.db2.gz WAKSBSLGUAIUER-UHFFFAOYSA-N 0 3 390.443 3.685 20 10 GHCDHN O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)cn1 ZINC000768303974 873220142 /nfs/dbraw/zinc/22/01/42/873220142.db2.gz WAKSBSLGUAIUER-UHFFFAOYSA-N 0 3 390.443 3.685 20 10 GHCDHN COc1cc(CN2CCC(Oc3c(OC)cccc3OC)CC2)c(O)cc1C ZINC000768439285 873302739 /nfs/dbraw/zinc/30/27/39/873302739.db2.gz KBOBRJDCOBUWHO-UHFFFAOYSA-N 0 3 387.476 3.770 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](COc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463048 873328336 /nfs/dbraw/zinc/32/83/36/873328336.db2.gz QNUQZYLEFIZDSH-AUUYWEPGSA-N 0 3 389.879 3.762 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](COc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463048 873328354 /nfs/dbraw/zinc/32/83/54/873328354.db2.gz QNUQZYLEFIZDSH-AUUYWEPGSA-N 0 3 389.879 3.762 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1OC ZINC000858010314 882713234 /nfs/dbraw/zinc/71/32/34/882713234.db2.gz GPEXFBLHCGVPEN-SFHVURJKSA-N 0 3 384.476 3.725 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000768797111 873588680 /nfs/dbraw/zinc/58/86/80/873588680.db2.gz GWQCBJOSGFGMSD-OAHLLOKOSA-N 0 3 389.883 3.690 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000768797111 873588686 /nfs/dbraw/zinc/58/86/86/873588686.db2.gz GWQCBJOSGFGMSD-OAHLLOKOSA-N 0 3 389.883 3.690 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000769312390 873959160 /nfs/dbraw/zinc/95/91/60/873959160.db2.gz LWOGGYMXRDJVCM-OAHLLOKOSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000769420965 874035860 /nfs/dbraw/zinc/03/58/60/874035860.db2.gz USYBIVXDQIICSF-HNNXBMFYSA-N 0 3 383.410 3.751 20 10 GHCDHN COc1cc(C)c([C@H](C)NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833649 874320912 /nfs/dbraw/zinc/32/09/12/874320912.db2.gz FXIKFESXYHPLGM-IRXDYDNUSA-N 0 3 399.535 3.606 20 10 GHCDHN COc1cc(OC)c(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000775834972 874329057 /nfs/dbraw/zinc/32/90/57/874329057.db2.gz XIVZWLAMIJWNFP-ZDUSSCGKSA-N 0 3 391.899 3.713 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(C)ccc1OC ZINC000772441647 875961406 /nfs/dbraw/zinc/96/14/06/875961406.db2.gz CGMXIVDEQUPXJF-SIKLNZKXSA-N 0 3 395.547 3.946 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000785544287 876097284 /nfs/dbraw/zinc/09/72/84/876097284.db2.gz MOXFGJUFMMFPSL-CQSZACIVSA-N 0 3 377.282 3.532 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000785602489 876126104 /nfs/dbraw/zinc/12/61/04/876126104.db2.gz QKZJURSICWNFGI-ZDUSSCGKSA-N 0 3 384.471 3.765 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3cc(OC)ccc3OC(F)F)C2)cc1 ZINC000850347410 876838749 /nfs/dbraw/zinc/83/87/49/876838749.db2.gz RUVGWPCVHCIUHX-OAHLLOKOSA-N 0 3 378.419 3.674 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(F)c(Br)c3)cc2)CC1 ZINC000850405483 876885574 /nfs/dbraw/zinc/88/55/74/876885574.db2.gz PWESDTXZXAWMQT-UHFFFAOYSA-N 0 3 393.300 3.839 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cncc(Br)c1 ZINC000850569157 877037244 /nfs/dbraw/zinc/03/72/44/877037244.db2.gz VVTBFRRFLANDHR-CQSZACIVSA-N 0 3 390.325 3.656 20 10 GHCDHN O=[N+]([O-])c1cc(CNC[C@H]2COC3(CCCCC3)O2)ccc1N1CCCCC1 ZINC000776495844 877251355 /nfs/dbraw/zinc/25/13/55/877251355.db2.gz BJODKLMXTAETNI-SFHVURJKSA-N 0 3 389.496 3.751 20 10 GHCDHN COc1ccc(O)c(CNCc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000180016687 878382122 /nfs/dbraw/zinc/38/21/22/878382122.db2.gz JTGURDYPAJOHAV-UHFFFAOYSA-N 0 3 380.444 3.543 20 10 GHCDHN COc1cccc(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1O ZINC000788973054 878479811 /nfs/dbraw/zinc/47/98/11/878479811.db2.gz MAJAXLRGOVQRQY-OAHLLOKOSA-N 0 3 395.286 3.993 20 10 GHCDHN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000761523067 879212952 /nfs/dbraw/zinc/21/29/52/879212952.db2.gz QPJMICJWDGEXTK-AWEZNQCLSA-N 0 3 375.856 3.936 20 10 GHCDHN Cc1ccc([C@H](CNC(=O)NCCCSc2nccs2)N(C)C)cc1 ZINC000152845999 879820420 /nfs/dbraw/zinc/82/04/20/879820420.db2.gz ZWHNAJLGPLKDKH-INIZCTEOSA-N 0 3 378.567 3.536 20 10 GHCDHN Cc1cc(O)c(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1C ZINC000790602351 879855512 /nfs/dbraw/zinc/85/55/12/879855512.db2.gz UQCHGEXGAIULAY-UHFFFAOYSA-N 0 3 387.423 3.721 20 10 GHCDHN C[C@H]1OCC[C@]12CN(Cc1ccc(OCc3ccccc3)cc1O)C[C@@H](C)O2 ZINC000790930700 880070170 /nfs/dbraw/zinc/07/01/70/880070170.db2.gz BVEXUQFLRPHYDL-PNCHPQGNSA-N 0 3 383.488 3.740 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000897615949 884136047 /nfs/dbraw/zinc/13/60/47/884136047.db2.gz FXFFDWNFSVVVFH-JTQLQIEISA-N 0 3 387.789 3.853 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142520281 884475539 /nfs/dbraw/zinc/47/55/39/884475539.db2.gz FHFNMNULRZBDAX-RRMPHLOHSA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142520281 884475545 /nfs/dbraw/zinc/47/55/45/884475545.db2.gz FHFNMNULRZBDAX-RRMPHLOHSA-N 0 3 387.474 3.798 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(C=O)c[nH]c4c3)c2)CC1 ZINC000860518380 884759613 /nfs/dbraw/zinc/75/96/13/884759613.db2.gz BMBHHKNVHVJLAL-UHFFFAOYSA-N 0 3 390.487 3.763 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1[O-] ZINC001183874610 912867341 /nfs/dbraw/zinc/86/73/41/912867341.db2.gz BALQORDLXFKTPR-VNVHMNPZSA-N 0 3 384.314 3.525 20 10 GHCDHN C[C@@H]1[C@@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1 ZINC000806958489 885113305 /nfs/dbraw/zinc/11/33/05/885113305.db2.gz IROCSZRXPWEAQP-WBVHZDCISA-N 0 3 390.578 3.588 20 10 GHCDHN CCN1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000919657224 886079377 /nfs/dbraw/zinc/07/93/77/886079377.db2.gz GWORUKJVPVDHRJ-LJQANCHMSA-N 0 3 384.524 3.542 20 10 GHCDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000808681017 886638647 /nfs/dbraw/zinc/63/86/47/886638647.db2.gz SYCAWTLJEFBUEN-OAQYLSRUSA-N 0 3 384.495 3.820 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c([O-])c1 ZINC000809751482 887788090 /nfs/dbraw/zinc/78/80/90/887788090.db2.gz GJVRRHJNTSCSDS-SFHVURJKSA-N 0 3 378.476 3.956 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c([O-])c1 ZINC000809751482 887788103 /nfs/dbraw/zinc/78/81/03/887788103.db2.gz GJVRRHJNTSCSDS-SFHVURJKSA-N 0 3 378.476 3.956 20 10 GHCDHN Oc1cc2c(cc1CN(CCn1ccnc1)Cc1cccc(Cl)c1)OCO2 ZINC000809752775 887794029 /nfs/dbraw/zinc/79/40/29/887794029.db2.gz IKOOMTUQCCWOBZ-UHFFFAOYSA-N 0 3 385.851 3.673 20 10 GHCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809756038 887798009 /nfs/dbraw/zinc/79/80/09/887798009.db2.gz OHEPJPAQGZGUBL-UHFFFAOYSA-N 0 3 396.329 3.834 20 10 GHCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809756038 887798016 /nfs/dbraw/zinc/79/80/16/887798016.db2.gz OHEPJPAQGZGUBL-UHFFFAOYSA-N 0 3 396.329 3.834 20 10 GHCDHN CC[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794813078 888182737 /nfs/dbraw/zinc/18/27/37/888182737.db2.gz BJLYEYQFIJSBMJ-JOCHJYFZSA-N 0 3 395.547 3.870 20 10 GHCDHN CC[C@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794813050 888182965 /nfs/dbraw/zinc/18/29/65/888182965.db2.gz BCVOOCDFBYSTPM-PMACEKPBSA-N 0 3 384.476 3.564 20 10 GHCDHN CCCC[C@@H](C)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000810124499 888188008 /nfs/dbraw/zinc/18/80/08/888188008.db2.gz HRHSBSYHRDLBLI-KURKYZTESA-N 0 3 393.547 3.566 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1[O-] ZINC000810170435 888231664 /nfs/dbraw/zinc/23/16/64/888231664.db2.gz KDITYEHMBDLZPV-QGZVFWFLSA-N 0 3 398.322 3.803 20 10 GHCDHN COc1cccc2c1OCCC[C@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000866244510 888796201 /nfs/dbraw/zinc/79/62/01/888796201.db2.gz PMBHRJRPHZISQC-JOCHJYFZSA-N 0 3 396.531 3.907 20 10 GHCDHN Fc1cc(CN2CC[C@]3(C2)CCc2ccccc2O3)ccc1N1CCOCC1 ZINC000811512856 889705879 /nfs/dbraw/zinc/70/58/79/889705879.db2.gz MDQIDDAFUPVUQV-QHCPKHFHSA-N 0 3 382.479 3.632 20 10 GHCDHN CC(C)Cc1ccc([C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)N(C)C)cc1 ZINC000813752672 891923175 /nfs/dbraw/zinc/92/31/75/891923175.db2.gz LOJQESXVUSKRKZ-CRLZUZNUSA-N 0 3 382.504 3.729 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000813792030 891982033 /nfs/dbraw/zinc/98/20/33/891982033.db2.gz OPVJIZALFCKGMB-CQSZACIVSA-N 0 3 395.272 3.671 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000814176749 892334652 /nfs/dbraw/zinc/33/46/52/892334652.db2.gz UMECANQNDOXGEA-CJNGLKHVSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176749 892334671 /nfs/dbraw/zinc/33/46/71/892334671.db2.gz UMECANQNDOXGEA-CJNGLKHVSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176749 892334689 /nfs/dbraw/zinc/33/46/89/892334689.db2.gz UMECANQNDOXGEA-CJNGLKHVSA-N 0 3 396.915 3.886 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2nc3ccccc3s2)N(C)C)cc1 ZINC001134682004 893219733 /nfs/dbraw/zinc/21/97/33/893219733.db2.gz PYHATPZSJUFOSE-FNDLEWIFSA-N 0 3 394.544 3.795 20 10 GHCDHN CCO[C@H](C)c1nc(CN2CCN(Cc3c(C)cccc3O)CC2)cs1 ZINC000876777225 893325394 /nfs/dbraw/zinc/32/53/94/893325394.db2.gz NOILYJARQCWFJZ-MRXNPFEDSA-N 0 3 375.538 3.572 20 10 GHCDHN Cc1ccccc1OCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881763 893503868 /nfs/dbraw/zinc/50/38/68/893503868.db2.gz GTIYZLQBRIDTGR-OAQYLSRUSA-N 0 3 383.536 3.639 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc3ccccc3n2)N(C)C)cc1 ZINC001134882978 893506698 /nfs/dbraw/zinc/50/66/98/893506698.db2.gz WIGFINYVEGEWNW-IGVGMEOHSA-N 0 3 388.515 3.733 20 10 GHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000022003132 893508953 /nfs/dbraw/zinc/50/89/53/893508953.db2.gz CYWJXTJNZHNIAS-UHFFFAOYSA-N 0 3 382.504 3.790 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000774854616 913801455 /nfs/dbraw/zinc/80/14/55/913801455.db2.gz YEISRVIZCDRENW-APWZRJJASA-N 0 3 399.491 3.966 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000774854616 913801465 /nfs/dbraw/zinc/80/14/65/913801465.db2.gz YEISRVIZCDRENW-APWZRJJASA-N 0 3 399.491 3.966 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000877829106 893838233 /nfs/dbraw/zinc/83/82/33/893838233.db2.gz WIKCOMMTYMMUCX-AWEZNQCLSA-N 0 3 379.426 3.912 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000877923065 893894994 /nfs/dbraw/zinc/89/49/94/893894994.db2.gz ZFTCKWPUFRBHJP-MRXNPFEDSA-N 0 3 394.313 3.593 20 10 GHCDHN CC(C)[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000815558043 893997277 /nfs/dbraw/zinc/99/72/77/893997277.db2.gz OCHHMNIIHPVYCB-RPWUZVMVSA-N 0 3 395.591 3.928 20 10 GHCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000815594061 894032279 /nfs/dbraw/zinc/03/22/79/894032279.db2.gz DTXUNDMLARUXGL-FQEVSTJZSA-N 0 3 395.547 3.789 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816567120 894948711 /nfs/dbraw/zinc/94/87/11/894948711.db2.gz QUCHVQJSNJKFSE-HXUWFJFHSA-N 0 3 396.512 3.952 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816567120 894948722 /nfs/dbraw/zinc/94/87/22/894948722.db2.gz QUCHVQJSNJKFSE-HXUWFJFHSA-N 0 3 396.512 3.952 20 10 GHCDHN O=[N+]([O-])c1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)ccc1N1CCCCC1 ZINC000816656084 894998653 /nfs/dbraw/zinc/99/86/53/894998653.db2.gz DTQWFXXEGKZJCV-NRFANRHFSA-N 0 3 385.508 3.976 20 10 GHCDHN COc1cc(CNCc2ccnc(-c3ccccn3)n2)c(O)c(C(C)(C)C)c1 ZINC000883285645 897445577 /nfs/dbraw/zinc/44/55/77/897445577.db2.gz VOOAZRVSFBEIOK-UHFFFAOYSA-N 0 3 378.476 3.840 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000801546649 921119688 /nfs/dbraw/zinc/11/96/88/921119688.db2.gz WWDFDGAXXZRPJM-UHFFFAOYSA-N 0 3 395.547 3.733 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc4c(c3)OCO4)cc2F)CC1 ZINC000155317079 898608246 /nfs/dbraw/zinc/60/82/46/898608246.db2.gz CWDITURPRJYRPW-MRXNPFEDSA-N 0 3 385.483 3.547 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3ccc4c(c3)OCCCCO4)cc2)CC1 ZINC000823701585 899194370 /nfs/dbraw/zinc/19/43/70/899194370.db2.gz DLLDIPIQQNHSSV-UHFFFAOYSA-N 0 3 396.531 3.737 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000824296085 899507690 /nfs/dbraw/zinc/50/76/90/899507690.db2.gz ADJRTIHYBMFGCQ-UHFFFAOYSA-N 0 3 383.561 3.829 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(CO)c1 ZINC000121302324 900000428 /nfs/dbraw/zinc/00/04/28/900000428.db2.gz LRGOCRYAUPYNAS-OAHLLOKOSA-N 0 3 394.437 3.885 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)NCc3cc(Cl)ccc3O)cc2)CC1 ZINC000844493581 900929801 /nfs/dbraw/zinc/92/98/01/900929801.db2.gz RWCNTGRHIZCJOV-UHFFFAOYSA-N 0 3 388.899 3.509 20 10 GHCDHN Cc1ccc([C@@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C2CCC2)o1 ZINC000886749617 901254016 /nfs/dbraw/zinc/25/40/16/901254016.db2.gz XTMGZKYNBGVXIU-QFIPXVFZSA-N 0 3 381.520 3.921 20 10 GHCDHN CCC(C)(C)N1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC001144204998 901282782 /nfs/dbraw/zinc/28/27/82/901282782.db2.gz CAPPJQPGPHIVHF-UHFFFAOYSA-N 0 3 381.520 3.853 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3ccc(-n4cccc4)cc3)CC2)cc1 ZINC001144252804 901499809 /nfs/dbraw/zinc/49/98/09/901499809.db2.gz XVWGRSUVHGHIAJ-UHFFFAOYSA-N 0 3 391.515 3.825 20 10 GHCDHN C[C@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN(Cc2ccccc2)C1 ZINC000845001454 901629861 /nfs/dbraw/zinc/62/98/61/901629861.db2.gz AZMIAQKZDDKPBK-DEOSSOPVSA-N 0 3 390.531 3.527 20 10 GHCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1O ZINC000846163288 902734792 /nfs/dbraw/zinc/73/47/92/902734792.db2.gz HDSMQSRQKQDMDL-SWLSCSKDSA-N 0 3 394.393 3.876 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1[O-] ZINC000779010521 902778085 /nfs/dbraw/zinc/77/80/85/902778085.db2.gz DDDKFIKHWHLQEE-CYBMUJFWSA-N 0 3 398.322 3.588 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)NCCS(=O)(=O)c2ccccc2)c1O ZINC000779010521 902778091 /nfs/dbraw/zinc/77/80/91/902778091.db2.gz DDDKFIKHWHLQEE-CYBMUJFWSA-N 0 3 398.322 3.588 20 10 GHCDHN COc1cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(O)cc1C ZINC000159719959 903970050 /nfs/dbraw/zinc/97/00/50/903970050.db2.gz CASQMJKGGCTVAK-UHFFFAOYSA-N 0 3 380.488 3.766 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773234482 904600249 /nfs/dbraw/zinc/60/02/49/904600249.db2.gz BHELNWJRMXEVPA-GHTZIAJQSA-N 0 3 380.536 3.777 20 10 GHCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC001171729874 904957789 /nfs/dbraw/zinc/95/77/89/904957789.db2.gz NUKUCNHHGSCNCM-LJQANCHMSA-N 0 3 382.426 3.816 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000779192185 905294146 /nfs/dbraw/zinc/29/41/46/905294146.db2.gz GUPQKISPHLTBQB-LJQANCHMSA-N 0 3 387.277 3.559 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000779192185 905294159 /nfs/dbraw/zinc/29/41/59/905294159.db2.gz GUPQKISPHLTBQB-LJQANCHMSA-N 0 3 387.277 3.559 20 10 GHCDHN COc1ccc(N2CCC(N[C@@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)CC2)cc1 ZINC000365886750 921232799 /nfs/dbraw/zinc/23/27/99/921232799.db2.gz PYSPXAIORSJOKX-INIZCTEOSA-N 0 3 392.507 3.503 20 10 GHCDHN C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185165935 907724597 /nfs/dbraw/zinc/72/45/97/907724597.db2.gz SEQMDMLFDRFHIB-KRWDZBQOSA-N 0 3 376.504 3.543 20 10 GHCDHN COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185255192 907741053 /nfs/dbraw/zinc/74/10/53/907741053.db2.gz LPEXTPZBLAFCGC-KRWDZBQOSA-N 0 3 382.504 3.594 20 10 GHCDHN COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)cc1OC ZINC000186055394 907872942 /nfs/dbraw/zinc/87/29/42/907872942.db2.gz UXGZGTABECPZEI-MRXNPFEDSA-N 0 3 398.503 3.673 20 10 GHCDHN CC1(C)OCc2cc(CNCc3ccc(N4CCC(CO)CC4)cc3)ccc2O1 ZINC000186370142 907915516 /nfs/dbraw/zinc/91/55/16/907915516.db2.gz WZNRHAIKWQREOU-UHFFFAOYSA-N 0 3 396.531 3.830 20 10 GHCDHN CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000187070813 908031414 /nfs/dbraw/zinc/03/14/14/908031414.db2.gz VFZCTFOAWLGNFZ-LBPRGKRZSA-N 0 3 377.282 3.674 20 10 GHCDHN CCCOCc1ccccc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177315067 908521535 /nfs/dbraw/zinc/52/15/35/908521535.db2.gz ITGXSFWWBZGHMP-UHFFFAOYSA-N 0 3 385.527 3.794 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(C(F)(F)F)s3)cc2F)CC1 ZINC001179502631 909572600 /nfs/dbraw/zinc/57/26/00/909572600.db2.gz UXYAQKZPQNIDND-UHFFFAOYSA-N 0 3 387.446 3.948 20 10 GHCDHN CC(C)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000774396125 911707588 /nfs/dbraw/zinc/70/75/88/911707588.db2.gz SQLMVMREUNVVLL-NRFANRHFSA-N 0 3 399.466 3.996 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1OCC(=O)N1CCCC1 ZINC000092705039 911726339 /nfs/dbraw/zinc/72/63/39/911726339.db2.gz OMDHAHRAMSKKGZ-UHFFFAOYSA-N 0 3 382.504 3.806 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1OCC(=O)N1CCCC1 ZINC000092705039 911726386 /nfs/dbraw/zinc/72/63/86/911726386.db2.gz OMDHAHRAMSKKGZ-UHFFFAOYSA-N 0 3 382.504 3.806 20 10 GHCDHN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774481915 911788031 /nfs/dbraw/zinc/78/80/31/911788031.db2.gz JDBGYIZSISOXEI-IAGOWNOFSA-N 0 3 382.508 3.757 20 10 GHCDHN C[C@@H](N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483986 911790706 /nfs/dbraw/zinc/79/07/06/911790706.db2.gz QYTHVIYXAGVJJR-ACJLOTCBSA-N 0 3 379.426 3.519 20 10 GHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC000774507679 911805141 /nfs/dbraw/zinc/80/51/41/911805141.db2.gz LCITZUZTPCMFBI-GFCCVEGCSA-N 0 3 387.423 3.974 20 10 GHCDHN Cc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255834 916664504 /nfs/dbraw/zinc/66/45/04/916664504.db2.gz RMGMADRLQDICJT-MRXNPFEDSA-N 0 3 387.911 3.774 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000775319694 916908318 /nfs/dbraw/zinc/90/83/18/916908318.db2.gz XTJLMYPKRKWGDF-MRXNPFEDSA-N 0 3 394.393 3.705 20 10 GHCDHN O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297216025 919155294 /nfs/dbraw/zinc/15/52/94/919155294.db2.gz GZDRMTDHMIMRIZ-SFHVURJKSA-N 0 3 391.471 3.538 20 10 GHCDHN COC(=O)c1cc(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c[nH]1 ZINC000800276332 919829521 /nfs/dbraw/zinc/82/95/21/919829521.db2.gz MDWSHUNDJQMWJQ-CQSZACIVSA-N 0 3 375.900 3.981 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000367896350 922364478 /nfs/dbraw/zinc/36/44/78/922364478.db2.gz NOVPJPGVNAVXIU-YQQAZPJKSA-N 0 3 392.849 3.710 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000367896349 922364547 /nfs/dbraw/zinc/36/45/47/922364547.db2.gz NOVPJPGVNAVXIU-VYDXJSESSA-N 0 3 392.849 3.710 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000903359997 922957555 /nfs/dbraw/zinc/95/75/55/922957555.db2.gz JXUNYDPAGRPFTG-FZKQIMNGSA-N 0 3 394.313 3.553 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1[O-] ZINC000903368817 922964722 /nfs/dbraw/zinc/96/47/22/922964722.db2.gz URPLYWBTXRDMMM-BWACUDIHSA-N 0 3 382.298 3.773 20 10 GHCDHN C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000903381881 922978549 /nfs/dbraw/zinc/97/85/49/922978549.db2.gz ZJWLDTPIZFYXEI-CXAGYDPISA-N 0 3 378.314 3.893 20 10 GHCDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000826904302 924348265 /nfs/dbraw/zinc/34/82/65/924348265.db2.gz ZXXGNHKQJAULQX-CZTZKLFOSA-N 0 3 385.504 3.627 20 10 GHCDHN COc1cc(CN2CCCN(c3ncccc3F)CC2)c(O)c(C(C)(C)C)c1 ZINC000783978540 931739037 /nfs/dbraw/zinc/73/90/37/931739037.db2.gz BEXVRRANPISAHH-UHFFFAOYSA-N 0 3 387.499 3.945 20 10 GHCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181301 932554180 /nfs/dbraw/zinc/55/41/80/932554180.db2.gz IHZZGTMVTXRPQP-KKXDTOCCSA-N 0 3 386.458 3.830 20 10 GHCDHN Cc1cc(CN2CCC(NC(=O)c3ccncc3)CC2)c(C)n1-c1ccccc1 ZINC001137859364 935829843 /nfs/dbraw/zinc/82/98/43/935829843.db2.gz VHJIWPNXLZAICC-UHFFFAOYSA-N 0 3 388.515 3.884 20 10 GHCDHN COc1ccc(N2CCN(CCCNCc3c(F)cc(C)cc3F)CC2)cc1 ZINC001461004704 1069330994 /nfs/dbraw/zinc/33/09/94/1069330994.db2.gz IWJVEPQMHOSBAR-UHFFFAOYSA-N 0 3 389.490 3.584 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001221893397 1032565766 /nfs/dbraw/zinc/56/57/66/1032565766.db2.gz AQFCAGSXJXRLDX-WIYYLYMNSA-N 0 3 380.536 3.523 20 10 GHCDHN CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c2ccccc21 ZINC001204240207 1032684577 /nfs/dbraw/zinc/68/45/77/1032684577.db2.gz LOHKWMKCAKXJBL-FQEVSTJZSA-N 0 3 397.519 3.922 20 10 GHCDHN CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c2ccccc21 ZINC001204240207 1032684590 /nfs/dbraw/zinc/68/45/90/1032684590.db2.gz LOHKWMKCAKXJBL-FQEVSTJZSA-N 0 3 397.519 3.922 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCc2cc(C3CC3)nn2C)c1O ZINC000927101145 1017353427 /nfs/dbraw/zinc/35/34/27/1017353427.db2.gz RBCVKAOYEOWUIX-SNVBAGLBSA-N 0 3 380.286 3.625 20 10 GHCDHN COCC[C@H](NCc1cc(Br)cc(OC)c1O)c1ccc(C)o1 ZINC000778122304 1018673608 /nfs/dbraw/zinc/67/36/08/1018673608.db2.gz ZKOXUYAXFFJXDU-AWEZNQCLSA-N 0 3 384.270 3.932 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1[O-] ZINC000779011597 1020192408 /nfs/dbraw/zinc/19/24/08/1020192408.db2.gz JMRGGAVYSRRZCZ-HOCLYGCPSA-N 0 3 378.310 3.965 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)CC2 ZINC000834901510 1021650396 /nfs/dbraw/zinc/65/03/96/1021650396.db2.gz BCPNUIVXJADEKI-GUYCJALGSA-N 0 3 394.284 3.722 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000835081581 1021878139 /nfs/dbraw/zinc/87/81/39/1021878139.db2.gz JUDUPIGWVKEOLS-KRWDZBQOSA-N 0 3 386.492 3.661 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000835081581 1021878152 /nfs/dbraw/zinc/87/81/52/1021878152.db2.gz JUDUPIGWVKEOLS-KRWDZBQOSA-N 0 3 386.492 3.661 20 10 GHCDHN [O-]c1cc(F)cc(F)c1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001140584581 1022008267 /nfs/dbraw/zinc/00/82/67/1022008267.db2.gz XOABVMBKUVPGEN-UHFFFAOYSA-N 0 3 394.219 3.680 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(Cc3ccc(OC)cc3)CC2)c(O)c1 ZINC001140854994 1022708932 /nfs/dbraw/zinc/70/89/32/1022708932.db2.gz JEWBMNRIQHIZCF-UHFFFAOYSA-N 0 3 383.536 3.565 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)Cc2ccccc2CNC3=O)c(Cl)c1 ZINC001140924128 1022901463 /nfs/dbraw/zinc/90/14/63/1022901463.db2.gz MIGUPRVUMRDNHD-UHFFFAOYSA-N 0 3 397.950 3.861 20 10 GHCDHN CCN(CC[NH2+]Cc1cc(Br)cc(OC)c1[O-])CCC(F)(F)F ZINC000755220841 1023136222 /nfs/dbraw/zinc/13/62/22/1023136222.db2.gz SWIBNHCUPHTMSB-UHFFFAOYSA-N 0 3 399.251 3.527 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141030898 1023295512 /nfs/dbraw/zinc/29/55/12/1023295512.db2.gz PRESVXGGXROUIR-OAQYLSRUSA-N 0 3 394.512 3.631 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141030898 1023295515 /nfs/dbraw/zinc/29/55/15/1023295515.db2.gz PRESVXGGXROUIR-OAQYLSRUSA-N 0 3 394.512 3.631 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756340532 1023596901 /nfs/dbraw/zinc/59/69/01/1023596901.db2.gz FUDLXFYRYQDXSM-HYVNUMGLSA-N 0 3 389.540 3.719 20 10 GHCDHN COc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)ccc1OCCO ZINC000756455229 1023659426 /nfs/dbraw/zinc/65/94/26/1023659426.db2.gz BPKQSBJXSRXYFI-XEZPLFJOSA-N 0 3 375.440 3.810 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756455327 1023660645 /nfs/dbraw/zinc/66/06/45/1023660645.db2.gz JQCATXMVADJRMM-LSBZLQRGSA-N 0 3 398.478 3.778 20 10 GHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000756537601 1023704122 /nfs/dbraw/zinc/70/41/22/1023704122.db2.gz YJVXGOSDCVEHMA-IIYDPXPESA-N 0 3 392.496 3.681 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756682496 1023771941 /nfs/dbraw/zinc/77/19/41/1023771941.db2.gz DSZFWIOIUWZXBL-AUUYWEPGSA-N 0 3 378.875 3.909 20 10 GHCDHN CCOC(=O)COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756734211 1023792325 /nfs/dbraw/zinc/79/23/25/1023792325.db2.gz WGVDSJWESHDPKD-RDTXWAMCSA-N 0 3 387.451 3.854 20 10 GHCDHN COc1ccc(CN(C)Cc2cc3c4c(c2O)CCCN4CCC3)c(OC)c1 ZINC001138339841 1024701137 /nfs/dbraw/zinc/70/11/37/1024701137.db2.gz LMKQLGVTQRVDCL-UHFFFAOYSA-N 0 3 382.504 3.740 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)[C@@H]2CCCO[C@H]12 ZINC001138355885 1024720320 /nfs/dbraw/zinc/72/03/20/1024720320.db2.gz ASPZZENKMKCVJN-SMIHKQSGSA-N 0 3 395.547 3.526 20 10 GHCDHN CN1CCCc2cc(CN3CC[C@H](Oc4cc(C(F)(F)F)ncn4)C3)ccc21 ZINC001138357131 1024721541 /nfs/dbraw/zinc/72/15/41/1024721541.db2.gz BTNOSZCJVGCXGT-INIZCTEOSA-N 0 3 392.425 3.531 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)ccc1N(C)C ZINC001139671097 1026526417 /nfs/dbraw/zinc/52/64/17/1026526417.db2.gz GUJIZMXPPUMUSI-NRFANRHFSA-N 0 3 377.532 3.557 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC001203628598 1027487778 /nfs/dbraw/zinc/48/77/78/1027487778.db2.gz CHXDLQFYMMDBDK-GWTOYCKXSA-N 0 3 384.451 3.637 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC001203628598 1027487790 /nfs/dbraw/zinc/48/77/90/1027487790.db2.gz CHXDLQFYMMDBDK-GWTOYCKXSA-N 0 3 384.451 3.637 20 10 GHCDHN CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203629426 1027490635 /nfs/dbraw/zinc/49/06/35/1027490635.db2.gz JXFFGKJHLLJKMT-NRFANRHFSA-N 0 3 394.515 3.771 20 10 GHCDHN Cc1nc2c(s1)[C@@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840760926 1027804641 /nfs/dbraw/zinc/80/46/41/1027804641.db2.gz KWJKGAWHRPBIAN-INIZCTEOSA-N 0 3 379.476 3.734 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000840895474 1027928887 /nfs/dbraw/zinc/92/88/87/1027928887.db2.gz YLVHXHZGMOLKDF-FOIQADDNSA-N 0 3 390.524 3.639 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCCC2 ZINC000841744996 1028908297 /nfs/dbraw/zinc/90/82/97/1028908297.db2.gz MBYUQIHEIKWMBM-QFIPXVFZSA-N 0 3 381.476 3.989 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4[nH]cnc43)CC2)cc1 ZINC001142700354 1029284919 /nfs/dbraw/zinc/28/49/19/1029284919.db2.gz UFZCZTVTDQEYNG-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN Cc1ccc(-c2nn(C)cc2CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000842672192 1029476248 /nfs/dbraw/zinc/47/62/48/1029476248.db2.gz SEIJATWXOIEJLB-UHFFFAOYSA-N 0 3 382.533 3.832 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842926192 1029691976 /nfs/dbraw/zinc/69/19/76/1029691976.db2.gz BLYZWFBNHWNEHT-JSGCOSHPSA-N 0 3 398.400 3.806 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)Cc1ccc(C(F)(F)F)cc1 ZINC000842927465 1029692494 /nfs/dbraw/zinc/69/24/94/1029692494.db2.gz PONMWENVPHQIRT-WBVHZDCISA-N 0 3 392.421 3.593 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842927514 1029693303 /nfs/dbraw/zinc/69/33/03/1029693303.db2.gz RJHGQBAXDWSXGG-GOEBONIOSA-N 0 3 394.437 3.975 20 10 GHCDHN CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCC1 ZINC001143191942 1029895868 /nfs/dbraw/zinc/89/58/68/1029895868.db2.gz ULNQPTWSIZXPDO-UHFFFAOYSA-N 0 3 395.494 3.638 20 10 GHCDHN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(O[C@H]2CC[C@@H]3NCCO[C@H]32)=C1 ZINC001218150244 1030798039 /nfs/dbraw/zinc/79/80/39/1030798039.db2.gz CACQVVRWJRWBBL-GBTJRRPOSA-N 0 3 384.392 3.614 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)N(C)C)cc1 ZINC001218818830 1031096031 /nfs/dbraw/zinc/09/60/31/1031096031.db2.gz MGNVJKQAIFOXGU-DENIHFKCSA-N 0 3 396.535 3.681 20 10 GHCDHN CC[C@H](C)NC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001277067172 1031565635 /nfs/dbraw/zinc/56/56/35/1031565635.db2.gz VFIIKKYNXZBLSY-BBRMVZONSA-N 0 3 380.916 3.571 20 10 GHCDHN CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001277067172 1031565643 /nfs/dbraw/zinc/56/56/43/1031565643.db2.gz VFIIKKYNXZBLSY-BBRMVZONSA-N 0 3 380.916 3.571 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001220212629 1031840211 /nfs/dbraw/zinc/84/02/11/1031840211.db2.gz QMTOUAJZAADMNU-NVXWUHKLSA-N 0 3 395.890 3.603 20 10 GHCDHN COc1cccc(OCCN2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC001461847759 1069788992 /nfs/dbraw/zinc/78/89/92/1069788992.db2.gz CNHQAHWMQNAPAZ-UHFFFAOYSA-N 0 3 392.499 3.751 20 10 GHCDHN C[C@](CO)(NCc1ccc(OCc2ccccc2)cc1O)c1cccc(O)c1 ZINC001206742989 1033964668 /nfs/dbraw/zinc/96/46/68/1033964668.db2.gz OHJLZXDTFDUXIL-HSZRJFAPSA-N 0 3 379.456 3.674 20 10 GHCDHN COC(=O)c1c(CNCC2(OC)CCCCCC2)c2cc(F)ccc2n1C ZINC001207748053 1034553893 /nfs/dbraw/zinc/55/38/93/1034553893.db2.gz GDZMXVKZKSUWNC-UHFFFAOYSA-N 0 3 376.472 3.933 20 10 GHCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])ccc3ccccc32)N1Cc1cccnc1 ZINC001231587046 1034739395 /nfs/dbraw/zinc/73/93/95/1034739395.db2.gz IPXVLHOQVUGNIG-FGZHOGPDSA-N 0 3 387.483 3.706 20 10 GHCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])ccc3ccccc32)N1Cc1cccnc1 ZINC001231587046 1034739409 /nfs/dbraw/zinc/73/94/09/1034739409.db2.gz IPXVLHOQVUGNIG-FGZHOGPDSA-N 0 3 387.483 3.706 20 10 GHCDHN COCCOc1cccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c1 ZINC001231590564 1034744963 /nfs/dbraw/zinc/74/49/63/1034744963.db2.gz HSKBWNIUGGHVOE-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN Cc1cccc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1O ZINC001231591616 1034745682 /nfs/dbraw/zinc/74/56/82/1034745682.db2.gz GUKONNLNWWCDQI-JTHBVZDNSA-N 0 3 382.504 3.684 20 10 GHCDHN COc1cc(CN2CCC[C@H](OCc3ccc(Cl)cc3)C2)c(O)cc1O ZINC001231635269 1034794988 /nfs/dbraw/zinc/79/49/88/1034794988.db2.gz DQSDGGIPACHBPD-KRWDZBQOSA-N 0 3 377.868 3.941 20 10 GHCDHN COc1cc(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c(O)cc1O ZINC001231637042 1034795181 /nfs/dbraw/zinc/79/51/81/1034795181.db2.gz YQLZBZUECNXCTE-UHFFFAOYSA-N 0 3 391.427 3.614 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001231852537 1034943828 /nfs/dbraw/zinc/94/38/28/1034943828.db2.gz XPNQWVKXJIUSQC-UHFFFAOYSA-N 0 3 389.540 3.737 20 10 GHCDHN Cc1cc([O-])c(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)cc1Cl ZINC001231867529 1034953814 /nfs/dbraw/zinc/95/38/14/1034953814.db2.gz OAPCZPOKWGSOEB-UHFFFAOYSA-N 0 3 390.911 3.814 20 10 GHCDHN Cc1cc2ncnc(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3[O-])c2[nH]1 ZINC001160618766 1035018012 /nfs/dbraw/zinc/01/80/12/1035018012.db2.gz KMXMPXJDLPNMNF-RTBURBONSA-N 0 3 375.432 3.531 20 10 GHCDHN CC(C)Oc1nccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160623113 1035018477 /nfs/dbraw/zinc/01/84/77/1035018477.db2.gz FVGGQNOTFSZQBJ-RTBURBONSA-N 0 3 380.448 3.528 20 10 GHCDHN CC(C)COc1nccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160624485 1035019399 /nfs/dbraw/zinc/01/93/99/1035019399.db2.gz OQNNPBQVHKVNPC-WOJBJXKFSA-N 0 3 394.475 3.776 20 10 GHCDHN COc1ccc(CN2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1OC ZINC001461959897 1069915439 /nfs/dbraw/zinc/91/54/39/1069915439.db2.gz LFUNSQXOOWVICT-HOCLYGCPSA-N 0 3 394.512 3.535 20 10 GHCDHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462044477 1069963994 /nfs/dbraw/zinc/96/39/94/1069963994.db2.gz MCEYCVYDJLLVEH-INIZCTEOSA-N 0 3 375.310 3.861 20 10 GHCDHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462044477 1069963995 /nfs/dbraw/zinc/96/39/95/1069963995.db2.gz MCEYCVYDJLLVEH-INIZCTEOSA-N 0 3 375.310 3.861 20 10 GHCDHN CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754291 1039592368 /nfs/dbraw/zinc/59/23/68/1039592368.db2.gz CLRDNLSQRJMWQS-CYBMUJFWSA-N 0 3 375.387 3.845 20 10 GHCDHN CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754291 1039592381 /nfs/dbraw/zinc/59/23/81/1039592381.db2.gz CLRDNLSQRJMWQS-CYBMUJFWSA-N 0 3 375.387 3.845 20 10 GHCDHN COc1cccc([C@@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001253975930 1039932166 /nfs/dbraw/zinc/93/21/66/1039932166.db2.gz ITTSDAGORXDIPA-QFIPXVFZSA-N 0 3 383.511 3.923 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC(=O)N(C(C)C)C4)CC3)c2c1 ZINC001234570094 1040138695 /nfs/dbraw/zinc/13/86/95/1040138695.db2.gz XJUUGHASOZXMJI-UHFFFAOYSA-N 0 3 382.504 3.777 20 10 GHCDHN CCN1CCN(c2ccc(O[C@@H]3CCCN(c4ccc(C)cn4)C3)cc2)CC1 ZINC001234661164 1040195616 /nfs/dbraw/zinc/19/56/16/1040195616.db2.gz QQBRBVALKVPBPM-JOCHJYFZSA-N 0 3 380.536 3.580 20 10 GHCDHN C[C@H]([NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1[O-] ZINC001254717145 1040476035 /nfs/dbraw/zinc/47/60/35/1040476035.db2.gz DBBGCJMMLQQNCC-YPHUNTSASA-N 0 3 390.524 3.992 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234989113 1040485216 /nfs/dbraw/zinc/48/52/16/1040485216.db2.gz STTMFSTWWURLNN-WOJBJXKFSA-N 0 3 388.467 3.856 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c([O-])c1 ZINC001235680455 1041144567 /nfs/dbraw/zinc/14/45/67/1041144567.db2.gz VIQWPAMWYHKQDD-ACDBMABISA-N 0 3 382.504 3.667 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c([O-])c1 ZINC001235680455 1041144577 /nfs/dbraw/zinc/14/45/77/1041144577.db2.gz VIQWPAMWYHKQDD-ACDBMABISA-N 0 3 382.504 3.667 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001236669048 1041816358 /nfs/dbraw/zinc/81/63/58/1041816358.db2.gz LFPPIFLBMLXFRQ-LJQANCHMSA-N 0 3 387.321 3.878 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001236669048 1041816360 /nfs/dbraw/zinc/81/63/60/1041816360.db2.gz LFPPIFLBMLXFRQ-LJQANCHMSA-N 0 3 387.321 3.878 20 10 GHCDHN COc1cc(O)c(CN2CCN([C@H]3CCCc4ccccc43)CC2)cc1OC ZINC001236755387 1041873911 /nfs/dbraw/zinc/87/39/11/1041873911.db2.gz CTMPPQORQLTVEA-FQEVSTJZSA-N 0 3 382.504 3.605 20 10 GHCDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)[C@@H](c2ccccc2)C1 ZINC001236754665 1041874009 /nfs/dbraw/zinc/87/40/09/1041874009.db2.gz UFLZPTHMLVUDHM-SJLPKXTDSA-N 0 3 385.460 3.536 20 10 GHCDHN CCc1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c(O)c1 ZINC001236786487 1041891423 /nfs/dbraw/zinc/89/14/23/1041891423.db2.gz DYGLSYMHWCYTKE-WAOWUJCRSA-N 0 3 388.533 3.607 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789685 1041896048 /nfs/dbraw/zinc/89/60/48/1041896048.db2.gz QIDWMUOBPQQIJW-RPWUZVMVSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789685 1041896050 /nfs/dbraw/zinc/89/60/50/1041896050.db2.gz QIDWMUOBPQQIJW-RPWUZVMVSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc([O-])c(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)c(Cl)c1 ZINC001236795486 1041899229 /nfs/dbraw/zinc/89/92/29/1041899229.db2.gz MTFFLFLLCDZGLG-HDICACEKSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc([O-])c(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)c(Cl)c1 ZINC001236795486 1041899233 /nfs/dbraw/zinc/89/92/33/1041899233.db2.gz MTFFLFLLCDZGLG-HDICACEKSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c([O-])c1 ZINC001236806868 1041907903 /nfs/dbraw/zinc/90/79/03/1041907903.db2.gz AOAYXEZMQVSUQF-UHFFFAOYSA-N 0 3 381.501 3.829 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c([O-])c1 ZINC001236806868 1041907904 /nfs/dbraw/zinc/90/79/04/1041907904.db2.gz AOAYXEZMQVSUQF-UHFFFAOYSA-N 0 3 381.501 3.829 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c([O-])c1 ZINC001236810768 1041910219 /nfs/dbraw/zinc/91/02/19/1041910219.db2.gz IUBXUJMDDUTRSM-UHFFFAOYSA-N 0 3 395.425 3.835 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c([O-])c1 ZINC001236810768 1041910220 /nfs/dbraw/zinc/91/02/20/1041910220.db2.gz IUBXUJMDDUTRSM-UHFFFAOYSA-N 0 3 395.425 3.835 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c(O)c1 ZINC001236815029 1041912287 /nfs/dbraw/zinc/91/22/87/1041912287.db2.gz GLIZPXKUOCTDBF-UHFFFAOYSA-N 0 3 396.409 3.930 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001236828517 1041919888 /nfs/dbraw/zinc/91/98/88/1041919888.db2.gz AMVXEJWVQCPBCB-XXBNENTESA-N 0 3 394.446 3.607 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001236828517 1041919890 /nfs/dbraw/zinc/91/98/90/1041919890.db2.gz AMVXEJWVQCPBCB-XXBNENTESA-N 0 3 394.446 3.607 20 10 GHCDHN NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)cc1 ZINC001236836148 1041923048 /nfs/dbraw/zinc/92/30/48/1041923048.db2.gz YEJHFEQYFVGKBO-OAQYLSRUSA-N 0 3 376.456 3.688 20 10 GHCDHN NC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)cc1 ZINC001236836148 1041923051 /nfs/dbraw/zinc/92/30/51/1041923051.db2.gz YEJHFEQYFVGKBO-OAQYLSRUSA-N 0 3 376.456 3.688 20 10 GHCDHN C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc2ccccc2cc1[O-] ZINC001236838170 1041923356 /nfs/dbraw/zinc/92/33/56/1041923356.db2.gz WSQONHNSTPYOFD-UHFFFAOYSA-N 0 3 399.535 3.530 20 10 GHCDHN C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc2ccccc2cc1[O-] ZINC001236838170 1041923359 /nfs/dbraw/zinc/92/33/59/1041923359.db2.gz WSQONHNSTPYOFD-UHFFFAOYSA-N 0 3 399.535 3.530 20 10 GHCDHN CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236838787 1041924031 /nfs/dbraw/zinc/92/40/31/1041924031.db2.gz CGCSYXGTIGXVAU-OAQYLSRUSA-N 0 3 396.531 3.642 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)c([O-])c1 ZINC001237041013 1042000885 /nfs/dbraw/zinc/00/08/85/1042000885.db2.gz OBVWFXLEZNWUMD-OAQYLSRUSA-N 0 3 394.515 3.771 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043177 1042002801 /nfs/dbraw/zinc/00/28/01/1042002801.db2.gz MHDDVFMOTFKJBY-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043177 1042002806 /nfs/dbraw/zinc/00/28/06/1042002806.db2.gz MHDDVFMOTFKJBY-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001237081426 1042026327 /nfs/dbraw/zinc/02/63/27/1042026327.db2.gz XKVPCBHFHHJTJY-ZIAGYGMSSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001237081426 1042026330 /nfs/dbraw/zinc/02/63/30/1042026330.db2.gz XKVPCBHFHHJTJY-ZIAGYGMSSA-N 0 3 378.303 3.658 20 10 GHCDHN Oc1cccc(OC(F)(F)F)c1CN1CCC(COc2cccnc2)CC1 ZINC001237116551 1042047181 /nfs/dbraw/zinc/04/71/81/1042047181.db2.gz KCBVCKNNJREDGU-UHFFFAOYSA-N 0 3 382.382 3.977 20 10 GHCDHN CN(Cc1c(O)cccc1OC(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237123257 1042050928 /nfs/dbraw/zinc/05/09/28/1042050928.db2.gz OFJVTQSIFIQQAG-LBPRGKRZSA-N 0 3 390.402 3.732 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237135922 1042057605 /nfs/dbraw/zinc/05/76/05/1042057605.db2.gz ABEMELBJIUOWOU-GASCZTMLSA-N 0 3 396.434 3.677 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237135922 1042057608 /nfs/dbraw/zinc/05/76/08/1042057608.db2.gz ABEMELBJIUOWOU-GASCZTMLSA-N 0 3 396.434 3.677 20 10 GHCDHN CCOCC[N@H+](Cc1c(C)cccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237495803 1042235568 /nfs/dbraw/zinc/23/55/68/1042235568.db2.gz VWCVSWQZUWNIBC-UHFFFAOYSA-N 0 3 392.540 3.939 20 10 GHCDHN CCOCC[N@@H+](Cc1c(C)cccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237495803 1042235569 /nfs/dbraw/zinc/23/55/69/1042235569.db2.gz VWCVSWQZUWNIBC-UHFFFAOYSA-N 0 3 392.540 3.939 20 10 GHCDHN COc1cc(CN2CCC(Oc3ccc(F)cc3F)CC2)c(O)c(OC)c1 ZINC001237676611 1042318617 /nfs/dbraw/zinc/31/86/17/1042318617.db2.gz QLUXCXJPVWHHRD-UHFFFAOYSA-N 0 3 379.403 3.731 20 10 GHCDHN COC(=O)c1ccc([C@H]2CCCCN2Cc2cc(OC)cc(OC)c2O)cc1 ZINC001237678165 1042319261 /nfs/dbraw/zinc/31/92/61/1042319261.db2.gz VMZAWTCUYBZZSN-LJQANCHMSA-N 0 3 385.460 3.923 20 10 GHCDHN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684122 1042324794 /nfs/dbraw/zinc/32/47/94/1042324794.db2.gz RNVIBMPZOBBOGR-LJQANCHMSA-N 0 3 395.341 3.830 20 10 GHCDHN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684122 1042324796 /nfs/dbraw/zinc/32/47/96/1042324796.db2.gz RNVIBMPZOBBOGR-LJQANCHMSA-N 0 3 395.341 3.830 20 10 GHCDHN Cc1cc([O-])c(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)cc1Br ZINC001237684487 1042325961 /nfs/dbraw/zinc/32/59/61/1042325961.db2.gz LLMMWEVPSQJZAS-UHFFFAOYSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1[O-] ZINC001237686604 1042326423 /nfs/dbraw/zinc/32/64/23/1042326423.db2.gz SFPMMECBSMEOIJ-IYBDPMFKSA-N 0 3 376.909 3.620 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1[O-] ZINC001237686604 1042326428 /nfs/dbraw/zinc/32/64/28/1042326428.db2.gz SFPMMECBSMEOIJ-IYBDPMFKSA-N 0 3 376.909 3.620 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)c1[O-] ZINC001237686348 1042326987 /nfs/dbraw/zinc/32/69/87/1042326987.db2.gz IFPAFAHRKOQCGR-GHTZIAJQSA-N 0 3 394.943 3.640 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)c1[O-] ZINC001237686348 1042326994 /nfs/dbraw/zinc/32/69/94/1042326994.db2.gz IFPAFAHRKOQCGR-GHTZIAJQSA-N 0 3 394.943 3.640 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001237689639 1042328337 /nfs/dbraw/zinc/32/83/37/1042328337.db2.gz OPHLXFRTGCJKBV-MSOLQXFVSA-N 0 3 377.843 3.882 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001237689639 1042328344 /nfs/dbraw/zinc/32/83/44/1042328344.db2.gz OPHLXFRTGCJKBV-MSOLQXFVSA-N 0 3 377.843 3.882 20 10 GHCDHN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cc(F)cc(C)c3[O-])C[C@H]12 ZINC001238061181 1042479038 /nfs/dbraw/zinc/47/90/38/1042479038.db2.gz NOECCTUYEMVTHS-GMAHTHKFSA-N 0 3 382.479 3.604 20 10 GHCDHN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C[C@H]12 ZINC001238061181 1042479039 /nfs/dbraw/zinc/47/90/39/1042479039.db2.gz NOECCTUYEMVTHS-GMAHTHKFSA-N 0 3 382.479 3.604 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H](Cc3ccccc3)[C@H](O)C2)c(C(F)(F)F)c1 ZINC001462635017 1070431572 /nfs/dbraw/zinc/43/15/72/1070431572.db2.gz BPJYZFVHDAKKIS-YLJYHZDGSA-N 0 3 378.438 3.807 20 10 GHCDHN COc1cc(C[C@@H](C)N2CCCc3cc(O)c(O)cc3C2)cc(OC)c1OC ZINC001258878145 1044825751 /nfs/dbraw/zinc/82/57/51/1044825751.db2.gz LVDCKYNNXCBJNO-CQSZACIVSA-N 0 3 387.476 3.503 20 10 GHCDHN CN1CC2(C1)CCC[N@H+](Cc1c([O-])ccc3cc(Br)ccc31)C2 ZINC001279708402 1047927278 /nfs/dbraw/zinc/92/72/78/1047927278.db2.gz HHILLEGDCDNYLT-UHFFFAOYSA-N 0 3 375.310 3.836 20 10 GHCDHN CN1CC2(C1)CCC[N@@H+](Cc1c([O-])ccc3cc(Br)ccc31)C2 ZINC001279708402 1047927279 /nfs/dbraw/zinc/92/72/79/1047927279.db2.gz HHILLEGDCDNYLT-UHFFFAOYSA-N 0 3 375.310 3.836 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn(Cc3ccccc3)c2)N(C)C)cc1 ZINC001463284532 1070962407 /nfs/dbraw/zinc/96/24/07/1070962407.db2.gz RKNBQQQGFFMHPX-HSZRJFAPSA-N 0 3 390.531 3.635 20 10 GHCDHN COc1ccc(N2CCN(CCNCc3ccc(-c4ccccc4)o3)CC2)cc1 ZINC001308234122 1049921657 /nfs/dbraw/zinc/92/16/57/1049921657.db2.gz MSPMOSPLIRPCRN-UHFFFAOYSA-N 0 3 391.515 3.867 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 ZINC001308289800 1049939441 /nfs/dbraw/zinc/93/94/41/1049939441.db2.gz KWDKWWOXBIVDDC-AAIMPIBUSA-N 0 3 377.532 3.812 20 10 GHCDHN CCCc1cnc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001310483105 1051388886 /nfs/dbraw/zinc/38/88/86/1051388886.db2.gz GNXAFESFVMKPNO-KRWDZBQOSA-N 0 3 375.542 3.586 20 10 GHCDHN CC1CCN([C@@H](CNC(=O)N2Cc3cccc(O)c3C2)c2ccccc2)CC1 ZINC001311660656 1052310896 /nfs/dbraw/zinc/31/08/96/1052310896.db2.gz XZCHAQHJZZWVMQ-NRFANRHFSA-N 0 3 379.504 3.891 20 10 GHCDHN Cc1cc(C)c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001311737669 1052365137 /nfs/dbraw/zinc/36/51/37/1052365137.db2.gz VRCXHYFWEMAXNP-QFIPXVFZSA-N 0 3 382.552 3.780 20 10 GHCDHN C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1 ZINC001311987389 1052516012 /nfs/dbraw/zinc/51/60/12/1052516012.db2.gz CEMLOFVAKMYSHH-HXUWFJFHSA-N 0 3 394.563 3.949 20 10 GHCDHN C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)Cc2ccccc21 ZINC001313414881 1053047584 /nfs/dbraw/zinc/04/75/84/1053047584.db2.gz PBAVVXVJNMOKMW-HTAPYJJXSA-N 0 3 380.536 3.684 20 10 GHCDHN Cc1cncc([C@H]2CCCN2C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001313419886 1053049277 /nfs/dbraw/zinc/04/92/77/1053049277.db2.gz VAOVGJHIPZWVMF-FGZHOGPDSA-N 0 3 395.551 3.605 20 10 GHCDHN CC(C)N1C[C@H](NCc2ccc(N3CCCCC3)c(Br)c2)CC1=O ZINC001200655385 1056607645 /nfs/dbraw/zinc/60/76/45/1056607645.db2.gz VXASSPXNQYKUMK-MRXNPFEDSA-N 0 3 394.357 3.538 20 10 GHCDHN CSc1ccccc1[C@@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001322615428 1056771197 /nfs/dbraw/zinc/77/11/97/1056771197.db2.gz VJQCBFTXRSXSBU-SJLPKXTDSA-N 0 3 383.561 3.961 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCNc2ccccn2)c1[O-] ZINC000848530830 1057152661 /nfs/dbraw/zinc/15/26/61/1057152661.db2.gz HHMGBYIUVXUGNO-GFCCVEGCSA-N 0 3 380.286 3.711 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCNc2ccccn2)c1[O-] ZINC000848530831 1057152818 /nfs/dbraw/zinc/15/28/18/1057152818.db2.gz HHMGBYIUVXUGNO-LBPRGKRZSA-N 0 3 380.286 3.711 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000848536152 1057158061 /nfs/dbraw/zinc/15/80/61/1057158061.db2.gz LKIUCSQXFXCRAU-IAQYHMDHSA-N 0 3 398.272 3.557 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCc2c3c(nn2C)CCCC3)c1O ZINC000848551832 1057173253 /nfs/dbraw/zinc/17/32/53/1057173253.db2.gz VBJSRHYRYIUZTP-LLVKDONJSA-N 0 3 394.313 3.626 20 10 GHCDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(N4CCCCC4)c(C)c3)CC2)no1 ZINC001326500968 1057498524 /nfs/dbraw/zinc/49/85/24/1057498524.db2.gz AWKNTBVCSYJZGE-UHFFFAOYSA-N 0 3 396.535 3.676 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(-c3ccco3)s2)N(C)C)cc1 ZINC001439960508 1058366959 /nfs/dbraw/zinc/36/69/59/1058366959.db2.gz MCDOVRQLQZFJMW-MRXNPFEDSA-N 0 3 384.505 3.502 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4cc(O)ccc43)c2)CC1 ZINC001448058534 1060093250 /nfs/dbraw/zinc/09/32/50/1060093250.db2.gz XNOFRGNQGMSQNE-UHFFFAOYSA-N 0 3 375.472 3.940 20 10 GHCDHN Cc1ccccc1C[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001468433617 1067730164 /nfs/dbraw/zinc/73/01/64/1067730164.db2.gz QKUNQMSZBMYKFZ-XMSQKQJNSA-N 0 3 382.552 3.594 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)c2c1 ZINC000766117234 1068136176 /nfs/dbraw/zinc/13/61/76/1068136176.db2.gz FRLFPJIBEQQVAM-KUHUBIRLSA-N 0 3 386.492 3.899 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)c2c1 ZINC000766117234 1068136181 /nfs/dbraw/zinc/13/61/81/1068136181.db2.gz FRLFPJIBEQQVAM-KUHUBIRLSA-N 0 3 386.492 3.899 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC001473424156 1073958823 /nfs/dbraw/zinc/95/88/23/1073958823.db2.gz HKXJEAYLSVQDBO-OAHLLOKOSA-N 0 3 387.455 3.870 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC001473424156 1073958827 /nfs/dbraw/zinc/95/88/27/1073958827.db2.gz HKXJEAYLSVQDBO-OAHLLOKOSA-N 0 3 387.455 3.870 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC001473916757 1074202311 /nfs/dbraw/zinc/20/23/11/1074202311.db2.gz HRAZCCAQSQKZJM-QFIPXVFZSA-N 0 3 377.532 3.958 20 10 GHCDHN CCOCc1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OC ZINC001655608383 1126255466 /nfs/dbraw/zinc/25/54/66/1126255466.db2.gz CZLOJXHMPUVZOZ-QUCCMNQESA-N 0 3 397.437 3.856 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000311301725 838323661 /nfs/dbraw/zinc/32/36/61/838323661.db2.gz IFKZYFQPYVCUHF-OAHLLOKOSA-N 0 3 384.904 3.933 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1F ZINC000162642947 841821205 /nfs/dbraw/zinc/82/12/05/841821205.db2.gz CCCKKDGAILEAIV-UHFFFAOYSA-N 0 3 375.532 3.896 20 10 GHCDHN COCCN1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000730788811 861283435 /nfs/dbraw/zinc/28/34/35/861283435.db2.gz AMDARCUFILFEPB-FQEVSTJZSA-N 0 3 383.536 3.668 20 10 GHCDHN COc1cc(CNCc2ccc3c(c2)CCO3)cc(Br)c1OC ZINC000101600001 842619677 /nfs/dbraw/zinc/61/96/77/842619677.db2.gz BQVFBIQTULEAJU-UHFFFAOYSA-N 0 3 378.266 3.691 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000054153159 845001624 /nfs/dbraw/zinc/00/16/24/845001624.db2.gz RJKIVJSUNNOTKL-MRXNPFEDSA-N 0 3 388.533 3.503 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000732229743 862162294 /nfs/dbraw/zinc/16/22/94/862162294.db2.gz DSPPUDZVZLUSMR-MRXNPFEDSA-N 0 3 378.875 3.948 20 10 GHCDHN CCOc1ccc(CNCC(=O)Nc2ccc(Br)c(C)c2)c(O)c1 ZINC000732231543 862163472 /nfs/dbraw/zinc/16/34/72/862163472.db2.gz RFWKGOLSIJMRDD-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)c([O-])c1 ZINC000732231543 862163479 /nfs/dbraw/zinc/16/34/79/862163479.db2.gz RFWKGOLSIJMRDD-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC000029656434 853359625 /nfs/dbraw/zinc/35/96/25/853359625.db2.gz DNDXWCJUNJMQQY-KRWDZBQOSA-N 0 3 390.549 3.885 20 10 GHCDHN O=C(NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1c(F)cccc1F ZINC000732987123 862641051 /nfs/dbraw/zinc/64/10/51/862641051.db2.gz UFEOEWGFCREOHS-UHFFFAOYSA-N 0 3 382.410 3.857 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765895620 855925221 /nfs/dbraw/zinc/92/52/21/855925221.db2.gz XBGKENCGUWHLSE-GHTZIAJQSA-N 0 3 381.520 3.834 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c1[O-] ZINC000761216900 859355115 /nfs/dbraw/zinc/35/51/15/859355115.db2.gz ZMYWKFLQLTUKQF-UHFFFAOYSA-N 0 3 384.867 3.713 20 10 GHCDHN C[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000764564208 859510176 /nfs/dbraw/zinc/51/01/76/859510176.db2.gz PMDGQIRYXFDMRM-NVXWUHKLSA-N 0 3 388.895 3.667 20 10 GHCDHN Cc1c(Cl)cccc1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765372080 859932642 /nfs/dbraw/zinc/93/26/42/859932642.db2.gz RFNPRHAMASXZNS-INIZCTEOSA-N 0 3 387.911 3.774 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000765431108 859971960 /nfs/dbraw/zinc/97/19/60/859971960.db2.gz FIJMYGYBUWJJDD-JKSUJKDBSA-N 0 3 375.538 3.926 20 10 GHCDHN CCCN(CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1ccccc1O ZINC000727830869 860283897 /nfs/dbraw/zinc/28/38/97/860283897.db2.gz SDGHMYATNQPTMO-OAHLLOKOSA-N 0 3 376.447 3.630 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000727831014 860284076 /nfs/dbraw/zinc/28/40/76/860284076.db2.gz CDZHPUVYTXYIQM-UHFFFAOYSA-N 0 3 380.444 3.869 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000727831014 860284082 /nfs/dbraw/zinc/28/40/82/860284082.db2.gz CDZHPUVYTXYIQM-UHFFFAOYSA-N 0 3 380.444 3.869 20 10 GHCDHN CCCN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000727831162 860284451 /nfs/dbraw/zinc/28/44/51/860284451.db2.gz LKJOBZSMZXYTRT-UHFFFAOYSA-N 0 3 392.446 3.864 20 10 GHCDHN CCCN(CC(=O)NCc1cc(Cl)ccc1OC)Cc1ccccc1O ZINC000727830702 860504679 /nfs/dbraw/zinc/50/46/79/860504679.db2.gz HSMWRDLVHIEBLH-UHFFFAOYSA-N 0 3 376.884 3.583 20 10 GHCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2cnccc2o1 ZINC000896263861 860587866 /nfs/dbraw/zinc/58/78/66/860587866.db2.gz IUYPXPWVZXAVIP-BEFAXECRSA-N 0 3 395.507 3.557 20 10 GHCDHN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000160079287 863302730 /nfs/dbraw/zinc/30/27/30/863302730.db2.gz BADIGQLUPIRLTC-UHFFFAOYSA-N 0 3 393.531 3.743 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000174371697 865739317 /nfs/dbraw/zinc/73/93/17/865739317.db2.gz QSVDMFSHRALEJD-INIZCTEOSA-N 0 3 384.476 3.793 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1F ZINC000740003881 865824157 /nfs/dbraw/zinc/82/41/57/865824157.db2.gz ACPUXQBOLLSFPV-OAHLLOKOSA-N 0 3 393.528 3.894 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1[O-] ZINC000740007470 865825231 /nfs/dbraw/zinc/82/52/31/865825231.db2.gz SSRLTEBBTUYXDW-XIKOKIGWSA-N 0 3 386.330 3.830 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000741257714 866357835 /nfs/dbraw/zinc/35/78/35/866357835.db2.gz IJGDGCJDURHXGH-RUZDIDTESA-N 0 3 388.511 3.786 20 10 GHCDHN Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741784097 866787866 /nfs/dbraw/zinc/78/78/66/866787866.db2.gz GNQNMPSXLPFFPA-UHFFFAOYSA-N 0 3 384.524 3.807 20 10 GHCDHN Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741784097 866787878 /nfs/dbraw/zinc/78/78/78/866787878.db2.gz GNQNMPSXLPFFPA-UHFFFAOYSA-N 0 3 384.524 3.807 20 10 GHCDHN COc1cc(Cl)cc(CN[C@@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330418 867275844 /nfs/dbraw/zinc/27/58/44/867275844.db2.gz AZELKNNHMJRFMF-AWEZNQCLSA-N 0 3 375.774 3.896 20 10 GHCDHN CC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@]2(CCOC2)O1 ZINC000793361721 882126502 /nfs/dbraw/zinc/12/65/02/882126502.db2.gz PDXFGQQFZCZFJI-REWPJTCUSA-N 0 3 383.488 3.741 20 10 GHCDHN C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCCC1 ZINC000743735074 868398765 /nfs/dbraw/zinc/39/87/65/868398765.db2.gz CPUOJADIWRYKGJ-SJORKVTESA-N 0 3 395.494 3.638 20 10 GHCDHN CCCN(CC(=O)N1CCN([C@H](C)c2ccccc2)CC1)Cc1ccccc1O ZINC000743869804 868466237 /nfs/dbraw/zinc/46/62/37/868466237.db2.gz ARUTWYYYGRGHAP-HXUWFJFHSA-N 0 3 395.547 3.510 20 10 GHCDHN Cc1ccc(O)c([C@@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 ZINC000793557867 882266344 /nfs/dbraw/zinc/26/63/44/882266344.db2.gz BLHPOTDAXFLCQB-GFCCVEGCSA-N 0 3 387.423 3.974 20 10 GHCDHN COc1ncc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000793529763 882279501 /nfs/dbraw/zinc/27/95/01/882279501.db2.gz UYPSFAZYKKVOPU-CABCVRRESA-N 0 3 375.900 3.992 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C[C@@H]1C(F)(F)F ZINC001168525256 882297874 /nfs/dbraw/zinc/29/78/74/882297874.db2.gz SQCPPIQQUHEMFR-TZMCWYRMSA-N 0 3 390.402 3.518 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C[C@@H]1C(F)(F)F ZINC001168525253 882298847 /nfs/dbraw/zinc/29/88/47/882298847.db2.gz SQCPPIQQUHEMFR-GXTWGEPZSA-N 0 3 390.402 3.518 20 10 GHCDHN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1Cc1ccccc1 ZINC000745787423 869809910 /nfs/dbraw/zinc/80/99/10/869809910.db2.gz ZOLCEGWBUZFTIJ-SFHVURJKSA-N 0 3 398.526 3.698 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000746055199 869985458 /nfs/dbraw/zinc/98/54/58/869985458.db2.gz XDKZIGKKUORZSA-JOCHJYFZSA-N 0 3 380.536 3.559 20 10 GHCDHN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000920867614 882425862 /nfs/dbraw/zinc/42/58/62/882425862.db2.gz VUVSMMQENDUQNS-KURKYZTESA-N 0 3 399.510 3.579 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](COc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463053 873327937 /nfs/dbraw/zinc/32/79/37/873327937.db2.gz QNUQZYLEFIZDSH-KUHUBIRLSA-N 0 3 389.879 3.762 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](COc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463053 873327953 /nfs/dbraw/zinc/32/79/53/873327953.db2.gz QNUQZYLEFIZDSH-KUHUBIRLSA-N 0 3 389.879 3.762 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c([O-])c1 ZINC000768527907 873361657 /nfs/dbraw/zinc/36/16/57/873361657.db2.gz CKWMNNGDRVWSRP-IBGZPJMESA-N 0 3 383.492 3.967 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c([O-])c1 ZINC000768527907 873361666 /nfs/dbraw/zinc/36/16/66/873361666.db2.gz CKWMNNGDRVWSRP-IBGZPJMESA-N 0 3 383.492 3.967 20 10 GHCDHN C[N@H+](Cc1sc(N2CCOCC2)nc1-c1ccccc1)Cc1ccccc1[O-] ZINC000768872948 873636532 /nfs/dbraw/zinc/63/65/32/873636532.db2.gz MHFAZVRDOCYVGR-UHFFFAOYSA-N 0 3 395.528 3.984 20 10 GHCDHN C[N@@H+](Cc1sc(N2CCOCC2)nc1-c1ccccc1)Cc1ccccc1[O-] ZINC000768872948 873636536 /nfs/dbraw/zinc/63/65/36/873636536.db2.gz MHFAZVRDOCYVGR-UHFFFAOYSA-N 0 3 395.528 3.984 20 10 GHCDHN Fc1cc(CN2CCC(COc3ccccc3)CC2)ccc1N1CCOCC1 ZINC000768938415 873705867 /nfs/dbraw/zinc/70/58/67/873705867.db2.gz JARLGRZFWGLPLE-UHFFFAOYSA-N 0 3 384.495 3.953 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528000979 873869547 /nfs/dbraw/zinc/86/95/47/873869547.db2.gz TZVVCHQICVFFOH-BZNIZROVSA-N 0 3 375.266 3.677 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000769205778 873886822 /nfs/dbraw/zinc/88/68/22/873886822.db2.gz IBLFUQIXBQDGFR-QGZVFWFLSA-N 0 3 383.492 3.743 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000769205778 873886840 /nfs/dbraw/zinc/88/68/40/873886840.db2.gz IBLFUQIXBQDGFR-QGZVFWFLSA-N 0 3 383.492 3.743 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001197778159 874041295 /nfs/dbraw/zinc/04/12/95/874041295.db2.gz SBTYCMGJSGJWGD-WOJBJXKFSA-N 0 3 377.454 3.905 20 10 GHCDHN Cc1cc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)n(-c2ccccc2F)n1 ZINC000775832293 874293412 /nfs/dbraw/zinc/29/34/12/874293412.db2.gz YBPQJTILYMXZNH-MRXNPFEDSA-N 0 3 395.482 3.675 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835604 874324210 /nfs/dbraw/zinc/32/42/10/874324210.db2.gz GQGDVIXOAKKMPL-OLZOCXBDSA-N 0 3 390.871 3.992 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-n4nccc4C)cc3)c2)CC1 ZINC000770143056 874494934 /nfs/dbraw/zinc/49/49/34/874494934.db2.gz JCJREDGJCFXTLG-UHFFFAOYSA-N 0 3 389.503 3.575 20 10 GHCDHN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000776002350 875099862 /nfs/dbraw/zinc/09/98/62/875099862.db2.gz SUWVFDXPYYDIFJ-FXAWDEMLSA-N 0 3 398.503 3.928 20 10 GHCDHN Fc1cc(CN2CCC[C@]3(C2)OCc2ccccc23)ccc1N1CCOCC1 ZINC000776013451 875108730 /nfs/dbraw/zinc/10/87/30/875108730.db2.gz HHCLMAYMYLBZJK-HSZRJFAPSA-N 0 3 382.479 3.684 20 10 GHCDHN CC[C@H](C)Oc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OC ZINC001199732561 875154064 /nfs/dbraw/zinc/15/40/64/875154064.db2.gz NNKHELRZNVGPBS-SFHVURJKSA-N 0 3 384.520 3.999 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1[O-] ZINC000776043515 875263347 /nfs/dbraw/zinc/26/33/47/875263347.db2.gz XEPAGBSGNFAYEN-UHFFFAOYSA-N 0 3 397.700 3.636 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1[O-] ZINC000786827249 876946682 /nfs/dbraw/zinc/94/66/82/876946682.db2.gz LAWWVLYBKRZCOL-UHFFFAOYSA-N 0 3 380.282 3.818 20 10 GHCDHN O=C(c1cccc(CN2CCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109891705 877583379 /nfs/dbraw/zinc/58/33/79/877583379.db2.gz JFHYUWYXBQUAAE-JOCHJYFZSA-N 0 3 394.515 3.809 20 10 GHCDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)nc1 ZINC000093534268 912325452 /nfs/dbraw/zinc/32/54/52/912325452.db2.gz JDUIONJGZFTZEA-GOSISDBHSA-N 0 3 381.480 3.667 20 10 GHCDHN C[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373218 879078313 /nfs/dbraw/zinc/07/83/13/879078313.db2.gz YBHWKWPSPWAGQL-OXQOHEQNSA-N 0 3 399.922 3.633 20 10 GHCDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000180917700 879497358 /nfs/dbraw/zinc/49/73/58/879497358.db2.gz AAXOZIVNUSTYAN-YADHBBJMSA-N 0 3 381.520 3.603 20 10 GHCDHN CN1CCCc2cc(CNC(=O)N[C@@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000746983089 880228207 /nfs/dbraw/zinc/22/82/07/880228207.db2.gz RNPNFXAMJAZXSD-QFIPXVFZSA-N 0 3 392.547 3.705 20 10 GHCDHN COc1ccc(N2CC[C@@H](NC(=O)c3oc4ccccc4c3CN(C)C)C2)cc1 ZINC000855229957 880374748 /nfs/dbraw/zinc/37/47/48/880374748.db2.gz DDAUCOXKVRKXOD-MRXNPFEDSA-N 0 3 393.487 3.512 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1[O-] ZINC000859230048 883681707 /nfs/dbraw/zinc/68/17/07/883681707.db2.gz UEROPPJEBMNQPY-MEDUHNTESA-N 0 3 375.266 3.759 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807141948 885260785 /nfs/dbraw/zinc/26/07/85/885260785.db2.gz XPBCMBXFPYKMQQ-SVMVAKDDSA-N 0 3 380.536 3.776 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC000862484466 886405074 /nfs/dbraw/zinc/40/50/74/886405074.db2.gz PQKIMNWNHZSANC-LSDHHAIUSA-N 0 3 388.430 3.917 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC000862484466 886405080 /nfs/dbraw/zinc/40/50/80/886405080.db2.gz PQKIMNWNHZSANC-LSDHHAIUSA-N 0 3 388.430 3.917 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1[O-] ZINC000762613990 886537745 /nfs/dbraw/zinc/53/77/45/886537745.db2.gz LWMQRWZFDSVZAQ-KYOSRNDESA-N 0 3 390.368 3.633 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1[O-] ZINC000808697666 886716810 /nfs/dbraw/zinc/71/68/10/886716810.db2.gz QPYTZSAUMSYPKF-MDKPJZGXSA-N 0 3 388.939 3.888 20 10 GHCDHN COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809696836 887676602 /nfs/dbraw/zinc/67/66/02/887676602.db2.gz SFBLSEJRLMVAHY-IBGZPJMESA-N 0 3 379.378 3.987 20 10 GHCDHN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809696836 887676618 /nfs/dbraw/zinc/67/66/18/887676618.db2.gz SFBLSEJRLMVAHY-IBGZPJMESA-N 0 3 379.378 3.987 20 10 GHCDHN CCOc1ccc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(O)c1 ZINC000809687352 887704514 /nfs/dbraw/zinc/70/45/14/887704514.db2.gz XRCVKYZVIPDQSR-NRFANRHFSA-N 0 3 396.531 3.894 20 10 GHCDHN COc1cccc(CN2CCCC[C@@H]2COC(=O)NC2CCCCC2)c1O ZINC000809780198 887833088 /nfs/dbraw/zinc/83/30/88/887833088.db2.gz OYZDBHRAHMAPLG-GOSISDBHSA-N 0 3 376.497 3.814 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794801108 888071503 /nfs/dbraw/zinc/07/15/03/888071503.db2.gz HFMUPJUXVUVICW-HXUWFJFHSA-N 0 3 390.549 3.970 20 10 GHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794813056 888182597 /nfs/dbraw/zinc/18/25/97/888182597.db2.gz BCVOOCDFBYSTPM-WOJBJXKFSA-N 0 3 384.476 3.564 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228174 888303025 /nfs/dbraw/zinc/30/30/25/888303025.db2.gz QVUHVMLZOPLHGU-KSZLIROESA-N 0 3 386.458 3.830 20 10 GHCDHN CN(C)c1ccc(CNC/C=C\CNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 ZINC000811497824 889649670 /nfs/dbraw/zinc/64/96/70/889649670.db2.gz FSTLBFGTRDQFKQ-SREVYHEPSA-N 0 3 387.446 3.942 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000122355734 889667261 /nfs/dbraw/zinc/66/72/61/889667261.db2.gz FQBALFUVNFXHRB-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN COc1cc(C)c(CN(C)Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000876547332 893222207 /nfs/dbraw/zinc/22/22/07/893222207.db2.gz OVMAFGQAHXNWPQ-UHFFFAOYSA-N 0 3 384.520 3.605 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CCSCc2ccccc2)N(C)C)cc1 ZINC001134881654 893477977 /nfs/dbraw/zinc/47/79/77/893477977.db2.gz CMUTXABYUKRQND-OAQYLSRUSA-N 0 3 385.577 3.795 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(=O)OC)cc1 ZINC000815562230 894000388 /nfs/dbraw/zinc/00/03/88/894000388.db2.gz ZYBDPYWQVRLCNN-HXUWFJFHSA-N 0 3 386.467 3.690 20 10 GHCDHN C[NH+](C)CCCOc1cnccc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000288656732 913832393 /nfs/dbraw/zinc/83/23/93/913832393.db2.gz VNWUBVVHPWHFKS-UHFFFAOYSA-N 0 3 384.307 3.714 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])[C@H]1n1cccn1 ZINC000815660690 894076194 /nfs/dbraw/zinc/07/61/94/894076194.db2.gz GSGHTYUHJZJGCX-VJUNAUMWSA-N 0 3 394.313 3.729 20 10 GHCDHN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000816575366 894953109 /nfs/dbraw/zinc/95/31/09/894953109.db2.gz KVFIVWYOERKRAY-DEOSSOPVSA-N 0 3 376.500 3.614 20 10 GHCDHN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000816575366 894953125 /nfs/dbraw/zinc/95/31/25/894953125.db2.gz KVFIVWYOERKRAY-DEOSSOPVSA-N 0 3 376.500 3.614 20 10 GHCDHN CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)C[C@H]2C1 ZINC000818332361 896116730 /nfs/dbraw/zinc/11/67/30/896116730.db2.gz MCGIIUCSMPKABK-SBCNTATESA-N 0 3 378.944 3.803 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@H](O)c3cc(F)ccc3F)cc2F)C[C@H](C)O1 ZINC000818966808 896271168 /nfs/dbraw/zinc/27/11/68/896271168.db2.gz OIIVBTLECPKYNY-QTCYRWPVSA-N 0 3 394.437 3.541 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@@H](O)c3cc(F)ccc3F)cc2F)C[C@@H](C)O1 ZINC000818966812 896272288 /nfs/dbraw/zinc/27/22/88/896272288.db2.gz OIIVBTLECPKYNY-ZMOMAAQPSA-N 0 3 394.437 3.541 20 10 GHCDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(C)=O ZINC000155338455 898642189 /nfs/dbraw/zinc/64/21/89/898642189.db2.gz QIUJJLONWUONHV-SJORKVTESA-N 0 3 397.519 3.902 20 10 GHCDHN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCc1ccco1 ZINC000824091100 899390031 /nfs/dbraw/zinc/39/00/31/899390031.db2.gz AVBOPLOAMFSCTP-INIZCTEOSA-N 0 3 383.517 3.772 20 10 GHCDHN COc1cc(Br)cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000824521683 899658515 /nfs/dbraw/zinc/65/85/15/899658515.db2.gz MLDLINZIZAHAEF-UHFFFAOYSA-N 0 3 384.314 3.680 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000824861181 899842266 /nfs/dbraw/zinc/84/22/66/899842266.db2.gz IWBVUOFBHLXMOM-AWEZNQCLSA-N 0 3 391.773 3.776 20 10 GHCDHN Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825326698 900095941 /nfs/dbraw/zinc/09/59/41/900095941.db2.gz PADSEOPRDAGMLF-UGKGYDQZSA-N 0 3 393.487 3.715 20 10 GHCDHN COc1ccc([C@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000215989708 900214622 /nfs/dbraw/zinc/21/46/22/900214622.db2.gz LGQURTZVNKFHHD-HSZRJFAPSA-N 0 3 383.536 3.707 20 10 GHCDHN CCCC[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1[O-] ZINC000844324892 900729695 /nfs/dbraw/zinc/72/96/95/900729695.db2.gz ZHNMNIIVOYBEBZ-UHFFFAOYSA-N 0 3 388.533 3.635 20 10 GHCDHN CCCC[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1[O-] ZINC000844324892 900729704 /nfs/dbraw/zinc/72/97/04/900729704.db2.gz ZHNMNIIVOYBEBZ-UHFFFAOYSA-N 0 3 388.533 3.635 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000178266602 906318383 /nfs/dbraw/zinc/31/83/83/906318383.db2.gz XAIFZNNSNFONGZ-JKSUJKDBSA-N 0 3 386.467 3.845 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1[O-] ZINC000185181009 907727826 /nfs/dbraw/zinc/72/78/26/907727826.db2.gz FVOMNKVRXKOFFJ-XHSDSOJGSA-N 0 3 386.467 3.632 20 10 GHCDHN COc1cc(CN[C@H]2CCN(c3ccccc3F)C2=O)c(O)c(C(C)(C)C)c1 ZINC001177800268 908761834 /nfs/dbraw/zinc/76/18/34/908761834.db2.gz WSYGKIPNCBWCIM-SFHVURJKSA-N 0 3 386.467 3.733 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cn3ccnc3s2)C1 ZINC001177811081 908766224 /nfs/dbraw/zinc/76/62/24/908766224.db2.gz QUYGZQZDGGRLRC-OAHLLOKOSA-N 0 3 376.913 3.509 20 10 GHCDHN CCC[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1[O-] ZINC001180189700 910027333 /nfs/dbraw/zinc/02/73/33/910027333.db2.gz UTIWBRCXYDEGGR-UHFFFAOYSA-N 0 3 384.520 3.515 20 10 GHCDHN CCC[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1[O-] ZINC001180189700 910027342 /nfs/dbraw/zinc/02/73/42/910027342.db2.gz UTIWBRCXYDEGGR-UHFFFAOYSA-N 0 3 384.520 3.515 20 10 GHCDHN CC(C)CNC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775256397 916638014 /nfs/dbraw/zinc/63/80/14/916638014.db2.gz XDPDRCLFODYHDP-IBGZPJMESA-N 0 3 395.547 3.760 20 10 GHCDHN CC[C@H](NCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccccc1O ZINC000775497233 918358484 /nfs/dbraw/zinc/35/84/84/918358484.db2.gz NOERTDIEKBKCGP-INIZCTEOSA-N 0 3 382.551 3.725 20 10 GHCDHN O=C(CCN(Cc1ccco1)Cc1ccccc1O)Nc1ccccc1[N+](=O)[O-] ZINC000800356322 919951569 /nfs/dbraw/zinc/95/15/69/919951569.db2.gz SPIFSONGTTXVJU-UHFFFAOYSA-N 0 3 395.415 3.924 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903346178 922945271 /nfs/dbraw/zinc/94/52/71/922945271.db2.gz DAEXIKKUYBJKQB-NRFANRHFSA-N 0 3 381.516 3.977 20 10 GHCDHN C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000903381887 922978961 /nfs/dbraw/zinc/97/89/61/922978961.db2.gz ZJWLDTPIZFYXEI-GUYCJALGSA-N 0 3 378.314 3.893 20 10 GHCDHN CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)cc1 ZINC000370336564 924043311 /nfs/dbraw/zinc/04/33/11/924043311.db2.gz ZWCXIXJANXDVMH-MRXNPFEDSA-N 0 3 388.533 3.505 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1[O-] ZINC000827320296 925269317 /nfs/dbraw/zinc/26/93/17/925269317.db2.gz JQOBWXPSDHGFCG-WMLDXEAASA-N 0 3 378.314 3.698 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000387928996 926379384 /nfs/dbraw/zinc/37/93/84/926379384.db2.gz LLFAMZBMSDZCMA-HNNXBMFYSA-N 0 3 384.904 3.933 20 10 GHCDHN CN(C)Cc1cccc(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000796638345 926383080 /nfs/dbraw/zinc/38/30/80/926383080.db2.gz FDMFMRWPOUPVKC-UHFFFAOYSA-N 0 3 378.270 3.538 20 10 GHCDHN COc1ccc(N2CCC(NC(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC000726562011 926739358 /nfs/dbraw/zinc/73/93/58/926739358.db2.gz CKVGJWZGBXSEKY-UHFFFAOYSA-N 0 3 393.531 3.690 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000753589126 929432778 /nfs/dbraw/zinc/43/27/78/929432778.db2.gz JAZRBGFNDQYOIC-UXLLHSPISA-N 0 3 376.497 3.526 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000753589126 929432782 /nfs/dbraw/zinc/43/27/82/929432782.db2.gz JAZRBGFNDQYOIC-UXLLHSPISA-N 0 3 376.497 3.526 20 10 GHCDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1Cc1ccccc1 ZINC000757766282 929793524 /nfs/dbraw/zinc/79/35/24/929793524.db2.gz IKSYBBKMIKHWPU-RXVVDRJESA-N 0 3 380.536 3.557 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1[O-] ZINC000780790374 930598936 /nfs/dbraw/zinc/59/89/36/930598936.db2.gz ZRYIMQQPENQTMV-KRWDZBQOSA-N 0 3 386.858 3.856 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(C)(C)O)cc1 ZINC000924758862 931526976 /nfs/dbraw/zinc/52/69/76/931526976.db2.gz CMNLMFFECOIHPZ-INIZCTEOSA-N 0 3 386.511 3.865 20 10 GHCDHN COc1cc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000797418498 932276525 /nfs/dbraw/zinc/27/65/25/932276525.db2.gz SXTDECYXHVWEBB-WCJKSRRJSA-N 0 3 377.525 3.857 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927105664 932414610 /nfs/dbraw/zinc/41/46/10/932414610.db2.gz LXWPFPSXXLCXNI-FYYLOGMGSA-N 0 3 380.532 3.909 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000799338545 932956828 /nfs/dbraw/zinc/95/68/28/932956828.db2.gz RQPMACAZFPLXOT-LLVKDONJSA-N 0 3 390.356 3.789 20 10 GHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799739204 933106693 /nfs/dbraw/zinc/10/66/93/933106693.db2.gz RUEATLXOCHIPQT-MRXNPFEDSA-N 0 3 378.513 3.918 20 10 GHCDHN CCOc1cccc(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799739204 933106698 /nfs/dbraw/zinc/10/66/98/933106698.db2.gz RUEATLXOCHIPQT-MRXNPFEDSA-N 0 3 378.513 3.918 20 10 GHCDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)N1Cc2cccc(O)c2C1 ZINC000930032453 933785092 /nfs/dbraw/zinc/78/50/92/933785092.db2.gz TVZVLUIYYGDFSR-UHFFFAOYSA-N 0 3 383.517 3.531 20 10 GHCDHN CN1CCN(c2ccc(CNC(C)(C)c3ccccc3[N+](=O)[O-])cc2F)CC1 ZINC001117714959 933994557 /nfs/dbraw/zinc/99/45/57/933994557.db2.gz SALFJJCTRRCBAO-UHFFFAOYSA-N 0 3 386.471 3.511 20 10 GHCDHN Cc1cc(C(=O)CN2CCC[C@H]2[C@@H]2CCCOC2)c(C)n1-c1ccc(F)cn1 ZINC000828910547 935739399 /nfs/dbraw/zinc/73/93/99/935739399.db2.gz SDCNOUACCDUDHW-XLIONFOSSA-N 0 3 385.483 3.702 20 10 GHCDHN Cc1cc(CC(=O)NC2CCN(CCOC(C)C)CC2)c(C)n1-c1ccccc1 ZINC000829560633 935827392 /nfs/dbraw/zinc/82/73/92/935827392.db2.gz IEGBPUGHIRBTLK-UHFFFAOYSA-N 0 3 397.563 3.642 20 10 GHCDHN COCCN1CC[C@@]2(CCCN(Cc3cc(C)n(-c4ccccc4)c3C)C2)C1=O ZINC001137856200 935827977 /nfs/dbraw/zinc/82/79/77/935827977.db2.gz UHLRBUBSFHRESH-XMMPIXPASA-N 0 3 395.547 3.555 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276028 1032717501 /nfs/dbraw/zinc/71/75/01/1032717501.db2.gz DWZZWXKGCFCMIE-UHFFFAOYSA-N 0 3 376.497 3.853 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(F)F)nc2)N(C)C)cc1 ZINC000931911748 1018074025 /nfs/dbraw/zinc/07/40/25/1018074025.db2.gz RDMZMFDASLXGRK-QGZVFWFLSA-N 0 3 377.439 3.510 20 10 GHCDHN COc1cc(CN2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)cc(O)c1O ZINC001204341424 1032783009 /nfs/dbraw/zinc/78/30/09/1032783009.db2.gz CDEJCDCQQJVPLY-ICSRJNTNSA-N 0 3 382.504 3.941 20 10 GHCDHN CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)cc1 ZINC000834538813 1021255839 /nfs/dbraw/zinc/25/58/39/1021255839.db2.gz ZKIYSEHAGRPGFR-HXUWFJFHSA-N 0 3 380.488 3.673 20 10 GHCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccc(C(F)(F)F)cc1 ZINC000834650552 1021342807 /nfs/dbraw/zinc/34/28/07/1021342807.db2.gz NPBQEJPJDOKRSI-JKSUJKDBSA-N 0 3 376.378 3.793 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000802653846 1021514916 /nfs/dbraw/zinc/51/49/16/1021514916.db2.gz BXYBEONDVAOTAD-IBGZPJMESA-N 0 3 384.904 3.791 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000802657911 1021515922 /nfs/dbraw/zinc/51/59/22/1021515922.db2.gz DGITZUSGGNLZLM-UHFFFAOYSA-N 0 3 395.253 3.746 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000802657911 1021515926 /nfs/dbraw/zinc/51/59/26/1021515926.db2.gz DGITZUSGGNLZLM-UHFFFAOYSA-N 0 3 395.253 3.746 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c2c1c(F)ccc2[O-] ZINC000834904865 1021656547 /nfs/dbraw/zinc/65/65/47/1021656547.db2.gz SJQJKPDNLPMGQP-IIAWOOMASA-N 0 3 394.487 3.695 20 10 GHCDHN CN(C)c1ccc(/C=C\CNCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000835035988 1021791500 /nfs/dbraw/zinc/79/15/00/1021791500.db2.gz IMKGVTSGSJZAJP-VWTGBZJHSA-N 0 3 379.504 3.673 20 10 GHCDHN CCC[N@@H+](Cc1ccc(O)c(C)c1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140749628 1022427107 /nfs/dbraw/zinc/42/71/07/1022427107.db2.gz HACAZRMUYSSSFW-INIZCTEOSA-N 0 3 378.513 3.875 20 10 GHCDHN CCC[N@H+](Cc1ccc(O)c(C)c1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140749628 1022427110 /nfs/dbraw/zinc/42/71/10/1022427110.db2.gz HACAZRMUYSSSFW-INIZCTEOSA-N 0 3 378.513 3.875 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140850237 1022695322 /nfs/dbraw/zinc/69/53/22/1022695322.db2.gz HMRCQFYZRANRNU-UHFFFAOYSA-N 0 3 389.540 3.824 20 10 GHCDHN CCN(CC)c1ccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c(O)c1 ZINC001140852405 1022701904 /nfs/dbraw/zinc/70/19/04/1022701904.db2.gz MVLMFUSBGMWLOK-GOSISDBHSA-N 0 3 399.583 3.852 20 10 GHCDHN CN(C)c1ccc(CN2CCc3ccc(=O)n(CC4CC4)c3CC2)c(Cl)c1 ZINC001140924265 1022900988 /nfs/dbraw/zinc/90/09/88/1022900988.db2.gz MHPNSCDTXIEXRQ-UHFFFAOYSA-N 0 3 385.939 3.579 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)c2ccccc21 ZINC001140950239 1022972183 /nfs/dbraw/zinc/97/21/83/1022972183.db2.gz WQXTWMRRHQBWSM-IBGZPJMESA-N 0 3 378.516 3.858 20 10 GHCDHN O[C@]1(C(F)(F)F)CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1F ZINC001141074496 1023433447 /nfs/dbraw/zinc/43/34/47/1023433447.db2.gz JYVRCWHSQOQIHY-IEBWSBKVSA-N 0 3 386.433 3.613 20 10 GHCDHN Cc1nccnc1O[C@@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141079191 1023445514 /nfs/dbraw/zinc/44/55/14/1023445514.db2.gz WGIUKUIZUGNLND-OAQYLSRUSA-N 0 3 378.520 3.527 20 10 GHCDHN Cc1cnc(O[C@@H]2CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)nc1 ZINC001141079276 1023445546 /nfs/dbraw/zinc/44/55/46/1023445546.db2.gz ZZCNSLWMCCCTPJ-OAQYLSRUSA-N 0 3 378.520 3.527 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756378872 1023618943 /nfs/dbraw/zinc/61/89/43/1023618943.db2.gz JFJGPLMGXJBIEF-LIRRHRJNSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756476298 1023674399 /nfs/dbraw/zinc/67/43/99/1023674399.db2.gz RXYCBMJOKXDERU-NIKGAXFTSA-N 0 3 388.458 3.882 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2ccc3c(c2)CCO3)cc1 ZINC000756516988 1023693289 /nfs/dbraw/zinc/69/32/89/1023693289.db2.gz VBFDYXXLQZTNBG-UNMCSNQZSA-N 0 3 385.529 3.805 20 10 GHCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3C[C@@H](C)c4c3c([O-])ccc4F)C2)c1 ZINC000756639030 1023748473 /nfs/dbraw/zinc/74/84/73/1023748473.db2.gz UZZFFOZHWOCAIU-TYILLQQXSA-N 0 3 386.467 3.965 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756651655 1023755849 /nfs/dbraw/zinc/75/58/49/1023755849.db2.gz XEQHGSJMAFLZMP-SUMDDJOVSA-N 0 3 382.479 3.903 20 10 GHCDHN COc1cc(C)nc(OC2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC001138222424 1024398648 /nfs/dbraw/zinc/39/86/48/1024398648.db2.gz XHSLSPCYSCCRCQ-UHFFFAOYSA-N 0 3 396.535 3.827 20 10 GHCDHN CN1CCCc2cc(CN3CCC[C@H](c4noc(C(F)(F)F)n4)C3)ccc21 ZINC001138357520 1024721479 /nfs/dbraw/zinc/72/14/79/1024721479.db2.gz HXTXKWQGDCZHTE-HNNXBMFYSA-N 0 3 380.414 3.850 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cccc4c3ccn4C)CC2)cc1 ZINC001164334677 1026489179 /nfs/dbraw/zinc/48/91/79/1026489179.db2.gz WTIUXMMJEQVISL-UHFFFAOYSA-N 0 3 378.520 3.811 20 10 GHCDHN CC(C)(CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])S(C)(=O)=O ZINC000840876025 1027913714 /nfs/dbraw/zinc/91/37/14/1027913714.db2.gz IOWODANCDDOIFG-LJQANCHMSA-N 0 3 375.534 3.869 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000840959863 1027990929 /nfs/dbraw/zinc/99/09/29/1027990929.db2.gz WRXJZSXXCVPUET-GOSISDBHSA-N 0 3 380.282 3.719 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000840959863 1027990932 /nfs/dbraw/zinc/99/09/32/1027990932.db2.gz WRXJZSXXCVPUET-GOSISDBHSA-N 0 3 380.282 3.719 20 10 GHCDHN COC1CCN(c2ccc(CN3CCC(OC)(C(F)(F)F)CC3)cc2)CC1 ZINC000842159537 1029116369 /nfs/dbraw/zinc/11/63/69/1029116369.db2.gz SYNHRGVQVLTTMV-UHFFFAOYSA-N 0 3 386.458 3.845 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC000842742223 1029550866 /nfs/dbraw/zinc/55/08/66/1029550866.db2.gz LPDGYOJMZADGCM-QGZVFWFLSA-N 0 3 385.382 3.903 20 10 GHCDHN CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959172 1030944855 /nfs/dbraw/zinc/94/48/55/1030944855.db2.gz NVTYFGBPFBRFHY-KUHUBIRLSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959172 1030944867 /nfs/dbraw/zinc/94/48/67/1030944867.db2.gz NVTYFGBPFBRFHY-KUHUBIRLSA-N 0 3 395.341 3.686 20 10 GHCDHN CN[C@H](C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C)[C@@H](C)OC(C)(C)C ZINC001157435867 1033587148 /nfs/dbraw/zinc/58/71/48/1033587148.db2.gz XTUMMSOKEGSZEC-LJHODMEESA-N 0 3 376.541 3.540 20 10 GHCDHN N[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001206244889 1033773533 /nfs/dbraw/zinc/77/35/33/1033773533.db2.gz OBPLZZKCIJHAHZ-HNNXBMFYSA-N 0 3 389.215 3.773 20 10 GHCDHN N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001206244889 1033773549 /nfs/dbraw/zinc/77/35/49/1033773549.db2.gz OBPLZZKCIJHAHZ-HNNXBMFYSA-N 0 3 389.215 3.773 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](C(F)F)C2CCCCC2)N(C)C)cc1 ZINC001207756029 1034558890 /nfs/dbraw/zinc/55/88/90/1034558890.db2.gz OAURKCYDOGVUQM-MOPGFXCFSA-N 0 3 396.526 3.869 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001231468433 1034611876 /nfs/dbraw/zinc/61/18/76/1034611876.db2.gz AFMKUXAONXCFSK-NRFANRHFSA-N 0 3 391.471 3.805 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001231468433 1034611890 /nfs/dbraw/zinc/61/18/90/1034611890.db2.gz AFMKUXAONXCFSK-NRFANRHFSA-N 0 3 391.471 3.805 20 10 GHCDHN Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2c([O-])ccc4ccccc42)CC3)cn1 ZINC001231586986 1034740128 /nfs/dbraw/zinc/74/01/28/1034740128.db2.gz OKQBAZKPSDXJSA-GOSISDBHSA-N 0 3 377.488 3.818 20 10 GHCDHN COc1ccc(C(=O)NC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC001231589309 1034744163 /nfs/dbraw/zinc/74/41/63/1034744163.db2.gz BIYNBQLXVGIGCJ-UHFFFAOYSA-N 0 3 390.483 3.948 20 10 GHCDHN COc1ccc(N2CCN(CC3(c4ccccc4)CCOCC3)CC2)c(OC)c1 ZINC001208232286 1034819917 /nfs/dbraw/zinc/81/99/17/1034819917.db2.gz JZBHUKCWDCWQMG-UHFFFAOYSA-N 0 3 396.531 3.574 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c(O)c1 ZINC001231843942 1034937896 /nfs/dbraw/zinc/93/78/96/1034937896.db2.gz DDJKOKUPEDIHLR-XKCSPQBFSA-N 0 3 382.504 3.600 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001231848955 1034940930 /nfs/dbraw/zinc/94/09/30/1034940930.db2.gz LWHKODSOZKKZMG-SJLPKXTDSA-N 0 3 391.556 3.744 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001231853931 1034944752 /nfs/dbraw/zinc/94/47/52/1034944752.db2.gz UWXJDYJPJKWAEU-UHFFFAOYSA-N 0 3 377.529 3.640 20 10 GHCDHN Cc1c(C)c([N+](=O)[O-])cnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160618399 1035017978 /nfs/dbraw/zinc/01/79/78/1035017978.db2.gz GAZHWKDIWSTCLX-WOJBJXKFSA-N 0 3 394.431 3.871 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@@H]3CCC[C@H]32)c1O ZINC001248400916 1035815022 /nfs/dbraw/zinc/81/50/22/1035815022.db2.gz FLFHAXGLABVNBI-SMDDNHRTSA-N 0 3 387.261 3.770 20 10 GHCDHN COc1cc(O)c(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)cc1Cl ZINC001232265291 1037986744 /nfs/dbraw/zinc/98/67/44/1037986744.db2.gz IYGLZBZVHNAGQB-AWEZNQCLSA-N 0 3 392.931 3.668 20 10 GHCDHN COC(=O)c1c(CN2CCC(COc3cccnc3)CC2)c2ccccc2n1C ZINC001232401665 1038185463 /nfs/dbraw/zinc/18/54/63/1038185463.db2.gz AZUDJLHCJKMWMV-UHFFFAOYSA-N 0 3 393.487 3.651 20 10 GHCDHN Oc1cc(CN2CCC[C@@H]2Cc2ccc(Br)cc2)cc(O)c1O ZINC001233017878 1038769918 /nfs/dbraw/zinc/76/99/18/1038769918.db2.gz LDYRDTMFNBPTLW-OAHLLOKOSA-N 0 3 378.266 3.773 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC001233110955 1038901972 /nfs/dbraw/zinc/90/19/72/1038901972.db2.gz WIAPLUBODQQZGA-OAHLLOKOSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC001233110955 1038901975 /nfs/dbraw/zinc/90/19/75/1038901975.db2.gz WIAPLUBODQQZGA-OAHLLOKOSA-N 0 3 395.341 3.688 20 10 GHCDHN CCOC(=O)c1c(CN2CCC[C@@H](c3nc(CC)no3)C2)c2ccccc2n1C ZINC001233273365 1039041892 /nfs/dbraw/zinc/04/18/92/1039041892.db2.gz ZMUBHDLDSUBUEF-OAHLLOKOSA-N 0 3 396.491 3.680 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)c2ccccc2)N(C)C)cc1 ZINC001252800823 1039177346 /nfs/dbraw/zinc/17/73/46/1039177346.db2.gz GWIHIZVDWOPJAC-OAQYLSRUSA-N 0 3 382.552 3.632 20 10 GHCDHN O=C1c2ccccc2CN1[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776085 1039607650 /nfs/dbraw/zinc/60/76/50/1039607650.db2.gz JPGBZJOVEMPTAI-HNNXBMFYSA-N 0 3 392.377 3.521 20 10 GHCDHN CCOCc1ncn2c1C[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)CCC2 ZINC001234535730 1040108469 /nfs/dbraw/zinc/10/84/69/1040108469.db2.gz FPGLZTJWNNCVRB-UHFFFAOYSA-N 0 3 381.476 3.693 20 10 GHCDHN CCOCc1ncn2c1C[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)CCC2 ZINC001234535730 1040108474 /nfs/dbraw/zinc/10/84/74/1040108474.db2.gz FPGLZTJWNNCVRB-UHFFFAOYSA-N 0 3 381.476 3.693 20 10 GHCDHN CCOCc1ncn2c1CN(Cc1c(O)ccc3ccc(OC)cc31)CCC2 ZINC001234535730 1040108480 /nfs/dbraw/zinc/10/84/80/1040108480.db2.gz FPGLZTJWNNCVRB-UHFFFAOYSA-N 0 3 381.476 3.693 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCCN4C(=O)N(C)C)CC3)c2c1 ZINC001234545217 1040117141 /nfs/dbraw/zinc/11/71/41/1040117141.db2.gz PKRFKDMFIJZXCS-UHFFFAOYSA-N 0 3 397.519 3.666 20 10 GHCDHN COC(=O)c1ccc(C2C[NH+](Cc3c([O-])ccc4ccc(OC)cc43)C2)cc1 ZINC001234568849 1040134974 /nfs/dbraw/zinc/13/49/74/1040134974.db2.gz DTZTXCRJQNWBRL-UHFFFAOYSA-N 0 3 377.440 3.940 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(Oc4ncc(F)cn4)CC3)c2c1 ZINC001234569664 1040137068 /nfs/dbraw/zinc/13/70/68/1040137068.db2.gz QCMKWJHYBXHAID-UHFFFAOYSA-N 0 3 383.423 3.527 20 10 GHCDHN COc1cccnc1N1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234997473 1040490030 /nfs/dbraw/zinc/49/00/30/1040490030.db2.gz CWCXDPHXLNLWMA-UHFFFAOYSA-N 0 3 375.472 3.785 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001235681109 1041142653 /nfs/dbraw/zinc/14/26/53/1041142653.db2.gz FHUMCMXVGZKCGG-GHTZIAJQSA-N 0 3 396.506 3.919 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001235681109 1041142657 /nfs/dbraw/zinc/14/26/57/1041142657.db2.gz FHUMCMXVGZKCGG-GHTZIAJQSA-N 0 3 396.506 3.919 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4cscn4)CC[C@@H]3C2)c([O-])c1 ZINC001235685944 1041154475 /nfs/dbraw/zinc/15/44/75/1041154475.db2.gz VTHSACCBOYIUNK-WBVHZDCISA-N 0 3 399.560 3.740 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4cscn4)CC[C@@H]3C2)c([O-])c1 ZINC001235685944 1041154480 /nfs/dbraw/zinc/15/44/80/1041154480.db2.gz VTHSACCBOYIUNK-WBVHZDCISA-N 0 3 399.560 3.740 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235813038 1041325178 /nfs/dbraw/zinc/32/51/78/1041325178.db2.gz UMUDDNWSMAQVLG-INIZCTEOSA-N 0 3 381.701 3.955 20 10 GHCDHN [O-]c1cccc(Br)c1CN(Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001235935069 1041438247 /nfs/dbraw/zinc/43/82/47/1041438247.db2.gz IKOHXXKHDDDTOI-QZTJIDSGSA-N 0 3 393.300 3.857 20 10 GHCDHN Cc1ccc(CN(Cc2cc(Cl)c([O-])cc2O)C2CC[NH2+]CC2)c(F)c1 ZINC001236490690 1041737744 /nfs/dbraw/zinc/73/77/44/1041737744.db2.gz QDQTWWWWWLWQNJ-UHFFFAOYSA-N 0 3 378.875 3.953 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789683 1041895412 /nfs/dbraw/zinc/89/54/12/1041895412.db2.gz QIDWMUOBPQQIJW-DNQXCXABSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789683 1041895417 /nfs/dbraw/zinc/89/54/17/1041895417.db2.gz QIDWMUOBPQQIJW-DNQXCXABSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236810888 1041910544 /nfs/dbraw/zinc/91/05/44/1041910544.db2.gz KQMDMOLBXWZXOA-MRXNPFEDSA-N 0 3 378.513 3.788 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236810888 1041910549 /nfs/dbraw/zinc/91/05/49/1041910549.db2.gz KQMDMOLBXWZXOA-MRXNPFEDSA-N 0 3 378.513 3.788 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001236826029 1041918746 /nfs/dbraw/zinc/91/87/46/1041918746.db2.gz FCUUNGSMBDRLRX-UHFFFAOYSA-N 0 3 376.456 3.592 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001236831715 1041921380 /nfs/dbraw/zinc/92/13/80/1041921380.db2.gz YXIWXIHFSDMDOV-HXUWFJFHSA-N 0 3 375.472 3.874 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001236836403 1041922715 /nfs/dbraw/zinc/92/27/15/1041922715.db2.gz IILFQLKONCICLO-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN CCOC(=O)[C@]1(C)CCCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236924601 1041960781 /nfs/dbraw/zinc/96/07/81/1041960781.db2.gz NBXWMUBHRCQZEA-OAQYLSRUSA-N 0 3 394.943 3.732 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001237039874 1041999796 /nfs/dbraw/zinc/99/97/96/1041999796.db2.gz COGYXCNNQAFOEV-XMMPIXPASA-N 0 3 392.499 3.691 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001237039874 1041999800 /nfs/dbraw/zinc/99/98/00/1041999800.db2.gz COGYXCNNQAFOEV-XMMPIXPASA-N 0 3 392.499 3.691 20 10 GHCDHN COC(=O)c1ccc2c(c1)CCN(Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237052934 1042012000 /nfs/dbraw/zinc/01/20/00/1042012000.db2.gz FOHYYOXVXHWTJJ-UHFFFAOYSA-N 0 3 395.377 3.678 20 10 GHCDHN CCc1nc(C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC2)no1 ZINC001237058842 1042014411 /nfs/dbraw/zinc/01/44/11/1042014411.db2.gz LGCGSGXAXNSYTK-UHFFFAOYSA-N 0 3 385.386 3.658 20 10 GHCDHN Cc1ccccc1[C@@H]1CCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237208670 1042091954 /nfs/dbraw/zinc/09/19/54/1042091954.db2.gz SMHATCFNLCKICV-QFIPXVFZSA-N 0 3 384.545 3.567 20 10 GHCDHN Cc1cccc(O)c1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001237495256 1042235503 /nfs/dbraw/zinc/23/55/03/1042235503.db2.gz NXVUSMQYUWAPJU-LSDHHAIUSA-N 0 3 388.430 3.978 20 10 GHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001237648720 1042303789 /nfs/dbraw/zinc/30/37/89/1042303789.db2.gz FQUGMCWNLSYEIR-UHFFFAOYSA-N 0 3 398.869 3.964 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1[O-] ZINC001237687661 1042327770 /nfs/dbraw/zinc/32/77/70/1042327770.db2.gz QKPUUDXZMPXHEC-UHFFFAOYSA-N 0 3 384.907 3.809 20 10 GHCDHN C[NH+](C)CC1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237780298 1042365336 /nfs/dbraw/zinc/36/53/36/1042365336.db2.gz AXRNAUJYJMEPGO-UHFFFAOYSA-N 0 3 395.263 3.947 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccccc1F ZINC001237940456 1042430127 /nfs/dbraw/zinc/43/01/27/1042430127.db2.gz LJJLVMRREWZGKR-UHFFFAOYSA-N 0 3 380.822 3.718 20 10 GHCDHN CCOC(=O)c1coc(C2CC[NH+](Cc3cc(F)c(Cl)cc3[O-])CC2)n1 ZINC001237940939 1042430912 /nfs/dbraw/zinc/43/09/12/1042430912.db2.gz PSVHRURYKRIOCJ-UHFFFAOYSA-N 0 3 382.819 3.729 20 10 GHCDHN CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001238059311 1042478164 /nfs/dbraw/zinc/47/81/64/1042478164.db2.gz BLYYPSDNUPGLAT-OFNKIYASSA-N 0 3 382.479 3.678 20 10 GHCDHN CCN1CC[C@@]2(C[N@@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001238059311 1042478168 /nfs/dbraw/zinc/47/81/68/1042478168.db2.gz BLYYPSDNUPGLAT-OFNKIYASSA-N 0 3 382.479 3.678 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c1[O-] ZINC001238062787 1042479979 /nfs/dbraw/zinc/47/99/79/1042479979.db2.gz WXDBSIZBKRLRDK-QHCPKHFHSA-N 0 3 382.479 3.986 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c1[O-] ZINC001238062787 1042479981 /nfs/dbraw/zinc/47/99/81/1042479981.db2.gz WXDBSIZBKRLRDK-QHCPKHFHSA-N 0 3 382.479 3.986 20 10 GHCDHN O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684196 1047914042 /nfs/dbraw/zinc/91/40/42/1047914042.db2.gz MEABNQDMXMMBMC-KBPBESRZSA-N 0 3 394.899 3.522 20 10 GHCDHN O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684196 1047914045 /nfs/dbraw/zinc/91/40/45/1047914045.db2.gz MEABNQDMXMMBMC-KBPBESRZSA-N 0 3 394.899 3.522 20 10 GHCDHN CC/C(=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001463282399 1070961458 /nfs/dbraw/zinc/96/14/58/1070961458.db2.gz OCLNGGDTUMKLJS-BZNBOCDVSA-N 0 3 395.547 3.974 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ncsc2-c2ccccc2)N(C)C)cc1 ZINC001463284630 1070962278 /nfs/dbraw/zinc/96/22/78/1070962278.db2.gz RMQIATXKUNXSMN-IBGZPJMESA-N 0 3 394.544 3.909 20 10 GHCDHN CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1[O-] ZINC000727831194 1048240674 /nfs/dbraw/zinc/24/06/74/1048240674.db2.gz NBBHNQWJVVVSJE-UHFFFAOYSA-N 0 3 387.436 3.550 20 10 GHCDHN CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1[O-] ZINC000727831194 1048240682 /nfs/dbraw/zinc/24/06/82/1048240682.db2.gz NBBHNQWJVVVSJE-UHFFFAOYSA-N 0 3 387.436 3.550 20 10 GHCDHN Brc1cc(CNCc2ccc3c(c2)CCCO3)cc2c1OCCO2 ZINC001308248435 1049925729 /nfs/dbraw/zinc/92/57/29/1049925729.db2.gz GFHHBCKWRMEYTN-UHFFFAOYSA-N 0 3 390.277 3.835 20 10 GHCDHN CN(C)c1ccc(/C=C/CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC001308422851 1049972733 /nfs/dbraw/zinc/97/27/33/1049972733.db2.gz SAWBLBCDKMANPT-RTLBZRNLSA-N 0 3 375.310 3.852 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001311446455 1052157104 /nfs/dbraw/zinc/15/71/04/1052157104.db2.gz DZDQOGZMXFWNPL-NZQKXSOJSA-N 0 3 394.563 3.775 20 10 GHCDHN CCCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313417098 1053048354 /nfs/dbraw/zinc/04/83/54/1053048354.db2.gz QWMCCCQPQCCRMK-JOCHJYFZSA-N 0 3 382.552 3.977 20 10 GHCDHN COC(=O)c1ccccc1CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001474722737 1054653200 /nfs/dbraw/zinc/65/32/00/1054653200.db2.gz OAGMKOAWIWRWTM-UHFFFAOYSA-N 0 3 378.266 3.582 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000848528089 1057150822 /nfs/dbraw/zinc/15/08/22/1057150822.db2.gz KFMKIPFPUHMBGQ-HWPZZCPQSA-N 0 3 386.311 3.783 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1[O-] ZINC000848530357 1057152170 /nfs/dbraw/zinc/15/21/70/1057152170.db2.gz ZPHOQSVBAQGXEM-GHMZBOCLSA-N 0 3 396.329 3.795 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000848531609 1057153300 /nfs/dbraw/zinc/15/33/00/1057153300.db2.gz UFOBEDHYMIMFFB-BMIGLBTASA-N 0 3 392.297 3.990 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCc2cccc3c2OCCO3)c1O ZINC000848534816 1057156610 /nfs/dbraw/zinc/15/66/10/1057156610.db2.gz VNRLITMTBSKURF-LLVKDONJSA-N 0 3 394.265 3.785 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000848545132 1057166266 /nfs/dbraw/zinc/16/62/66/1057166266.db2.gz SJUDAJZBIPCJGB-CZUORRHYSA-N 0 3 394.309 3.808 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1[O-] ZINC000848547198 1057167461 /nfs/dbraw/zinc/16/74/61/1057167461.db2.gz LTHLCGRNLQUUGS-WFASDCNBSA-N 0 3 396.329 3.987 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c1[O-] ZINC000848548043 1057169297 /nfs/dbraw/zinc/16/92/97/1057169297.db2.gz UBKBETIQRMSUMC-CZUORRHYSA-N 0 3 394.309 3.726 20 10 GHCDHN COC(=O)c1cccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC001339695533 1059397073 /nfs/dbraw/zinc/39/70/73/1059397073.db2.gz AWOWSDDRWSQOFX-HZPDHXFCSA-N 0 3 386.467 3.516 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3cc(Cl)sc3[nH]2)N(C)C)cc1 ZINC001456930193 1062921959 /nfs/dbraw/zinc/92/19/59/1062921959.db2.gz HIKLIJKCXXYMBU-MRXNPFEDSA-N 0 3 390.940 3.982 20 10 GHCDHN COc1cccc(Cl)c1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001467168592 1067116385 /nfs/dbraw/zinc/11/63/85/1067116385.db2.gz NPAGKWSIZSFJHX-KRWDZBQOSA-N 0 3 390.915 3.839 20 10 GHCDHN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)c1cccc(OC)c1 ZINC001467816501 1067480384 /nfs/dbraw/zinc/48/03/84/1067480384.db2.gz IRCCYFHTTIZHJF-UZLBHIALSA-N 0 3 385.508 3.844 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765257122 1068112122 /nfs/dbraw/zinc/11/21/22/1068112122.db2.gz WILYDTCWSWNCIN-WIYYLYMNSA-N 0 3 396.491 3.537 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1OC ZINC001471141234 1072938666 /nfs/dbraw/zinc/93/86/66/1072938666.db2.gz LEUIBQBCWBCMQS-NHCUHLMSSA-N 0 3 398.551 3.814 20 10 GHCDHN CC(C)[C@@H](Cc1ccccc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471348577 1073033421 /nfs/dbraw/zinc/03/34/21/1073033421.db2.gz QSOYYLWYXMLDQD-DHIUTWEWSA-N 0 3 396.579 3.922 20 10 GHCDHN CSC1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCCC1 ZINC001471364312 1073039677 /nfs/dbraw/zinc/03/96/77/1073039677.db2.gz WNSAINZIQQTEBP-IBGZPJMESA-N 0 3 392.613 3.720 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](C3CCCC3)C2)N(C)C)cc1 ZINC001471546339 1073125950 /nfs/dbraw/zinc/12/59/50/1073125950.db2.gz BDOYJKNSFHBPNF-IFMALSPDSA-N 0 3 386.584 3.967 20 10 GHCDHN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC001473970682 1074222185 /nfs/dbraw/zinc/22/21/85/1074222185.db2.gz XYDUOYCTQOMRGA-LSDHHAIUSA-N 0 3 396.373 3.832 20 10 GHCDHN OC[C@H](NCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1 ZINC001474069229 1074254188 /nfs/dbraw/zinc/25/41/88/1074254188.db2.gz CHCDLGFKMPAIFK-IBGZPJMESA-N 0 3 375.310 3.873 20 10 GHCDHN O=C(Nc1ccccc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000120818321 836586128 /nfs/dbraw/zinc/58/61/28/836586128.db2.gz LZJJIJZJQNSUSN-UHFFFAOYSA-N 0 3 397.494 3.513 20 10 GHCDHN CCOc1c(Cl)cc(CNCc2ccc(OC)c(OC)c2O)cc1OC ZINC000892626258 837263162 /nfs/dbraw/zinc/26/31/62/837263162.db2.gz QRDGUMHICMWHSP-UHFFFAOYSA-N 0 3 381.856 3.760 20 10 GHCDHN C[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000124803808 841017025 /nfs/dbraw/zinc/01/70/25/841017025.db2.gz KHQJAKGZGXVBTI-XOBRGWDASA-N 0 3 378.875 3.700 20 10 GHCDHN COc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000067979068 841069831 /nfs/dbraw/zinc/06/98/31/841069831.db2.gz XHJMLNIWGADLCY-ROUUACIJSA-N 0 3 382.504 3.543 20 10 GHCDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000162536915 841328802 /nfs/dbraw/zinc/32/88/02/841328802.db2.gz NKLQEOQXGRQPDO-OAQYLSRUSA-N 0 3 380.488 3.632 20 10 GHCDHN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000272657193 847136389 /nfs/dbraw/zinc/13/63/89/847136389.db2.gz BJMSJFCQDBLCFH-GOSISDBHSA-N 0 3 396.535 3.708 20 10 GHCDHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846367 861906533 /nfs/dbraw/zinc/90/65/33/861906533.db2.gz WZNACXIUJLYGEF-VQIMIIECSA-N 0 3 387.524 3.541 20 10 GHCDHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846367 861906540 /nfs/dbraw/zinc/90/65/40/861906540.db2.gz WZNACXIUJLYGEF-VQIMIIECSA-N 0 3 387.524 3.541 20 10 GHCDHN CC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccccc1OCC(=O)N(C)C ZINC000171379138 862142214 /nfs/dbraw/zinc/14/22/14/862142214.db2.gz ZAZZNXPCNLVYJL-OAQYLSRUSA-N 0 3 395.547 3.777 20 10 GHCDHN COC(=O)c1c(CN2CCc3ccc(OC)cc3CC2)c2cc(F)ccc2n1C ZINC000911592153 851821886 /nfs/dbraw/zinc/82/18/86/851821886.db2.gz CFHBUAAAOABQMF-UHFFFAOYSA-N 0 3 396.462 3.713 20 10 GHCDHN COc1cc(CN2CCCN(c3nc(C)ns3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164422281 854010554 /nfs/dbraw/zinc/01/05/54/854010554.db2.gz HNMGEUXIZKZTIQ-UHFFFAOYSA-N 0 3 390.553 3.571 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000157063739 854937927 /nfs/dbraw/zinc/93/79/27/854937927.db2.gz VHHFFBKVPLEONH-KRWDZBQOSA-N 0 3 395.503 3.758 20 10 GHCDHN COc1cc(C)cc(CN[C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1O ZINC000895077684 855544824 /nfs/dbraw/zinc/54/48/24/855544824.db2.gz HLFCYBPAWMSLMQ-INIZCTEOSA-N 0 3 385.382 3.821 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OC)cc3F)cc2F)CC1 ZINC000765850849 855659469 /nfs/dbraw/zinc/65/94/69/855659469.db2.gz BWLCJPAVYZAPLN-INIZCTEOSA-N 0 3 389.490 3.966 20 10 GHCDHN CC(=O)Nc1cccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733614040 863064430 /nfs/dbraw/zinc/06/44/30/863064430.db2.gz VMYNYQPHFYCROI-UHFFFAOYSA-N 0 3 381.476 3.734 20 10 GHCDHN CC(=O)Nc1cccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733614040 863064450 /nfs/dbraw/zinc/06/44/50/863064450.db2.gz VMYNYQPHFYCROI-UHFFFAOYSA-N 0 3 381.476 3.734 20 10 GHCDHN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c1 ZINC000733614040 863064471 /nfs/dbraw/zinc/06/44/71/863064471.db2.gz VMYNYQPHFYCROI-UHFFFAOYSA-N 0 3 381.476 3.734 20 10 GHCDHN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760597534 859499324 /nfs/dbraw/zinc/49/93/24/859499324.db2.gz LPVCIODGIZBYFM-QFIPXVFZSA-N 0 3 380.536 3.559 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837412 859999125 /nfs/dbraw/zinc/99/91/25/859999125.db2.gz UXHVPEIHSVFFNO-IBGZPJMESA-N 0 3 381.394 3.718 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837412 859999131 /nfs/dbraw/zinc/99/91/31/859999131.db2.gz UXHVPEIHSVFFNO-IBGZPJMESA-N 0 3 381.394 3.718 20 10 GHCDHN OC[C@]1(C(F)(F)F)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895837412 859999138 /nfs/dbraw/zinc/99/91/38/859999138.db2.gz UXHVPEIHSVFFNO-IBGZPJMESA-N 0 3 381.394 3.718 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c([O-])c1 ZINC000733800537 863192051 /nfs/dbraw/zinc/19/20/51/863192051.db2.gz YLJWLLVTPIJPIZ-QGZVFWFLSA-N 0 3 394.393 3.705 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000734271515 864109437 /nfs/dbraw/zinc/10/94/37/864109437.db2.gz AUZQDKADITYOKG-OAQYLSRUSA-N 0 3 398.526 3.918 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1OCC(=O)N1CCCC1 ZINC000475198552 864557592 /nfs/dbraw/zinc/55/75/92/864557592.db2.gz QUZAUOVGZDSROZ-UHFFFAOYSA-N 0 3 391.515 3.778 20 10 GHCDHN Cc1cc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000735220305 864691685 /nfs/dbraw/zinc/69/16/85/864691685.db2.gz LKNOGXMAJJNINZ-FQEVSTJZSA-N 0 3 375.472 3.920 20 10 GHCDHN CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792960809 881849727 /nfs/dbraw/zinc/84/97/27/881849727.db2.gz QJRAFKYDXRKEGX-LJQANCHMSA-N 0 3 393.453 3.561 20 10 GHCDHN CCOCc1cc(CNC2(C(=O)N(CC)CC)CCCCC2)ccc1OC ZINC000736639367 865255047 /nfs/dbraw/zinc/25/50/47/865255047.db2.gz UFNWZLMLFKPBEW-UHFFFAOYSA-N 0 3 376.541 3.893 20 10 GHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185360551 866015920 /nfs/dbraw/zinc/01/59/20/866015920.db2.gz HKUREXHISGACRQ-CABCVRRESA-N 0 3 375.463 3.834 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743558422 868263520 /nfs/dbraw/zinc/26/35/20/868263520.db2.gz YLJJPLORCMBTTN-PXNSSMCTSA-N 0 3 393.531 3.906 20 10 GHCDHN C[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000766399560 870700074 /nfs/dbraw/zinc/70/00/74/870700074.db2.gz YSJGUGPYQDYYPA-IBGZPJMESA-N 0 3 379.548 3.885 20 10 GHCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1C(F)(F)F ZINC000767193269 872318172 /nfs/dbraw/zinc/31/81/72/872318172.db2.gz VRWRAHUMZICVLW-KRWDZBQOSA-N 0 3 390.405 3.531 20 10 GHCDHN COc1cc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)ccc1OC(F)F ZINC000768205372 873141123 /nfs/dbraw/zinc/14/11/23/873141123.db2.gz BGHFDVMRKVQMKW-UHFFFAOYSA-N 0 3 393.386 3.896 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)CCOc2ccccc2F)c1[O-] ZINC000768212517 873168197 /nfs/dbraw/zinc/16/81/97/873168197.db2.gz KVSSXIVAIGNQCS-UHFFFAOYSA-N 0 3 384.245 3.813 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)CCOc2ccccc2F)c1[O-] ZINC000768212517 873168210 /nfs/dbraw/zinc/16/82/10/873168210.db2.gz KVSSXIVAIGNQCS-UHFFFAOYSA-N 0 3 384.245 3.813 20 10 GHCDHN Cc1ccc(O[C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)nc1 ZINC000858013616 882721310 /nfs/dbraw/zinc/72/13/10/882721310.db2.gz UTNHQDNPOZHYDH-INIZCTEOSA-N 0 3 377.282 3.820 20 10 GHCDHN CN(C)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000527813314 873599614 /nfs/dbraw/zinc/59/96/14/873599614.db2.gz ZOXSPFPCHGPEJU-OAHLLOKOSA-N 0 3 383.275 3.820 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)CC1 ZINC000775800831 874122971 /nfs/dbraw/zinc/12/29/71/874122971.db2.gz UXMODQHXZWUQIB-GOSISDBHSA-N 0 3 395.551 3.777 20 10 GHCDHN CC(C)Oc1ccc(CCNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832297 874293684 /nfs/dbraw/zinc/29/36/84/874293684.db2.gz YFROKGQYYPOTQT-SFHVURJKSA-N 0 3 383.536 3.549 20 10 GHCDHN C[C@@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835590 874324448 /nfs/dbraw/zinc/32/44/48/874324448.db2.gz VHMMQEKGVVKBJB-CQSZACIVSA-N 0 3 377.891 3.854 20 10 GHCDHN COc1cc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1 ZINC001199412978 874976670 /nfs/dbraw/zinc/97/66/70/874976670.db2.gz KMAMYYUWSXPIPA-IYBDPMFKSA-N 0 3 387.499 3.750 20 10 GHCDHN O=C(c1cccc(O)c1O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000776349124 876318077 /nfs/dbraw/zinc/31/80/77/876318077.db2.gz VAXRWLWUKISZON-UHFFFAOYSA-N 0 3 380.488 3.759 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396275 876877521 /nfs/dbraw/zinc/87/75/21/876877521.db2.gz SJGKHSDNJZFDIK-DHIUTWEWSA-N 0 3 378.516 3.792 20 10 GHCDHN Cc1ccc(OC(F)F)c(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405955 876886666 /nfs/dbraw/zinc/88/66/66/876886666.db2.gz LRONRGAIDDOJAR-UHFFFAOYSA-N 0 3 376.447 3.847 20 10 GHCDHN COCCN(CCN(C)C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000772687995 876891932 /nfs/dbraw/zinc/89/19/32/876891932.db2.gz KSSIGSAJBYBTHK-UHFFFAOYSA-N 0 3 397.523 3.818 20 10 GHCDHN CCOc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000850568183 877036412 /nfs/dbraw/zinc/03/64/12/877036412.db2.gz RCLCXWYLZFBLKS-INIZCTEOSA-N 0 3 399.491 3.805 20 10 GHCDHN O=[N+]([O-])c1cc(CNC[C@@H]2COC3(CCCCC3)O2)ccc1N1CCCCC1 ZINC000776495843 877251283 /nfs/dbraw/zinc/25/12/83/877251283.db2.gz BJODKLMXTAETNI-GOSISDBHSA-N 0 3 389.496 3.751 20 10 GHCDHN COC1CCN(c2ccc(CN[C@H](c3cccnc3)C(C)(C)CO)cc2)CC1 ZINC000852092609 878072703 /nfs/dbraw/zinc/07/27/03/878072703.db2.gz SESYUNCLBHZFRN-JOCHJYFZSA-N 0 3 383.536 3.546 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H]3CCCc4c(O)cccc43)cc2F)CC1 ZINC000788594961 878192653 /nfs/dbraw/zinc/19/26/53/878192653.db2.gz POGAKHASOMXQEC-OAQYLSRUSA-N 0 3 383.511 3.840 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1C)C(C)(C)C)cc2=O ZINC000180087513 878505777 /nfs/dbraw/zinc/50/57/77/878505777.db2.gz VXSQLCPJKVXQPD-IBGZPJMESA-N 0 3 396.491 3.797 20 10 GHCDHN CN(C)c1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1F ZINC000789888849 879315718 /nfs/dbraw/zinc/31/57/18/879315718.db2.gz CMXKAMBUYMZENL-FQEVSTJZSA-N 0 3 398.526 3.670 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000152956973 880004206 /nfs/dbraw/zinc/00/42/06/880004206.db2.gz KXGDEAQWVNUAIP-FQEVSTJZSA-N 0 3 396.560 3.761 20 10 GHCDHN CCN(C)c1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 ZINC000790948592 880094706 /nfs/dbraw/zinc/09/47/06/880094706.db2.gz LCKXWQBETDZSEJ-IAGOWNOFSA-N 0 3 386.515 3.580 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000858531965 883178353 /nfs/dbraw/zinc/17/83/53/883178353.db2.gz GAJCZSGYHJMRJK-HIFRSBDPSA-N 0 3 382.476 3.601 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c1[O-] ZINC000858533067 883179399 /nfs/dbraw/zinc/17/93/99/883179399.db2.gz QGVCTANLYCWRMU-WFASDCNBSA-N 0 3 383.330 3.831 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1[O-] ZINC000186988673 883740881 /nfs/dbraw/zinc/74/08/81/883740881.db2.gz JLOVKCWKMRKBHH-CYBMUJFWSA-N 0 3 387.281 3.895 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1[O-] ZINC001183874598 912867783 /nfs/dbraw/zinc/86/77/83/912867783.db2.gz BALQORDLXFKTPR-RASHJEQFSA-N 0 3 384.314 3.525 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1[O-] ZINC000808697608 886716864 /nfs/dbraw/zinc/71/68/64/886716864.db2.gz OSALSOIHUTUBCC-YRISNDGFSA-N 0 3 388.939 3.888 20 10 GHCDHN CCC1(N2CCOCC2)CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000863327466 887033433 /nfs/dbraw/zinc/03/34/33/887033433.db2.gz KHJZNCTUHBNKGP-UHFFFAOYSA-N 0 3 384.520 3.631 20 10 GHCDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(O)c1 ZINC000809687353 887704761 /nfs/dbraw/zinc/70/47/61/887704761.db2.gz XRCVKYZVIPDQSR-OAQYLSRUSA-N 0 3 396.531 3.894 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000794793416 888075160 /nfs/dbraw/zinc/07/51/60/888075160.db2.gz BEUNGOYGWZEBMS-KRWDZBQOSA-N 0 3 389.565 3.648 20 10 GHCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000794804769 888095634 /nfs/dbraw/zinc/09/56/34/888095634.db2.gz WBELSGBVLUEPNX-TZIWHRDSSA-N 0 3 382.504 3.850 20 10 GHCDHN CC[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C)cc1[O-] ZINC000794814106 888184347 /nfs/dbraw/zinc/18/43/47/888184347.db2.gz GZHCQEOMRKAVNV-YOEHRIQHSA-N 0 3 394.309 3.944 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cscc3C(F)(F)F)cc2)C1 ZINC000810134164 888202900 /nfs/dbraw/zinc/20/29/00/888202900.db2.gz XGNFHCSDOIESCR-AWEZNQCLSA-N 0 3 397.466 3.758 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C[C@H]1C(F)(F)F ZINC001168515516 889608680 /nfs/dbraw/zinc/60/86/80/889608680.db2.gz SMWRCQCWKMQVRZ-DOMZBBRYSA-N 0 3 390.402 3.518 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000811517616 889672489 /nfs/dbraw/zinc/67/24/89/889672489.db2.gz XTRWPQAHJFYMLJ-KRWDZBQOSA-N 0 3 390.524 3.870 20 10 GHCDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000122453778 889805051 /nfs/dbraw/zinc/80/50/51/889805051.db2.gz MBSWJVPIMJLEIJ-CQSZACIVSA-N 0 3 379.501 3.504 20 10 GHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122480939 889846459 /nfs/dbraw/zinc/84/64/59/889846459.db2.gz RXBBFGIAWQBRQQ-HNNXBMFYSA-N 0 3 375.463 3.718 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC000122484220 889849255 /nfs/dbraw/zinc/84/92/55/889849255.db2.gz DFFCJQADFVYFCZ-UHFFFAOYSA-N 0 3 386.427 3.517 20 10 GHCDHN COCCCN(C(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C1CCN(C)CC1 ZINC000811946180 890142264 /nfs/dbraw/zinc/14/22/64/890142264.db2.gz SLOGIDBRRJFKRB-UHFFFAOYSA-N 0 3 397.563 3.975 20 10 GHCDHN Cn1ncc2ccc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc21 ZINC000812769872 890946659 /nfs/dbraw/zinc/94/66/59/890946659.db2.gz BODADDNZYXCOMO-UHFFFAOYSA-N 0 3 379.464 3.762 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000814176748 892333187 /nfs/dbraw/zinc/33/31/87/892333187.db2.gz UMECANQNDOXGEA-BBRMVZONSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176748 892333202 /nfs/dbraw/zinc/33/32/02/892333202.db2.gz UMECANQNDOXGEA-BBRMVZONSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176748 892333217 /nfs/dbraw/zinc/33/32/17/892333217.db2.gz UMECANQNDOXGEA-BBRMVZONSA-N 0 3 396.915 3.886 20 10 GHCDHN Cc1ccc2c(CC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)coc2c1 ZINC001134681818 893217198 /nfs/dbraw/zinc/21/71/98/893217198.db2.gz JKFCQICVVRALKR-NRFANRHFSA-N 0 3 379.504 3.769 20 10 GHCDHN Cc1ccc2c(CC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)coc2c1 ZINC001134681819 893217602 /nfs/dbraw/zinc/21/76/02/893217602.db2.gz JKFCQICVVRALKR-OAQYLSRUSA-N 0 3 379.504 3.769 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2nc3ccccc3s2)N(C)C)cc1 ZINC001134682006 893218806 /nfs/dbraw/zinc/21/88/06/893218806.db2.gz PYHATPZSJUFOSE-KQDNUWKFSA-N 0 3 394.544 3.795 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000918185300 893323895 /nfs/dbraw/zinc/32/38/95/893323895.db2.gz BMIMBYNSIWMVIW-NRFANRHFSA-N 0 3 380.536 3.607 20 10 GHCDHN C[C@H]1CCc2c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)csc2C1 ZINC001134882378 893504774 /nfs/dbraw/zinc/50/47/74/893504774.db2.gz OEAIYNTWONUBNQ-MGPUTAFESA-N 0 3 385.577 3.972 20 10 GHCDHN COc1ccc(/C=C(\C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1F ZINC001134882591 893505342 /nfs/dbraw/zinc/50/53/42/893505342.db2.gz RLGQAIJXPKHVRJ-WMJZSHNHSA-N 0 3 399.510 3.723 20 10 GHCDHN COc1ccccc1O[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877519633 893662491 /nfs/dbraw/zinc/66/24/91/893662491.db2.gz SZRBXEZFBCVJNH-QFIPXVFZSA-N 0 3 396.531 3.700 20 10 GHCDHN COc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1Cn1cccn1 ZINC000877577601 893700021 /nfs/dbraw/zinc/70/00/21/893700021.db2.gz ZBWBMERKWQYDCU-NRFANRHFSA-N 0 3 397.544 3.995 20 10 GHCDHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648447 895200783 /nfs/dbraw/zinc/20/07/83/895200783.db2.gz PQOUWISCUINLEH-OAHLLOKOSA-N 0 3 378.476 3.792 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1ccccc1[O-] ZINC000879648483 895201451 /nfs/dbraw/zinc/20/14/51/895201451.db2.gz QZAPUBYYAJBGCZ-LLVKDONJSA-N 0 3 383.311 3.525 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941059 895970124 /nfs/dbraw/zinc/97/01/24/895970124.db2.gz IKVKNVORLZIUGO-PXAZEXFGSA-N 0 3 378.314 3.571 20 10 GHCDHN C[C@H]([NH2+]CCCNC1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000817983594 895991362 /nfs/dbraw/zinc/99/13/62/895991362.db2.gz GXVCTVLWCCTREO-VIFPVBQESA-N 0 3 392.135 3.710 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(Br)cs1 ZINC000883290680 897455721 /nfs/dbraw/zinc/45/57/21/897455721.db2.gz CDDNQEMGUVNMRR-ZDUSSCGKSA-N 0 3 395.370 3.508 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000822502987 898437949 /nfs/dbraw/zinc/43/79/49/898437949.db2.gz BXDAKTKPQPJGHX-DLBZAZTESA-N 0 3 390.277 3.543 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000822502987 898437956 /nfs/dbraw/zinc/43/79/56/898437956.db2.gz BXDAKTKPQPJGHX-DLBZAZTESA-N 0 3 390.277 3.543 20 10 GHCDHN Cc1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c(CN(C)C)c1 ZINC000113912181 899042599 /nfs/dbraw/zinc/04/25/99/899042599.db2.gz AUWNJQOTPUJQIA-YRNVUSSQSA-N 0 3 379.504 3.545 20 10 GHCDHN Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825046602 899950899 /nfs/dbraw/zinc/95/08/99/899950899.db2.gz VVIMBRLHHGOCOW-AUSIDOKSSA-N 0 3 393.487 3.715 20 10 GHCDHN COCCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000844355507 900760298 /nfs/dbraw/zinc/76/02/98/900760298.db2.gz OLDLQSUERWFRFZ-UHFFFAOYSA-N 0 3 391.556 3.601 20 10 GHCDHN CN(C)Cc1cnc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000796317149 914510777 /nfs/dbraw/zinc/51/07/77/914510777.db2.gz XQBMQDYFGCJTBA-CQSZACIVSA-N 0 3 396.507 3.565 20 10 GHCDHN COc1ccc(N(C)CCN(C)C(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000844854085 901454621 /nfs/dbraw/zinc/45/46/21/901454621.db2.gz NLPAEYCABIVTEL-UHFFFAOYSA-N 0 3 395.503 3.711 20 10 GHCDHN C[NH+]1CCC(C2CCN(Cc3cc(Br)c(F)cc3[O-])CC2)CC1 ZINC001144300246 901633326 /nfs/dbraw/zinc/63/33/26/901633326.db2.gz YYDNJGAARVMPGG-UHFFFAOYSA-N 0 3 385.321 3.848 20 10 GHCDHN COc1cccc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2F)c1O ZINC000846060927 902621444 /nfs/dbraw/zinc/62/14/44/902621444.db2.gz CLKVCWXDUKZWGR-UHFFFAOYSA-N 0 3 390.455 3.854 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000779003322 902710509 /nfs/dbraw/zinc/71/05/09/902710509.db2.gz MPGZOVITSRCLLT-NHYWBVRUSA-N 0 3 376.298 3.770 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1[O-] ZINC000779004570 902730852 /nfs/dbraw/zinc/73/08/52/902730852.db2.gz RCNPRFZGRJBTBD-LLVKDONJSA-N 0 3 383.252 3.998 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1[O-] ZINC000779026306 903154472 /nfs/dbraw/zinc/15/44/72/903154472.db2.gz AXXIGZVXJRTFKG-CYBMUJFWSA-N 0 3 383.330 3.905 20 10 GHCDHN C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773100964 904436144 /nfs/dbraw/zinc/43/61/44/904436144.db2.gz HHXNUARCVUIHPD-IAGOWNOFSA-N 0 3 386.927 3.501 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773231520 904596478 /nfs/dbraw/zinc/59/64/78/904596478.db2.gz WLOALPSETBHMGJ-WAOWUJCRSA-N 0 3 380.536 3.948 20 10 GHCDHN CCCCN(CC(=O)Nc1cc(C(=O)OC)ccc1C)Cc1ccccc1O ZINC000801597157 921176009 /nfs/dbraw/zinc/17/60/09/921176009.db2.gz COVHDGWHHCTYDO-UHFFFAOYSA-N 0 3 384.476 3.728 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000283187683 911404272 /nfs/dbraw/zinc/40/42/72/911404272.db2.gz QKMPJDZIODQKQZ-UGKGYDQZSA-N 0 3 394.515 3.536 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000283187683 911404279 /nfs/dbraw/zinc/40/42/79/911404279.db2.gz QKMPJDZIODQKQZ-UGKGYDQZSA-N 0 3 394.515 3.536 20 10 GHCDHN COC(=O)c1coc([C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000774170167 911466987 /nfs/dbraw/zinc/46/69/87/911466987.db2.gz VXEBSJDWOLIERY-CYBMUJFWSA-N 0 3 394.418 3.987 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000774482103 911787551 /nfs/dbraw/zinc/78/75/51/911787551.db2.gz GBWQPYQZOQQRNR-DLBZAZTESA-N 0 3 378.520 3.632 20 10 GHCDHN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCCN3CC3CC3)cc2)cc1 ZINC001182557167 911848619 /nfs/dbraw/zinc/84/86/19/911848619.db2.gz CWGNTQYNJUSAQL-FQEVSTJZSA-N 0 3 393.491 3.726 20 10 GHCDHN COc1ncc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl ZINC000284428988 911862903 /nfs/dbraw/zinc/86/29/03/911862903.db2.gz RFFZNYFRARNHCZ-OAHLLOKOSA-N 0 3 389.927 3.803 20 10 GHCDHN CN(C)C(=O)COc1ccccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000093319292 912192960 /nfs/dbraw/zinc/19/29/60/912192960.db2.gz OFZAFHKVTMMRNA-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN CN(C)C(=O)COc1ccccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000093319292 912192968 /nfs/dbraw/zinc/19/29/68/912192968.db2.gz OFZAFHKVTMMRNA-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1)C1CCC1 ZINC000360344701 916072084 /nfs/dbraw/zinc/07/20/84/916072084.db2.gz OLMGBHBBSHANGZ-UHFFFAOYSA-N 0 3 394.515 3.852 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCc1cccc2c1OC(F)(F)O2)C[C@H]1CCCO1 ZINC001192014170 918358700 /nfs/dbraw/zinc/35/87/00/918358700.db2.gz QJQLWYLZASDRDL-QGZVFWFLSA-N 0 3 391.414 3.937 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCc1cccc2c1OC(F)(F)O2)C[C@H]1CCCO1 ZINC001192014170 918358712 /nfs/dbraw/zinc/35/87/12/918358712.db2.gz QJQLWYLZASDRDL-QGZVFWFLSA-N 0 3 391.414 3.937 20 10 GHCDHN CC[C@@H]([NH2+]C[C@]1(COC)CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380651498 919306463 /nfs/dbraw/zinc/30/64/63/919306463.db2.gz ZRHDGUZTIWAQEW-UTKZUKDTSA-N 0 3 378.513 3.849 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598417 919457264 /nfs/dbraw/zinc/45/72/64/919457264.db2.gz HEQXJXNZVAHYOM-HTAPYJJXSA-N 0 3 397.494 3.509 20 10 GHCDHN CCOc1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cc(Cl)c1[O-] ZINC000826846290 924239794 /nfs/dbraw/zinc/23/97/94/924239794.db2.gz SEPDRDOYMZQETL-HNNXBMFYSA-N 0 3 376.884 3.821 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(C(=O)OCC(C)C)CC3)c2c1 ZINC000725776031 926433945 /nfs/dbraw/zinc/43/39/45/926433945.db2.gz VEJOZLZMVXBJAH-UHFFFAOYSA-N 0 3 386.492 3.854 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(C(=O)OCC(C)C)CC3)c2c1 ZINC000725776031 926433948 /nfs/dbraw/zinc/43/39/48/926433948.db2.gz VEJOZLZMVXBJAH-UHFFFAOYSA-N 0 3 386.492 3.854 20 10 GHCDHN COc1cc(Br)cc(CNCC(=O)Nc2ccc(Cl)cc2)c1O ZINC000725849761 926467517 /nfs/dbraw/zinc/46/75/17/926467517.db2.gz RJGGBXWINCCCED-UHFFFAOYSA-N 0 3 399.672 3.545 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)c2c1 ZINC000749971982 927377203 /nfs/dbraw/zinc/37/72/03/927377203.db2.gz JYQOXXODXNYGNF-MRXNPFEDSA-N 0 3 386.492 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)c2c1 ZINC000749971982 927377215 /nfs/dbraw/zinc/37/72/15/927377215.db2.gz JYQOXXODXNYGNF-MRXNPFEDSA-N 0 3 386.492 3.995 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000374804030 927540650 /nfs/dbraw/zinc/54/06/50/927540650.db2.gz AMAUOOVLPVHWIJ-MRXNPFEDSA-N 0 3 394.450 3.886 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000374804030 927540653 /nfs/dbraw/zinc/54/06/53/927540653.db2.gz AMAUOOVLPVHWIJ-MRXNPFEDSA-N 0 3 394.450 3.886 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000753544192 929401192 /nfs/dbraw/zinc/40/11/92/929401192.db2.gz UZVGIYYAUCXHBG-IEBWSBKVSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000753544192 929401199 /nfs/dbraw/zinc/40/11/99/929401199.db2.gz UZVGIYYAUCXHBG-IEBWSBKVSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000753544192 929401209 /nfs/dbraw/zinc/40/12/09/929401209.db2.gz UZVGIYYAUCXHBG-IEBWSBKVSA-N 0 3 381.394 3.859 20 10 GHCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000757628424 929750395 /nfs/dbraw/zinc/75/03/95/929750395.db2.gz WBIOMNJQFZNGCO-SIKLNZKXSA-N 0 3 392.547 3.749 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000757634145 929752031 /nfs/dbraw/zinc/75/20/31/929752031.db2.gz ZAVRSAXRHLWMOI-UWVAXJGDSA-N 0 3 382.504 3.740 20 10 GHCDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCCCSc1nccs1 ZINC000759590684 930416285 /nfs/dbraw/zinc/41/62/85/930416285.db2.gz QBCABRCDSIBAQA-UHFFFAOYSA-N 0 3 396.557 3.538 20 10 GHCDHN C[C@@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000780517430 930537738 /nfs/dbraw/zinc/53/77/38/930537738.db2.gz GLYURAAMLQFJGQ-GOSISDBHSA-N 0 3 394.494 3.758 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000782290982 931159296 /nfs/dbraw/zinc/15/92/96/931159296.db2.gz RTPJZQMMDKSACP-KRWDZBQOSA-N 0 3 376.456 3.792 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000782290982 931159304 /nfs/dbraw/zinc/15/93/04/931159304.db2.gz RTPJZQMMDKSACP-KRWDZBQOSA-N 0 3 376.456 3.792 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1coc2ccccc21 ZINC000924725452 931516361 /nfs/dbraw/zinc/51/63/61/931516361.db2.gz GMTYUAXCTZDREG-FUHWJXTLSA-N 0 3 377.488 3.985 20 10 GHCDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1(C)C ZINC000783724466 931631325 /nfs/dbraw/zinc/63/13/25/931631325.db2.gz XFPHOKAGZMALFU-JTHBVZDNSA-N 0 3 385.504 3.627 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3ccc(C(C)(C)O)cc3)cc2F)C[C@@H](C)O1 ZINC000830173248 935909428 /nfs/dbraw/zinc/90/94/28/935909428.db2.gz WYIHLDBNRRHUKG-IAGOWNOFSA-N 0 3 386.511 3.957 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001220676800 1032057955 /nfs/dbraw/zinc/05/79/55/1032057955.db2.gz FBEXOFCQALEDKX-XMSQKQJNSA-N 0 3 382.552 3.594 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(C(F)(F)F)ccc3N)c2)CC1 ZINC001154872603 1032321028 /nfs/dbraw/zinc/32/10/28/1032321028.db2.gz XSAJJUBKSWHPCI-UHFFFAOYSA-N 0 3 392.425 3.682 20 10 GHCDHN O=C(CC1CCC2(CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2)N1CC=CC1 ZINC001204273385 1032716029 /nfs/dbraw/zinc/71/60/29/1032716029.db2.gz OOLAGIAOMOIVCY-UHFFFAOYSA-N 0 3 384.520 3.659 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276574 1032716891 /nfs/dbraw/zinc/71/68/91/1032716891.db2.gz NKNZLSHZRWWJPE-IRXDYDNUSA-N 0 3 390.524 3.957 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276574 1032716906 /nfs/dbraw/zinc/71/69/06/1032716906.db2.gz NKNZLSHZRWWJPE-IRXDYDNUSA-N 0 3 390.524 3.957 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(O)cc2[O-])C2CC2)C1 ZINC001204278193 1032718492 /nfs/dbraw/zinc/71/84/92/1032718492.db2.gz XFKFWXQNOYDODF-OAHLLOKOSA-N 0 3 376.497 3.709 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(O)cc2[O-])C2CC2)C1 ZINC001204278193 1032718508 /nfs/dbraw/zinc/71/85/08/1032718508.db2.gz XFKFWXQNOYDODF-OAHLLOKOSA-N 0 3 376.497 3.709 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1[O-] ZINC000779009973 1020191279 /nfs/dbraw/zinc/19/12/79/1020191279.db2.gz AAXSBRWJIQVXKK-IUODEOHRSA-N 0 3 398.272 3.693 20 10 GHCDHN COc1cccc2c1CCC[C@H]2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000194862991 1020967531 /nfs/dbraw/zinc/96/75/31/1020967531.db2.gz OZQBKLZPYHCZBB-OAQYLSRUSA-N 0 3 384.495 3.963 20 10 GHCDHN CCN1CCN(c2ccc(CN3Cc4ccc(Cl)cc4C(=O)C3)cc2)CC1 ZINC001140309486 1021369863 /nfs/dbraw/zinc/36/98/63/1021369863.db2.gz ILNASCQOKZNVCL-UHFFFAOYSA-N 0 3 383.923 3.680 20 10 GHCDHN CCN1CCN(c2ccc(CN3C[C@H](C)OC[C@@H]3c3ccccc3)cc2)CC1 ZINC001140309673 1021371088 /nfs/dbraw/zinc/37/10/88/1021371088.db2.gz PXCCQTNFKAFRIS-GBXCKJPGSA-N 0 3 379.548 3.791 20 10 GHCDHN COCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000834794429 1021485008 /nfs/dbraw/zinc/48/50/08/1021485008.db2.gz XNUFXVGBOQXPNE-QGZVFWFLSA-N 0 3 390.524 3.633 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1[O-] ZINC000834902751 1021650531 /nfs/dbraw/zinc/65/05/31/1021650531.db2.gz IHTSUYBCLFCZPB-OCCSQVGLSA-N 0 3 382.273 3.796 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1[O-] ZINC000834902748 1021650700 /nfs/dbraw/zinc/65/07/00/1021650700.db2.gz IHTSUYBCLFCZPB-JSGCOSHPSA-N 0 3 382.273 3.796 20 10 GHCDHN Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000834904561 1021654868 /nfs/dbraw/zinc/65/48/68/1021654868.db2.gz OOPPYXRFQWAQJI-CABCVRRESA-N 0 3 378.310 3.965 20 10 GHCDHN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000835037937 1021794245 /nfs/dbraw/zinc/79/42/45/1021794245.db2.gz ZZAVOFQGIKICCU-DYYZXQNHSA-N 0 3 395.547 3.974 20 10 GHCDHN CCOC(=O)c1cnn(C2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)c1C ZINC000835052419 1021821445 /nfs/dbraw/zinc/82/14/45/1021821445.db2.gz NSOWXCBVGSHXPK-SREVYHEPSA-N 0 3 396.535 3.785 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067752 1021850749 /nfs/dbraw/zinc/85/07/49/1021850749.db2.gz BFTVRVDNTQSCQN-WBVHZDCISA-N 0 3 378.513 3.774 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067752 1021850770 /nfs/dbraw/zinc/85/07/70/1021850770.db2.gz BFTVRVDNTQSCQN-WBVHZDCISA-N 0 3 378.513 3.774 20 10 GHCDHN Cc1ccc(O)c(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1 ZINC001140620610 1022093170 /nfs/dbraw/zinc/09/31/70/1022093170.db2.gz VDMHFOZOWFCJDY-UHFFFAOYSA-N 0 3 377.488 3.879 20 10 GHCDHN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140664171 1022207225 /nfs/dbraw/zinc/20/72/25/1022207225.db2.gz AFICDMZPWCPKOY-QFIPXVFZSA-N 0 3 397.538 3.759 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c(Cl)c1 ZINC001140923524 1022897791 /nfs/dbraw/zinc/89/77/91/1022897791.db2.gz BFWOVDMCTCQQQV-APWZRJJASA-N 0 3 390.984 3.959 20 10 GHCDHN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C)cc3[O-])O2)cs1 ZINC001140950071 1022971688 /nfs/dbraw/zinc/97/16/88/1022971688.db2.gz LOUPPKKRVQOQIT-SFHLNBCPSA-N 0 3 388.533 3.804 20 10 GHCDHN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(C)cc3[O-])O2)cs1 ZINC001140950071 1022971692 /nfs/dbraw/zinc/97/16/92/1022971692.db2.gz LOUPPKKRVQOQIT-SFHLNBCPSA-N 0 3 388.533 3.804 20 10 GHCDHN Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c([O-])c1 ZINC001140950401 1022972429 /nfs/dbraw/zinc/97/24/29/1022972429.db2.gz RZJOCRQMYHWSSC-HSZRJFAPSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c([O-])c1 ZINC001140950401 1022972433 /nfs/dbraw/zinc/97/24/33/1022972433.db2.gz RZJOCRQMYHWSSC-HSZRJFAPSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001140952577 1022981460 /nfs/dbraw/zinc/98/14/60/1022981460.db2.gz XWLGMVMKIXQLGP-UHFFFAOYSA-N 0 3 376.500 3.991 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Sc3ccccc3OC)C2)c(OC)c1 ZINC001141030522 1023295309 /nfs/dbraw/zinc/29/53/09/1023295309.db2.gz AFBFPFATFQQQLR-OAHLLOKOSA-N 0 3 375.490 3.785 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Sc3ccccc3OC)C2)c(OC)c1 ZINC001141030522 1023295319 /nfs/dbraw/zinc/29/53/19/1023295319.db2.gz AFBFPFATFQQQLR-OAHLLOKOSA-N 0 3 375.490 3.785 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c(OC)c1 ZINC001141031805 1023298281 /nfs/dbraw/zinc/29/82/81/1023298281.db2.gz MCPRLEAMJSJNOL-HUUCEWRRSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c(OC)c1 ZINC001141031805 1023298291 /nfs/dbraw/zinc/29/82/91/1023298291.db2.gz MCPRLEAMJSJNOL-HUUCEWRRSA-N 0 3 394.512 3.535 20 10 GHCDHN Cc1cncnc1OC1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078824 1023445279 /nfs/dbraw/zinc/44/52/79/1023445279.db2.gz KTMOUDOSLHTDBV-UHFFFAOYSA-N 0 3 378.520 3.527 20 10 GHCDHN Cc1ccc([C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CCC2)o1 ZINC000756443777 1023654051 /nfs/dbraw/zinc/65/40/51/1023654051.db2.gz UZORDBPTQCXQFZ-KNQAVFIVSA-N 0 3 381.520 3.921 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000756763245 1023804187 /nfs/dbraw/zinc/80/41/87/1023804187.db2.gz VULJBPTUEZYHBH-JSGCOSHPSA-N 0 3 387.373 3.932 20 10 GHCDHN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000756770622 1023808982 /nfs/dbraw/zinc/80/89/82/1023808982.db2.gz YLIYIYCYXFNBLA-WMRHFDQTSA-N 0 3 380.822 3.946 20 10 GHCDHN O=C1N(CC2CC2)CCC12CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138221995 1024399168 /nfs/dbraw/zinc/39/91/68/1024399168.db2.gz AGEIAHPXMHDKOO-UHFFFAOYSA-N 0 3 381.564 3.901 20 10 GHCDHN Cc1nc(CN2CCC3(CN(Cc4c(C)n(C)c5ccccc54)C3)C2)cs1 ZINC001138255942 1024480366 /nfs/dbraw/zinc/48/03/66/1024480366.db2.gz YMPZMGBVXPDSNV-UHFFFAOYSA-N 0 3 380.561 3.960 20 10 GHCDHN Oc1c(CN2CCN(CCc3cccs3)CC2)cc2c3c1CCCN3CCC2 ZINC001138337786 1024699073 /nfs/dbraw/zinc/69/90/73/1024699073.db2.gz ZFUPEVDUNOAPKF-UHFFFAOYSA-N 0 3 397.588 3.513 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC(=O)N(CC4CC4)C3)CC2)c(OC)c1 ZINC001138391539 1024770023 /nfs/dbraw/zinc/77/00/23/1024770023.db2.gz FRRGJJRCJLXJCB-UHFFFAOYSA-N 0 3 399.579 3.766 20 10 GHCDHN COc1cc(C)ccc1OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499381 1024932240 /nfs/dbraw/zinc/93/22/40/1024932240.db2.gz GZJOQTUJCUZHGB-UHFFFAOYSA-N 0 3 396.531 3.884 20 10 GHCDHN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1cc(CN(C)C)c(O)c(OC)c1 ZINC001139260647 1026110343 /nfs/dbraw/zinc/11/03/43/1026110343.db2.gz ODESWMLDIHDNCR-HXUWFJFHSA-N 0 3 384.520 3.946 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc(OC)c4[nH]ccc43)CC2)cc1 ZINC001164334719 1026489287 /nfs/dbraw/zinc/48/92/87/1026489287.db2.gz YZQWYQFDQAJXRM-UHFFFAOYSA-N 0 3 394.519 3.809 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2ccccc21 ZINC001140055585 1026835910 /nfs/dbraw/zinc/83/59/10/1026835910.db2.gz LVRVDRJWDIRUNK-INIZCTEOSA-N 0 3 382.479 3.689 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccc(C)cc21 ZINC001203552909 1027429870 /nfs/dbraw/zinc/42/98/70/1027429870.db2.gz VHBFRIVLXSBBNG-HXUWFJFHSA-N 0 3 379.504 3.608 20 10 GHCDHN O=C(C1=CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccccc21)N1CCCC1 ZINC001203552943 1027430246 /nfs/dbraw/zinc/43/02/46/1027430246.db2.gz WDFVRHIITXQAHV-UHFFFAOYSA-N 0 3 388.511 3.945 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203622222 1027483282 /nfs/dbraw/zinc/48/32/82/1027483282.db2.gz UWBDUPRZMZMQGE-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203622222 1027483295 /nfs/dbraw/zinc/48/32/95/1027483295.db2.gz UWBDUPRZMZMQGE-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+](C2CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203634459 1027491634 /nfs/dbraw/zinc/49/16/34/1027491634.db2.gz HCBBMAQJHGALMK-QGZVFWFLSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1ccc(C[N@@H+](C2CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203634459 1027491654 /nfs/dbraw/zinc/49/16/54/1027491654.db2.gz HCBBMAQJHGALMK-QGZVFWFLSA-N 0 3 376.497 3.765 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000840930767 1027965029 /nfs/dbraw/zinc/96/50/29/1027965029.db2.gz OOIBIOTVNOFUDG-KDURUIRLSA-N 0 3 395.547 3.600 20 10 GHCDHN c1ccc([C@H]2N(Cc3ccc(N4CCOCC4)cc3)CC23CCOCC3)cc1 ZINC000840964240 1027999725 /nfs/dbraw/zinc/99/97/25/1027999725.db2.gz VAKQFNPPMNRHJN-HSZRJFAPSA-N 0 3 378.516 3.877 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(N3CCCC3)c2)N(C)C)cc1 ZINC001214941510 1028972791 /nfs/dbraw/zinc/97/27/91/1028972791.db2.gz WOAQGAMARVZCNF-JOCHJYFZSA-N 0 3 395.551 3.777 20 10 GHCDHN CN(Cc1cccc(C(C)(C)C)c1O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001143104630 1029842701 /nfs/dbraw/zinc/84/27/01/1029842701.db2.gz WFOAYEQHAKYVEH-QGZVFWFLSA-N 0 3 392.540 3.757 20 10 GHCDHN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)=C1 ZINC001218127740 1030788089 /nfs/dbraw/zinc/78/80/89/1030788089.db2.gz CACQVVRWJRWBBL-XUZYILTFSA-N 0 3 384.392 3.614 20 10 GHCDHN CN1CCN(c2ccc(CNCc3csc(-c4cccs4)n3)cc2)CC1 ZINC001461711900 1069694791 /nfs/dbraw/zinc/69/47/91/1069694791.db2.gz GFKFDRFCCNBPEP-UHFFFAOYSA-N 0 3 384.574 3.913 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001220212408 1031838206 /nfs/dbraw/zinc/83/82/06/1031838206.db2.gz IMHLRBBIVKFBQT-HNAYVOBHSA-N 0 3 395.890 3.951 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cc(F)ccc1N(C)C ZINC001461832917 1069777567 /nfs/dbraw/zinc/77/75/67/1069777567.db2.gz CDNVPQSHSFLEDH-INIZCTEOSA-N 0 3 388.506 3.633 20 10 GHCDHN COc1cccc([C@H](N)CC(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001157433183 1033583962 /nfs/dbraw/zinc/58/39/62/1033583962.db2.gz IRSNJLGGYANWKW-GCJKJVERSA-N 0 3 382.504 3.847 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001157436135 1033588515 /nfs/dbraw/zinc/58/85/15/1033588515.db2.gz ZMWNDRKAJGFNBJ-XUZZJYLKSA-N 0 3 396.506 3.774 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]12CCN(c1cccnc1)C2=O ZINC001231586695 1034737092 /nfs/dbraw/zinc/73/70/92/1034737092.db2.gz FMEOKMNJVMPRQB-MZNJEOGPSA-N 0 3 387.483 3.815 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]12CCN(c1cccnc1)C2=O ZINC001231586695 1034737105 /nfs/dbraw/zinc/73/71/05/1034737105.db2.gz FMEOKMNJVMPRQB-MZNJEOGPSA-N 0 3 387.483 3.815 20 10 GHCDHN O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231589130 1034743584 /nfs/dbraw/zinc/74/35/84/1034743584.db2.gz XMGAJKIUYVRRIV-SFHVURJKSA-N 0 3 394.515 3.585 20 10 GHCDHN COC(=O)c1ccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC001231591255 1034745145 /nfs/dbraw/zinc/74/51/45/1034745145.db2.gz ZPZDPIPVSIUEKB-UHFFFAOYSA-N 0 3 376.456 3.654 20 10 GHCDHN COc1cc(N(C)C)ccc1CN(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231851539 1034942393 /nfs/dbraw/zinc/94/23/93/1034942393.db2.gz ISOPSNXQZGBCCI-GOSISDBHSA-N 0 3 377.529 3.593 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001231852048 1034942585 /nfs/dbraw/zinc/94/25/85/1034942585.db2.gz GEGDNVNVUVJTLI-UHFFFAOYSA-N 0 3 388.515 3.819 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001231851984 1034942659 /nfs/dbraw/zinc/94/26/59/1034942659.db2.gz PPPFTQBTSRWJMN-JOCHJYFZSA-N 0 3 389.540 3.737 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001231852853 1034943695 /nfs/dbraw/zinc/94/36/95/1034943695.db2.gz RGYXKTKQQXZVQR-UHFFFAOYSA-N 0 3 394.544 3.881 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1nc2nc[nH]c2cc1Cl)c1ccccc1O ZINC001160619259 1035017384 /nfs/dbraw/zinc/01/73/84/1035017384.db2.gz SJWYGMGYLWHHJY-QZTJIDSGSA-N 0 3 395.850 3.876 20 10 GHCDHN CC(C)Cc1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])ncn1 ZINC001160624891 1035019767 /nfs/dbraw/zinc/01/97/67/1035019767.db2.gz VJTXEITXPGYYAL-FGZHOGPDSA-N 0 3 378.476 3.940 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc5n4CCC5)C3)C2)cc1 ZINC001248821607 1036182479 /nfs/dbraw/zinc/18/24/79/1036182479.db2.gz GPPDCOABBPNFDT-XMMPIXPASA-N 0 3 395.547 3.562 20 10 GHCDHN COC(=O)c1c(CN2CC[C@H](Oc3ccccc3C)C2)c2ccccc2n1C ZINC001232406475 1038189333 /nfs/dbraw/zinc/18/93/33/1038189333.db2.gz WSAPRDNZXMDMPN-KRWDZBQOSA-N 0 3 378.472 3.927 20 10 GHCDHN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N(C)C)cc1O ZINC001232841148 1038592177 /nfs/dbraw/zinc/59/21/77/1038592177.db2.gz UWAZMLHYKROJEX-GOSISDBHSA-N 0 3 377.529 3.680 20 10 GHCDHN Cc1nc(C(C)(C)NCc2ccc(N3CCN(C)CC3)c(F)c2)sc1C ZINC001251983394 1038793039 /nfs/dbraw/zinc/79/30/39/1038793039.db2.gz RZQCJKPZPQCJMR-UHFFFAOYSA-N 0 3 376.545 3.676 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c1O ZINC001233289205 1039072372 /nfs/dbraw/zinc/07/23/72/1039072372.db2.gz NBEMRLIFOQIIOR-KZNAEPCWSA-N 0 3 383.916 3.849 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001233290732 1039076990 /nfs/dbraw/zinc/07/69/90/1039076990.db2.gz STGWSDIQUYWVAS-SJORKVTESA-N 0 3 393.842 3.582 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001233290732 1039077008 /nfs/dbraw/zinc/07/70/08/1039077008.db2.gz STGWSDIQUYWVAS-SJORKVTESA-N 0 3 393.842 3.582 20 10 GHCDHN CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754324 1039592335 /nfs/dbraw/zinc/59/23/35/1039592335.db2.gz DJNINUJIKMIFHT-SFHVURJKSA-N 0 3 386.414 3.514 20 10 GHCDHN CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754324 1039592347 /nfs/dbraw/zinc/59/23/47/1039592347.db2.gz DJNINUJIKMIFHT-SFHVURJKSA-N 0 3 386.414 3.514 20 10 GHCDHN O=C1[C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2CN1Cc1ccncc1 ZINC001234989887 1040485644 /nfs/dbraw/zinc/48/56/44/1040485644.db2.gz XIDFKMWILYFWLJ-GMAHTHKFSA-N 0 3 399.494 3.545 20 10 GHCDHN O=C1[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2CN1Cc1ccncc1 ZINC001234989887 1040485652 /nfs/dbraw/zinc/48/56/52/1040485652.db2.gz XIDFKMWILYFWLJ-GMAHTHKFSA-N 0 3 399.494 3.545 20 10 GHCDHN COc1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c([O-])c1Cl ZINC001235385269 1040903859 /nfs/dbraw/zinc/90/38/59/1040903859.db2.gz UNLSIXZGKQIVPC-GCJKJVERSA-N 0 3 386.923 3.807 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c([O-])c1 ZINC001235677735 1041139026 /nfs/dbraw/zinc/13/90/26/1041139026.db2.gz GTPGAXXSSLXOJJ-UHFFFAOYSA-N 0 3 392.503 3.632 20 10 GHCDHN COc1cc([O-])c(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1Br ZINC001236459227 1041722856 /nfs/dbraw/zinc/72/28/56/1041722856.db2.gz ISDJBDNTWCZDQD-UHFFFAOYSA-N 0 3 385.346 3.763 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1Br ZINC001236459227 1041722862 /nfs/dbraw/zinc/72/28/62/1041722862.db2.gz ISDJBDNTWCZDQD-UHFFFAOYSA-N 0 3 385.346 3.763 20 10 GHCDHN COC(=O)c1cccc(CN(Cc2c([O-])cccc2Cl)C2CC[NH2+]CC2)c1 ZINC001236465497 1041726960 /nfs/dbraw/zinc/72/69/60/1041726960.db2.gz UHTQEEFLYIRINR-UHFFFAOYSA-N 0 3 388.895 3.586 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001236791206 1041896831 /nfs/dbraw/zinc/89/68/31/1041896831.db2.gz YJGHPARMFRGSDC-GJZGRUSLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001236791206 1041896839 /nfs/dbraw/zinc/89/68/39/1041896839.db2.gz YJGHPARMFRGSDC-GJZGRUSLSA-N 0 3 378.303 3.658 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)c([O-])c1 ZINC001236810716 1041910347 /nfs/dbraw/zinc/91/03/47/1041910347.db2.gz IWHDNUKCUWJLCT-OAQYLSRUSA-N 0 3 394.515 3.547 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c([O-])c1 ZINC001236815061 1041913525 /nfs/dbraw/zinc/91/35/25/1041913525.db2.gz HVKTWDZVVJELAH-UHFFFAOYSA-N 0 3 380.286 3.505 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001236828719 1041919899 /nfs/dbraw/zinc/91/98/99/1041919899.db2.gz CNQGXKGABMSJOJ-ISKFKSNPSA-N 0 3 390.483 3.606 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001236828719 1041919901 /nfs/dbraw/zinc/91/99/01/1041919901.db2.gz CNQGXKGABMSJOJ-ISKFKSNPSA-N 0 3 390.483 3.606 20 10 GHCDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C2(CC2)C1 ZINC001236853407 1041929233 /nfs/dbraw/zinc/92/92/33/1041929233.db2.gz ZENKCZTXFHDMQK-OAHLLOKOSA-N 0 3 388.508 3.896 20 10 GHCDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C2(CC2)C1 ZINC001236853407 1041929236 /nfs/dbraw/zinc/92/92/36/1041929236.db2.gz ZENKCZTXFHDMQK-OAHLLOKOSA-N 0 3 388.508 3.896 20 10 GHCDHN Oc1ccc2cc(Br)ccc2c1CN1CCNC[C@H]1C(F)(F)F ZINC001236981323 1041977215 /nfs/dbraw/zinc/97/72/15/1041977215.db2.gz NDXYCLZOKXKCOK-HNNXBMFYSA-N 0 3 389.215 3.644 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c([O-])c1 ZINC001237042117 1042002210 /nfs/dbraw/zinc/00/22/10/1042002210.db2.gz WHMJVUGOUUABEV-QFIPXVFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c([O-])c1 ZINC001237042117 1042002220 /nfs/dbraw/zinc/00/22/20/1042002220.db2.gz WHMJVUGOUUABEV-QFIPXVFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c([O-])c1 ZINC001237042495 1042002686 /nfs/dbraw/zinc/00/26/86/1042002686.db2.gz WNYKHIWJFUVTTA-UHFFFAOYSA-N 0 3 380.448 3.616 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237050635 1042009203 /nfs/dbraw/zinc/00/92/03/1042009203.db2.gz SRDGNNRHRQHVND-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237050635 1042009211 /nfs/dbraw/zinc/00/92/11/1042009211.db2.gz SRDGNNRHRQHVND-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c([O-])c1 ZINC001237052225 1042010526 /nfs/dbraw/zinc/01/05/26/1042010526.db2.gz SAPXVARJWPYUBY-FPOVZHCZSA-N 0 3 382.479 3.745 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c([O-])c1 ZINC001237052225 1042010536 /nfs/dbraw/zinc/01/05/36/1042010536.db2.gz SAPXVARJWPYUBY-FPOVZHCZSA-N 0 3 382.479 3.745 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1C ZINC001237058738 1042014054 /nfs/dbraw/zinc/01/40/54/1042014054.db2.gz BOFUGJYWSYHKQT-UONOGXRCSA-N 0 3 389.414 3.745 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1C ZINC001237058738 1042014062 /nfs/dbraw/zinc/01/40/62/1042014062.db2.gz BOFUGJYWSYHKQT-UONOGXRCSA-N 0 3 389.414 3.745 20 10 GHCDHN COC(=O)[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)Cc2ccccc21 ZINC001237063377 1042016373 /nfs/dbraw/zinc/01/63/73/1042016373.db2.gz UNNSUXDOCMJAFH-QGZVFWFLSA-N 0 3 395.377 3.606 20 10 GHCDHN Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237063514 1042017433 /nfs/dbraw/zinc/01/74/33/1042017433.db2.gz SKZLAARAEHERGI-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237063514 1042017438 /nfs/dbraw/zinc/01/74/38/1042017438.db2.gz SKZLAARAEHERGI-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC001462583557 1070388156 /nfs/dbraw/zinc/38/81/56/1070388156.db2.gz YIQUXWVBQHKNOO-LEWJYISDSA-N 0 3 384.545 3.641 20 10 GHCDHN COC(=O)CCN(Cc1ccccc1)Cc1c(O)cccc1OC(F)(F)F ZINC001237111801 1042044022 /nfs/dbraw/zinc/04/40/22/1042044022.db2.gz UDVWMTFNUKDTRN-UHFFFAOYSA-N 0 3 383.366 3.856 20 10 GHCDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237111801 1042044028 /nfs/dbraw/zinc/04/40/28/1042044028.db2.gz UDVWMTFNUKDTRN-UHFFFAOYSA-N 0 3 383.366 3.856 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237111801 1042044035 /nfs/dbraw/zinc/04/40/35/1042044035.db2.gz UDVWMTFNUKDTRN-UHFFFAOYSA-N 0 3 383.366 3.856 20 10 GHCDHN NC(=O)c1ccc(O[C@H]2CCCN(Cc3cc(C(F)(F)F)ccc3O)C2)cc1 ZINC001237145268 1042063907 /nfs/dbraw/zinc/06/39/07/1042063907.db2.gz YJMWDBDSBHTIQT-KRWDZBQOSA-N 0 3 394.393 3.553 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CF)[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001237484658 1042228834 /nfs/dbraw/zinc/22/88/34/1042228834.db2.gz GOILHGYXDDAJTA-RDJZCZTQSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CF)[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001237484658 1042228837 /nfs/dbraw/zinc/22/88/37/1042228837.db2.gz GOILHGYXDDAJTA-RDJZCZTQSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001237488759 1042231146 /nfs/dbraw/zinc/23/11/46/1042231146.db2.gz PBGGQUACFPERTF-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001237488759 1042231149 /nfs/dbraw/zinc/23/11/49/1042231149.db2.gz PBGGQUACFPERTF-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN COc1ncnc2c1CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])CC2 ZINC001237643964 1042300706 /nfs/dbraw/zinc/30/07/06/1042300706.db2.gz UXOVPOWZLIHBRV-UHFFFAOYSA-N 0 3 379.435 3.598 20 10 GHCDHN COc1ncnc2c1CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])CC2 ZINC001237643964 1042300714 /nfs/dbraw/zinc/30/07/14/1042300714.db2.gz UXOVPOWZLIHBRV-UHFFFAOYSA-N 0 3 379.435 3.598 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237645330 1042301309 /nfs/dbraw/zinc/30/13/09/1042301309.db2.gz KLTUDUNIBZTBKH-HSZRJFAPSA-N 0 3 390.462 3.843 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237645330 1042301314 /nfs/dbraw/zinc/30/13/14/1042301314.db2.gz KLTUDUNIBZTBKH-HSZRJFAPSA-N 0 3 390.462 3.843 20 10 GHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCN(Cc2ccccn2)CC1 ZINC001237647302 1042301695 /nfs/dbraw/zinc/30/16/95/1042301695.db2.gz WZLSFQWJULZOMY-UHFFFAOYSA-N 0 3 377.463 3.911 20 10 GHCDHN COc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)c(Cl)cc3[O-])CC2)cc1 ZINC001237936680 1042427924 /nfs/dbraw/zinc/42/79/24/1042427924.db2.gz LOUKSEHCXKIKLC-UHFFFAOYSA-N 0 3 392.858 3.588 20 10 GHCDHN COc1ccc(N2CCN([C@H]3CCO[C@H](c4ccccc4)C3)CC2)c(OC)c1 ZINC001256829975 1043682166 /nfs/dbraw/zinc/68/21/66/1043682166.db2.gz MQGQPYJNNIYXJT-UGKGYDQZSA-N 0 3 382.504 3.746 20 10 GHCDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@@H]1N(C)C ZINC001295851188 1045167295 /nfs/dbraw/zinc/16/72/95/1045167295.db2.gz DCSVDEAXNJQGTP-OALUTQOASA-N 0 3 391.968 3.865 20 10 GHCDHN CCCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289602727 1049557935 /nfs/dbraw/zinc/55/79/35/1049557935.db2.gz WPXRJJHVCNBZMT-OAQYLSRUSA-N 0 3 399.535 3.583 20 10 GHCDHN Cc1cc(CN2CCN(CCc3ccncc3)CC2)ccc1N1CCCCC1 ZINC001308004268 1049753423 /nfs/dbraw/zinc/75/34/23/1049753423.db2.gz ILIPUAYQXXBQFV-UHFFFAOYSA-N 0 3 378.564 3.741 20 10 GHCDHN COc1ccc(F)cc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001308261234 1049930030 /nfs/dbraw/zinc/93/00/30/1049930030.db2.gz AUUHKMGKAYMIIX-GOSISDBHSA-N 0 3 378.875 3.948 20 10 GHCDHN Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1 ZINC001308354178 1049956940 /nfs/dbraw/zinc/95/69/40/1049956940.db2.gz UAPZFURGTWVBLK-FQEVSTJZSA-N 0 3 384.524 3.812 20 10 GHCDHN Fc1cc(CNCc2ccc3scnc3c2)cc(F)c1N1CCOCC1 ZINC001308431412 1049974930 /nfs/dbraw/zinc/97/49/30/1049974930.db2.gz PCFRBDCQVWRHQF-UHFFFAOYSA-N 0 3 375.444 3.701 20 10 GHCDHN Cc1cc(CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)c(C)n1-c1ccccc1 ZINC001313100461 1052957741 /nfs/dbraw/zinc/95/77/41/1052957741.db2.gz LOTRLBRACOTBGA-VXKWHMMOSA-N 0 3 380.536 3.515 20 10 GHCDHN C[C@@H](c1ccccc1F)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313411830 1053046125 /nfs/dbraw/zinc/04/61/25/1053046125.db2.gz JHULPHYNJZXNRJ-HRAATJIYSA-N 0 3 386.515 3.897 20 10 GHCDHN Cc1ccccc1CC1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001313413031 1053046703 /nfs/dbraw/zinc/04/67/03/1053046703.db2.gz LMLJBFIVCBNQTO-QHCPKHFHSA-N 0 3 394.563 3.548 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)c1[O-] ZINC000848547642 1057169952 /nfs/dbraw/zinc/16/99/52/1057169952.db2.gz REOGRUPRYKBWKB-XJKSGUPXSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COc3ccccc32)c1[O-] ZINC000848550361 1057171305 /nfs/dbraw/zinc/17/13/05/1057171305.db2.gz KJLWHVAEZUWJFG-RYUDHWBXSA-N 0 3 378.266 3.990 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CF)CCOCC2)c1[O-] ZINC000848554308 1057174719 /nfs/dbraw/zinc/17/47/19/1057174719.db2.gz SQFUBMQAYRBCRA-LLVKDONJSA-N 0 3 376.266 3.580 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CC(C)(C)Oc4ccc(N)cc43)cc2F)CC1 ZINC001325625292 1057347062 /nfs/dbraw/zinc/34/70/62/1057347062.db2.gz JTAHJOAFLWTEMP-HXUWFJFHSA-N 0 3 398.526 3.552 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2N2CCCC2)N(C)C)cc1 ZINC001465026452 1065335510 /nfs/dbraw/zinc/33/55/10/1065335510.db2.gz WMQOCFRPEYUNFO-JOCHJYFZSA-N 0 3 395.551 3.777 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=S)NCCN1CCCCC1 ZINC001200445324 1066245256 /nfs/dbraw/zinc/24/52/56/1066245256.db2.gz YUKMUJOQGVGQPI-LJQANCHMSA-N 0 3 375.582 3.582 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(-c3ccon3)c2)N(C)C)cc1 ZINC001467353726 1067245590 /nfs/dbraw/zinc/24/55/90/1067245590.db2.gz PQYSCFPQDDNNHX-NRFANRHFSA-N 0 3 393.491 3.832 20 10 GHCDHN CN(C)C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(Cl)cc1 ZINC001467484039 1067320608 /nfs/dbraw/zinc/32/06/08/1067320608.db2.gz XIHGACFIQQGIQR-AWEZNQCLSA-N 0 3 390.892 3.999 20 10 GHCDHN CCOc1cc(C)ccc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469354199 1068119103 /nfs/dbraw/zinc/11/91/03/1068119103.db2.gz ARUUSZLBRIWDKM-NRFANRHFSA-N 0 3 398.551 3.562 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](c2ccccn2)C2CCC2)N(C)C)cc1 ZINC001470856668 1072775627 /nfs/dbraw/zinc/77/56/27/1072775627.db2.gz VKKLJWODJJBQRI-FCHUYYIVSA-N 0 3 395.551 3.591 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(O)c3ccccc3c2)N(C)C)cc1 ZINC001472281462 1073396573 /nfs/dbraw/zinc/39/65/73/1073396573.db2.gz WLVBCCPIRZGMDV-NRFANRHFSA-N 0 3 377.488 3.644 20 10 GHCDHN Cc1cccc(C)c1CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001479532990 1079224306 /nfs/dbraw/zinc/22/43/06/1079224306.db2.gz HHTKQZLSBKXRTA-JOCHJYFZSA-N 0 3 382.552 3.814 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001473997091 1074230452 /nfs/dbraw/zinc/23/04/52/1074230452.db2.gz MKZGVXSWZHLRDO-FEHORTKBSA-N 0 3 378.944 3.805 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC001473997093 1074230518 /nfs/dbraw/zinc/23/05/18/1074230518.db2.gz MKZGVXSWZHLRDO-GJJHYRHESA-N 0 3 378.944 3.805 20 10 GHCDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000180917644 837703463 /nfs/dbraw/zinc/70/34/63/837703463.db2.gz AAXOZIVNUSTYAN-FCHUYYIVSA-N 0 3 381.520 3.603 20 10 GHCDHN Cc1cc2ncc([C@H](C)NCc3ccc(N4CCSCC4)cc3)c(C)n2n1 ZINC000179400198 835679533 /nfs/dbraw/zinc/67/95/33/835679533.db2.gz XWRIBFPUZCLKHD-INIZCTEOSA-N 0 3 381.549 3.750 20 10 GHCDHN c1ccc(OCc2cccnc2)c(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000067222129 844205903 /nfs/dbraw/zinc/20/59/03/844205903.db2.gz SSRXSKKYMYOWJB-UHFFFAOYSA-N 0 3 389.499 3.787 20 10 GHCDHN COC(=O)c1c[nH]c(CNCc2ccc(N3CCSCC3)cc2)c1C1CC1 ZINC000892613519 837101955 /nfs/dbraw/zinc/10/19/55/837101955.db2.gz VJQBXDSXLDJYNA-UHFFFAOYSA-N 0 3 385.533 3.522 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000728948977 844273884 /nfs/dbraw/zinc/27/38/84/844273884.db2.gz LRXBDXFWVWJCGB-LZLYRXPVSA-N 0 3 383.492 3.597 20 10 GHCDHN COc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(O)c1OC ZINC000892686270 838398338 /nfs/dbraw/zinc/39/83/38/838398338.db2.gz JXPGSPPQILANJQ-CYBMUJFWSA-N 0 3 385.439 3.893 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000182382326 839053313 /nfs/dbraw/zinc/05/33/13/839053313.db2.gz HEWUQZSQBYJXJK-QGZVFWFLSA-N 0 3 382.504 3.533 20 10 GHCDHN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000363817773 839082562 /nfs/dbraw/zinc/08/25/62/839082562.db2.gz HNJIHGINVOEXSA-OXQOHEQNSA-N 0 3 386.515 3.733 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)c(N)c2Cl)N(C)C)cc1 ZINC000891249084 839330228 /nfs/dbraw/zinc/33/02/28/839330228.db2.gz PHMRGNBLMCHFRO-INIZCTEOSA-N 0 3 395.334 3.674 20 10 GHCDHN COCCN1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000731006994 861404317 /nfs/dbraw/zinc/40/43/17/861404317.db2.gz DBHQVCJCJMUHRM-IBGZPJMESA-N 0 3 389.927 3.588 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccc(C)cc1[O-] ZINC000280284037 846351066 /nfs/dbraw/zinc/35/10/66/846351066.db2.gz YQQSBVQTFGGYMJ-NRFANRHFSA-N 0 3 396.531 3.984 20 10 GHCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCN(C2CC2)C1 ZINC000732188125 862114282 /nfs/dbraw/zinc/11/42/82/862114282.db2.gz GLLCTYNYSXPVMD-MRXNPFEDSA-N 0 3 375.310 3.976 20 10 GHCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCN(C2CC2)C1 ZINC000732188125 862114289 /nfs/dbraw/zinc/11/42/89/862114289.db2.gz GLLCTYNYSXPVMD-MRXNPFEDSA-N 0 3 375.310 3.976 20 10 GHCDHN COC(=O)c1c(C)[nH]c(C(=O)CN(Cc2ccccc2O)C2CCCC2)c1C ZINC000732204093 862146512 /nfs/dbraw/zinc/14/65/12/862146512.db2.gz CSMOFMZDWFEESH-UHFFFAOYSA-N 0 3 384.476 3.751 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001167984253 852436953 /nfs/dbraw/zinc/43/69/53/852436953.db2.gz QUOSDUAZACAEBH-RTBURBONSA-N 0 3 390.524 3.773 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001167984253 852436957 /nfs/dbraw/zinc/43/69/57/852436957.db2.gz QUOSDUAZACAEBH-RTBURBONSA-N 0 3 390.524 3.773 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000171731597 862712302 /nfs/dbraw/zinc/71/23/02/862712302.db2.gz VLNUCNUZCBHKER-MRXNPFEDSA-N 0 3 397.519 3.598 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000765036630 859742791 /nfs/dbraw/zinc/74/27/91/859742791.db2.gz MOBIDFNUYHKSGV-CVEARBPZSA-N 0 3 397.494 3.959 20 10 GHCDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000765230732 859857698 /nfs/dbraw/zinc/85/76/98/859857698.db2.gz SZPCALOHWABTPC-AUSIDOKSSA-N 0 3 392.547 3.607 20 10 GHCDHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000727952502 860333941 /nfs/dbraw/zinc/33/39/41/860333941.db2.gz NBOWZKXJSIJUPX-UHFFFAOYSA-N 0 3 393.491 3.983 20 10 GHCDHN CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nnc2n1CCCCC2 ZINC000765645293 860376497 /nfs/dbraw/zinc/37/64/97/860376497.db2.gz RXFALECJBFVZQX-HXUWFJFHSA-N 0 3 383.540 3.723 20 10 GHCDHN CNC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000792774962 881688412 /nfs/dbraw/zinc/68/84/12/881688412.db2.gz ZLBDIGVDJUXZNN-UHFFFAOYSA-N 0 3 379.426 3.763 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000734281004 864116449 /nfs/dbraw/zinc/11/64/49/864116449.db2.gz VKXQMBHUGXZYCT-LAUBAEHRSA-N 0 3 397.519 3.988 20 10 GHCDHN COc1ccc(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1C ZINC000736359911 865187953 /nfs/dbraw/zinc/18/79/53/865187953.db2.gz JEVRXJGHJGASBY-UHFFFAOYSA-N 0 3 375.472 3.965 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1F ZINC000740004723 865823874 /nfs/dbraw/zinc/82/38/74/865823874.db2.gz UHGZFNKUQXQMJO-JOCHJYFZSA-N 0 3 397.538 3.995 20 10 GHCDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000183094090 866219860 /nfs/dbraw/zinc/21/98/60/866219860.db2.gz RARZJIKWCPRIGQ-DHIUTWEWSA-N 0 3 397.515 3.723 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccnc4ccsc43)CC2)cc1 ZINC000742257153 867171489 /nfs/dbraw/zinc/17/14/89/867171489.db2.gz OWYXNVXAHCPNTR-UHFFFAOYSA-N 0 3 382.533 3.929 20 10 GHCDHN Cc1cc(CNCc2ccc(OCC(N)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000742700483 867496721 /nfs/dbraw/zinc/49/67/21/867496721.db2.gz NKOXHTPXLFRLSO-UHFFFAOYSA-N 0 3 377.488 3.556 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cc(F)ccc1[O-] ZINC000793560110 882267912 /nfs/dbraw/zinc/26/79/12/882267912.db2.gz MJHWCIHHUXQVIN-DMZKTXOQSA-N 0 3 397.450 3.607 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151533573 869506204 /nfs/dbraw/zinc/50/62/04/869506204.db2.gz VBHBQJZPBKPDPO-HNNXBMFYSA-N 0 3 387.455 3.854 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746423789 870651344 /nfs/dbraw/zinc/65/13/44/870651344.db2.gz XQWLJMFKCOUEMK-HSZRJFAPSA-N 0 3 394.563 3.867 20 10 GHCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775668248 872566203 /nfs/dbraw/zinc/56/62/03/872566203.db2.gz UPGQTEVNNVBNKY-AWEZNQCLSA-N 0 3 383.330 3.591 20 10 GHCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775668248 872566208 /nfs/dbraw/zinc/56/62/08/872566208.db2.gz UPGQTEVNNVBNKY-AWEZNQCLSA-N 0 3 383.330 3.591 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1[O-] ZINC000527753022 873559733 /nfs/dbraw/zinc/55/97/33/873559733.db2.gz RKSJBXUHRMZLGM-MRXNPFEDSA-N 0 3 383.330 3.660 20 10 GHCDHN CCOc1ccc(CN(CCC(=O)OC)Cc2ccc(F)c(F)c2)c(O)c1 ZINC000769386718 874013209 /nfs/dbraw/zinc/01/32/09/874013209.db2.gz FOKSZEKGYNVYBG-UHFFFAOYSA-N 0 3 379.403 3.634 20 10 GHCDHN C[C@H](NCC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775831070 874271958 /nfs/dbraw/zinc/27/19/58/874271958.db2.gz OQIOHRAGAMNKAK-HNNXBMFYSA-N 0 3 391.462 3.663 20 10 GHCDHN Cc1oc(C(C)(C)C)cc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001199609652 875077157 /nfs/dbraw/zinc/07/71/57/875077157.db2.gz VSGAGBDQSHDPFZ-GOSISDBHSA-N 0 3 383.536 3.877 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1[O-] ZINC000776173865 875691640 /nfs/dbraw/zinc/69/16/40/875691640.db2.gz BUJGTZOQPJLTHE-UHFFFAOYSA-N 0 3 377.282 3.970 20 10 GHCDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000772523359 875996530 /nfs/dbraw/zinc/99/65/30/875996530.db2.gz ZPEHWQQYQSQOBY-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3ccc(F)c(F)c3F)cc2F)CC1 ZINC000850125973 876685429 /nfs/dbraw/zinc/68/54/29/876685429.db2.gz KXVILCKCDZQYPK-UHFFFAOYSA-N 0 3 381.417 3.675 20 10 GHCDHN Oc1cc2c(cc1CN[C@H]1CSCc3ccc(Br)cc31)OCO2 ZINC000850376081 876860848 /nfs/dbraw/zinc/86/08/48/876860848.db2.gz WJHRANJDOAMLCE-AWEZNQCLSA-N 0 3 394.290 3.961 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cncc(Br)c1 ZINC000850427136 876910530 /nfs/dbraw/zinc/91/05/30/876910530.db2.gz NLHWRIUVUIIJQF-CQSZACIVSA-N 0 3 376.298 3.532 20 10 GHCDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787995657 877763570 /nfs/dbraw/zinc/76/35/70/877763570.db2.gz PBQZAQVZGOPXEF-MOPGFXCFSA-N 0 3 379.464 3.545 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1[O-] ZINC000179880191 878160461 /nfs/dbraw/zinc/16/04/61/878160461.db2.gz YXLWJCXVGTZZGR-CXAGYDPISA-N 0 3 376.403 3.840 20 10 GHCDHN Cc1cc(C(=O)Nc2nn(C)c(C)c2CN)c(C)n1-c1ccc(C(C)C)cc1 ZINC000852898899 878652118 /nfs/dbraw/zinc/65/21/18/878652118.db2.gz AFQGUMFROQOYNI-UHFFFAOYSA-N 0 3 379.508 3.970 20 10 GHCDHN CN(C)c1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1F ZINC000789888851 879316547 /nfs/dbraw/zinc/31/65/47/879316547.db2.gz CMXKAMBUYMZENL-HXUWFJFHSA-N 0 3 398.526 3.670 20 10 GHCDHN COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000790500761 879775171 /nfs/dbraw/zinc/77/51/71/879775171.db2.gz AGZFVNIQLZDOMO-SFHVURJKSA-N 0 3 398.551 3.596 20 10 GHCDHN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000792185623 880973121 /nfs/dbraw/zinc/97/31/21/880973121.db2.gz AUGJGLDOSJWEHO-QHCPKHFHSA-N 0 3 396.510 3.844 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000858493383 883146317 /nfs/dbraw/zinc/14/63/17/883146317.db2.gz SLUWGWDJAFNRAF-HIFRSBDPSA-N 0 3 394.487 3.743 20 10 GHCDHN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000897984615 884544628 /nfs/dbraw/zinc/54/46/28/884544628.db2.gz BROKPEMLHDZKEP-SFHVURJKSA-N 0 3 377.444 3.667 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000807402631 885430026 /nfs/dbraw/zinc/43/00/26/885430026.db2.gz JGQWWKIUCXZLAC-GCJKJVERSA-N 0 3 382.552 3.976 20 10 GHCDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccco1 ZINC000807679650 885627802 /nfs/dbraw/zinc/62/78/02/885627802.db2.gz IIJMHGKPMIRQFU-DNVCBOLYSA-N 0 3 380.492 3.941 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(C)n1-c1ccccn1 ZINC000807738562 885670923 /nfs/dbraw/zinc/67/09/23/885670923.db2.gz FJEFSYJXFKOLFM-UGKGYDQZSA-N 0 3 388.515 3.882 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c1[O-] ZINC000808693154 886647325 /nfs/dbraw/zinc/64/73/25/886647325.db2.gz XUCOOZZAXNHULI-UWJYYQICSA-N 0 3 387.955 3.993 20 10 GHCDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1O ZINC000809750197 887786999 /nfs/dbraw/zinc/78/69/99/887786999.db2.gz VYBSMIUZRHJAJO-GOSISDBHSA-N 0 3 393.483 3.714 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c([O-])c1 ZINC000809751480 887788633 /nfs/dbraw/zinc/78/86/33/887788633.db2.gz GJVRRHJNTSCSDS-GOSISDBHSA-N 0 3 378.476 3.956 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c([O-])c1 ZINC000809751480 887788637 /nfs/dbraw/zinc/78/86/37/887788637.db2.gz GJVRRHJNTSCSDS-GOSISDBHSA-N 0 3 378.476 3.956 20 10 GHCDHN CC[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(C)cc1[O-] ZINC000794798816 888067993 /nfs/dbraw/zinc/06/79/93/888067993.db2.gz YUHZSFAIPRHXMB-NRFANRHFSA-N 0 3 382.504 3.641 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794791899 888074224 /nfs/dbraw/zinc/07/42/24/888074224.db2.gz JZCZURPYGIKWQQ-NRFANRHFSA-N 0 3 381.520 3.844 20 10 GHCDHN CCC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(C)ccn1 ZINC000866239193 888793176 /nfs/dbraw/zinc/79/31/76/888793176.db2.gz SNFMSMTYVBIDRS-TZIWHRDSSA-N 0 3 380.536 3.723 20 10 GHCDHN CC(=O)Nc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1F ZINC000122353301 889662328 /nfs/dbraw/zinc/66/23/28/889662328.db2.gz SBSYLFNHUYWPNG-UHFFFAOYSA-N 0 3 398.482 3.567 20 10 GHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1Cn1cccn1 ZINC000122470503 889815193 /nfs/dbraw/zinc/81/51/93/889815193.db2.gz GIRIZTAWRXCOIB-MRXNPFEDSA-N 0 3 382.483 3.996 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000813792646 891981982 /nfs/dbraw/zinc/98/19/82/891981982.db2.gz UCBBTLRUOYRZOC-MRXNPFEDSA-N 0 3 384.245 3.516 20 10 GHCDHN CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCC1 ZINC001137082255 892300219 /nfs/dbraw/zinc/30/02/19/892300219.db2.gz UGDOSTQBZJCQPH-INIZCTEOSA-N 0 3 395.494 3.638 20 10 GHCDHN O=C(NCCCSc1nccs1)N1CCCN(Cc2ccccc2)CC1 ZINC000154599488 892973755 /nfs/dbraw/zinc/97/37/55/892973755.db2.gz XGSMCIUTMJELJE-UHFFFAOYSA-N 0 3 390.578 3.543 20 10 GHCDHN CN(C)c1ccc([C@H](CNCc2ccc(F)nc2)NC(=O)OC(C)(C)C)cc1 ZINC000778179293 893121767 /nfs/dbraw/zinc/12/17/67/893121767.db2.gz UKWUVPIGPZRHPQ-SFHVURJKSA-N 0 3 388.487 3.642 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000125960149 893172964 /nfs/dbraw/zinc/17/29/64/893172964.db2.gz JICFQJCDQYLLJU-JOCHJYFZSA-N 0 3 390.531 3.527 20 10 GHCDHN O=C(c1ccccc1)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876558114 893228665 /nfs/dbraw/zinc/22/86/65/893228665.db2.gz LOKZATXBODUYTR-UHFFFAOYSA-N 0 3 378.516 3.743 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2c[nH]c3cc(Cl)ccc23)N(C)C)cc1 ZINC001134883065 893506866 /nfs/dbraw/zinc/50/68/66/893506866.db2.gz YHYUVXRDYVTYNP-NRFANRHFSA-N 0 3 398.938 3.849 20 10 GHCDHN COc1ccccc1C[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134883203 893507529 /nfs/dbraw/zinc/50/75/29/893507529.db2.gz ZEFZFGFBFGESRO-PGRDOPGGSA-N 0 3 397.563 3.749 20 10 GHCDHN OCC1([C@H](NCc2ccc(N3CCC(O)CC3)cc2)c2cccs2)CCC1 ZINC000877576174 893699814 /nfs/dbraw/zinc/69/98/14/893699814.db2.gz JATNYNHXDWYZKQ-OAQYLSRUSA-N 0 3 386.561 3.703 20 10 GHCDHN Cn1nccc1-c1ccccc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000816480977 894850626 /nfs/dbraw/zinc/85/06/26/894850626.db2.gz DDTPYVVDJUZAIV-FQEVSTJZSA-N 0 3 377.488 3.974 20 10 GHCDHN Cn1nccc1-c1ccccc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000816480977 894850634 /nfs/dbraw/zinc/85/06/34/894850634.db2.gz DDTPYVVDJUZAIV-FQEVSTJZSA-N 0 3 377.488 3.974 20 10 GHCDHN COc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[O-])c(OC)cc1Cl ZINC000879650497 895202447 /nfs/dbraw/zinc/20/24/47/895202447.db2.gz DLJCIAYODUEUMC-LBPRGKRZSA-N 0 3 378.856 3.742 20 10 GHCDHN CN(C)CCN(Cc1ccccc1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817993520 895995314 /nfs/dbraw/zinc/99/53/14/895995314.db2.gz LISQYORXAFQYCV-UHFFFAOYSA-N 0 3 394.544 3.520 20 10 GHCDHN CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)C[C@H]2C1 ZINC000818332358 896116627 /nfs/dbraw/zinc/11/66/27/896116627.db2.gz MCGIIUCSMPKABK-DGWIIEBVSA-N 0 3 378.944 3.803 20 10 GHCDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289226116 914096463 /nfs/dbraw/zinc/09/64/63/914096463.db2.gz LPYKMPAIUUCUQK-LJQANCHMSA-N 0 3 388.458 3.712 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H](C)Cc2c(OC)cc(OC)cc2OC)c([O-])c1 ZINC000824733324 899791534 /nfs/dbraw/zinc/79/15/34/899791534.db2.gz OCLNNAZUIWVXOG-CQSZACIVSA-N 0 3 375.465 3.538 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000824771158 899796712 /nfs/dbraw/zinc/79/67/12/899796712.db2.gz PSVJLPMPZPPQDX-MRXNPFEDSA-N 0 3 386.459 3.731 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000824771158 899796724 /nfs/dbraw/zinc/79/67/24/899796724.db2.gz PSVJLPMPZPPQDX-MRXNPFEDSA-N 0 3 386.459 3.731 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000824955754 899905825 /nfs/dbraw/zinc/90/58/25/899905825.db2.gz ZCWAOWJCSZQKAA-AWEZNQCLSA-N 0 3 385.414 3.647 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)NCc3cc(Cl)ccc3O)c2)CC1 ZINC000844630585 901090426 /nfs/dbraw/zinc/09/04/26/901090426.db2.gz IKOAZYKAXDGLSE-UHFFFAOYSA-N 0 3 388.899 3.509 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)s1 ZINC000886747341 901252695 /nfs/dbraw/zinc/25/26/95/901252695.db2.gz RBPCDOJFVPIOEJ-CYBMUJFWSA-N 0 3 377.941 3.954 20 10 GHCDHN COc1cccc(CNCc2cnn(-c3ccc(Br)cc3)c2)c1O ZINC000775030818 914627059 /nfs/dbraw/zinc/62/70/59/914627059.db2.gz UNIXSHLFWVMUBT-UHFFFAOYSA-N 0 3 388.265 3.639 20 10 GHCDHN O=C(NCCN1CCCC1)c1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000845992584 902571514 /nfs/dbraw/zinc/57/15/14/902571514.db2.gz OLJRYEQYSRAOAI-UHFFFAOYSA-N 0 3 389.499 3.983 20 10 GHCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000846152452 902722466 /nfs/dbraw/zinc/72/24/66/902722466.db2.gz UBOYEEDLOFRYSN-WBMJQRKESA-N 0 3 394.393 3.876 20 10 GHCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779052089 903598498 /nfs/dbraw/zinc/59/84/98/903598498.db2.gz MMTNUXYTYWFLOJ-MCIONIFRSA-N 0 3 399.329 3.981 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1N(C)C ZINC000151543127 904153559 /nfs/dbraw/zinc/15/35/59/904153559.db2.gz CEGBCHBHNWJJJB-HNNXBMFYSA-N 0 3 389.490 3.843 20 10 GHCDHN Cc1n[nH]cc1[C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779165336 905089516 /nfs/dbraw/zinc/08/95/16/905089516.db2.gz PMYOQSXJIYWVEG-KUHUBIRLSA-N 0 3 387.528 3.701 20 10 GHCDHN CCCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccccc1O ZINC000801597122 921175789 /nfs/dbraw/zinc/17/57/89/921175789.db2.gz CBMIKSPRKCZWDK-UHFFFAOYSA-N 0 3 383.536 3.719 20 10 GHCDHN CCCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000182975290 907305327 /nfs/dbraw/zinc/30/53/27/907305327.db2.gz UNXYRBRKEAOSFX-UHFFFAOYSA-N 0 3 382.504 3.709 20 10 GHCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859479 909784046 /nfs/dbraw/zinc/78/40/46/909784046.db2.gz PNTRXAAZTDDZHD-GJZGRUSLSA-N 0 3 397.357 3.980 20 10 GHCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859479 909784052 /nfs/dbraw/zinc/78/40/52/909784052.db2.gz PNTRXAAZTDDZHD-GJZGRUSLSA-N 0 3 397.357 3.980 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000245959644 910024861 /nfs/dbraw/zinc/02/48/61/910024861.db2.gz XXQNWLRAEVFGPD-BVYCBKJFSA-N 0 3 385.504 3.512 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000245959644 910024871 /nfs/dbraw/zinc/02/48/71/910024871.db2.gz XXQNWLRAEVFGPD-BVYCBKJFSA-N 0 3 385.504 3.512 20 10 GHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000268823021 910034841 /nfs/dbraw/zinc/03/48/41/910034841.db2.gz IGJWDRMQYSFGMJ-QFIPXVFZSA-N 0 3 384.495 3.963 20 10 GHCDHN Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001181861556 911044490 /nfs/dbraw/zinc/04/44/90/911044490.db2.gz VUASZCJVFUCWQQ-QUCCMNQESA-N 0 3 390.524 3.595 20 10 GHCDHN COc1cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC001182086515 911155670 /nfs/dbraw/zinc/15/56/70/911155670.db2.gz JJKMJMQCIKOYFK-NFBKMPQASA-N 0 3 387.495 3.998 20 10 GHCDHN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483809 911789247 /nfs/dbraw/zinc/78/92/47/911789247.db2.gz LZTNLHZWRBLBEU-IKGGRYGDSA-N 0 3 399.535 3.686 20 10 GHCDHN Cc1cccc(Cl)c1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258665 916689790 /nfs/dbraw/zinc/68/97/90/916689790.db2.gz INSWNXZANSTCBB-INIZCTEOSA-N 0 3 387.911 3.774 20 10 GHCDHN Cc1sc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1C ZINC000775258778 916690892 /nfs/dbraw/zinc/69/08/92/916690892.db2.gz BDTIEBANOQMEFB-INIZCTEOSA-N 0 3 387.549 3.799 20 10 GHCDHN CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000775258174 916694359 /nfs/dbraw/zinc/69/43/59/916694359.db2.gz SFDSRTHFJZVNKG-HTAPYJJXSA-N 0 3 397.519 3.600 20 10 GHCDHN C[C@@H](NCC(=O)NCCCC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775259711 916697351 /nfs/dbraw/zinc/69/73/51/916697351.db2.gz XPDPUKOGWCLQAH-LJQANCHMSA-N 0 3 387.568 3.651 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000294656822 916915506 /nfs/dbraw/zinc/91/55/06/916915506.db2.gz BWWMZEXBXDXGKS-UHFFFAOYSA-N 0 3 383.561 3.971 20 10 GHCDHN CCOC(=O)C[C@](C)([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000775374980 917287691 /nfs/dbraw/zinc/28/76/91/917287691.db2.gz PBMNYLKREBWSIR-KRWDZBQOSA-N 0 3 388.302 3.621 20 10 GHCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)cc(OC)c2[O-])cc1 ZINC000796450864 917391807 /nfs/dbraw/zinc/39/18/07/917391807.db2.gz MBFNQBYTJXJNIZ-INIZCTEOSA-N 0 3 380.282 3.549 20 10 GHCDHN Cc1ccc(C[C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)cc1 ZINC001190683742 917512810 /nfs/dbraw/zinc/51/28/10/917512810.db2.gz ZPQSDWCCCDPTFX-JOCHJYFZSA-N 0 3 379.548 3.632 20 10 GHCDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001191214017 917828521 /nfs/dbraw/zinc/82/85/21/917828521.db2.gz LNHPLJKTUHRUMH-DHIUTWEWSA-N 0 3 379.548 3.945 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@](C)(CCc3ccccc3)C2)cc1 ZINC001191443658 918004677 /nfs/dbraw/zinc/00/46/77/918004677.db2.gz FADXEZSOVALSIP-DEOSSOPVSA-N 0 3 379.548 3.714 20 10 GHCDHN O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297216017 919155280 /nfs/dbraw/zinc/15/52/80/919155280.db2.gz GZDRMTDHMIMRIZ-GOSISDBHSA-N 0 3 391.471 3.538 20 10 GHCDHN COc1cc(OC)cc(C2(F)CC[NH+](Cc3c([O-])cccc3OC)CC2)c1 ZINC000802659861 922319485 /nfs/dbraw/zinc/31/94/85/922319485.db2.gz OGOUYOUSTSXHGL-UHFFFAOYSA-N 0 3 375.440 3.879 20 10 GHCDHN C[C@@H](NCCOC1CCSCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000903444109 923031073 /nfs/dbraw/zinc/03/10/73/923031073.db2.gz MUXWLZXYLOHJFP-OAHLLOKOSA-N 0 3 384.973 3.739 20 10 GHCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)[C@H]1CCN(C2CCOCC2)C1=O ZINC000370500334 924130533 /nfs/dbraw/zinc/13/05/33/924130533.db2.gz QJDKNCNAPMVYKU-GCJKJVERSA-N 0 3 394.515 3.735 20 10 GHCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1(C)C ZINC000827821340 926055624 /nfs/dbraw/zinc/05/56/24/926055624.db2.gz WCEVWHZRNUWUMG-NFBKMPQASA-N 0 3 387.568 3.604 20 10 GHCDHN Cc1nsc(N2CCCN(Cc3ccc(N4CCCCC4)c(C)c3)CC2)n1 ZINC000827920562 926285947 /nfs/dbraw/zinc/28/59/47/926285947.db2.gz ZNURRSRHUFFQFI-UHFFFAOYSA-N 0 3 385.581 3.858 20 10 GHCDHN CCOc1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c([O-])c1 ZINC000725849327 926466270 /nfs/dbraw/zinc/46/62/70/926466270.db2.gz DXHVCOHBYJAEDC-UHFFFAOYSA-N 0 3 382.504 3.504 20 10 GHCDHN COc1cccc(O)c1CNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000725850002 926467571 /nfs/dbraw/zinc/46/75/71/926467571.db2.gz BZILAHWMYHCIRM-UHFFFAOYSA-N 0 3 386.455 3.938 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000725850002 926467577 /nfs/dbraw/zinc/46/75/77/926467577.db2.gz BZILAHWMYHCIRM-UHFFFAOYSA-N 0 3 386.455 3.938 20 10 GHCDHN CCOc1cccc(CNCC(=O)Nc2cc(Br)ccc2C)c1O ZINC000725850754 926468309 /nfs/dbraw/zinc/46/83/09/926468309.db2.gz GIOLLWUBBFOLLG-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800278 929804753 /nfs/dbraw/zinc/80/47/53/929804753.db2.gz YQENKOAWAZAGAM-VGOFRKELSA-N 0 3 396.535 3.540 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(C)(C)O)cc1 ZINC000924758863 931526831 /nfs/dbraw/zinc/52/68/31/931526831.db2.gz CMNLMFFECOIHPZ-MRXNPFEDSA-N 0 3 386.511 3.865 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccnn3C3CCC3)cc2F)CC1 ZINC000924995983 931606148 /nfs/dbraw/zinc/60/61/48/931606148.db2.gz LOJUGMWWZITHHB-KRWDZBQOSA-N 0 3 385.531 3.740 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(C(F)(F)F)c3)C1)[C@H](O)CO2 ZINC000784027906 931760480 /nfs/dbraw/zinc/76/04/80/931760480.db2.gz VTDZPBORECBZQX-FZKQIMNGSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(C(F)(F)F)c3)C1)[C@H](O)CO2 ZINC000784027906 931760483 /nfs/dbraw/zinc/76/04/83/931760483.db2.gz VTDZPBORECBZQX-FZKQIMNGSA-N 0 3 379.378 3.826 20 10 GHCDHN CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)c([O-])c1 ZINC000798498728 932673809 /nfs/dbraw/zinc/67/38/09/932673809.db2.gz GPKNQWCFTKCTSZ-UHFFFAOYSA-N 0 3 376.884 3.571 20 10 GHCDHN COc1cc(Cl)cc(CNCc2cc(Cl)ccc2N2CCOCC2)c1O ZINC000798955612 932837771 /nfs/dbraw/zinc/83/77/71/932837771.db2.gz SIMDFINTIQMQAI-UHFFFAOYSA-N 0 3 397.302 3.834 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)c1[O-] ZINC000798955612 932837775 /nfs/dbraw/zinc/83/77/75/932837775.db2.gz SIMDFINTIQMQAI-UHFFFAOYSA-N 0 3 397.302 3.834 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CN[C@@H](Cc3ccccc3)C(N)=O)cc2Cl)C1 ZINC000799981020 933200202 /nfs/dbraw/zinc/20/02/02/933200202.db2.gz TYGOXLAPYPAFOR-JXFKEZNVSA-N 0 3 385.939 3.763 20 10 GHCDHN COC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cccc(Cl)c1 ZINC001117597479 933961557 /nfs/dbraw/zinc/96/15/57/933961557.db2.gz JYWJVLHYCWSZSK-FQEVSTJZSA-N 0 3 391.918 3.708 20 10 GHCDHN COC1CCN(c2ccc(CNC3(c4ccc5c(c4)OCO5)CC3)cc2)CC1 ZINC000828703359 935692413 /nfs/dbraw/zinc/69/24/13/935692413.db2.gz IRKMRDNTIDISIM-UHFFFAOYSA-N 0 3 380.488 3.809 20 10 GHCDHN CN(C)c1ccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000828817712 935719320 /nfs/dbraw/zinc/71/93/20/935719320.db2.gz SWKWUWZWIKGPTN-MEMLXQNLSA-N 0 3 383.492 3.967 20 10 GHCDHN O=C(c1cc([O-])cs1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000829371156 935802412 /nfs/dbraw/zinc/80/24/12/935802412.db2.gz UYHKXSOQTWRLCP-OAHLLOKOSA-N 0 3 398.450 3.980 20 10 GHCDHN O=C(c1cc([O-])cs1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000829371156 935802416 /nfs/dbraw/zinc/80/24/16/935802416.db2.gz UYHKXSOQTWRLCP-OAHLLOKOSA-N 0 3 398.450 3.980 20 10 GHCDHN O=C(C1=CC(=O)CS1)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000829371156 935802417 /nfs/dbraw/zinc/80/24/17/935802417.db2.gz UYHKXSOQTWRLCP-OAHLLOKOSA-N 0 3 398.450 3.980 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c2ccccc21 ZINC001204240600 1032685326 /nfs/dbraw/zinc/68/53/26/1032685326.db2.gz ZQPVTKVSZCOKDB-LJQANCHMSA-N 0 3 380.536 3.676 20 10 GHCDHN COc1cc(Br)c(CN[C@@H]2CCc3cccc(O)c32)cc1OC ZINC000834640249 1021338347 /nfs/dbraw/zinc/33/83/47/1021338347.db2.gz JMBLWGDXHVJQSL-CQSZACIVSA-N 0 3 378.266 3.949 20 10 GHCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1C(F)(F)F ZINC000834769713 1021455385 /nfs/dbraw/zinc/45/53/85/1021455385.db2.gz QDGCAWSULNTVPV-CABCVRRESA-N 0 3 376.378 3.793 20 10 GHCDHN C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000834827998 1021524113 /nfs/dbraw/zinc/52/41/13/1021524113.db2.gz NTGBZXNRXJRFBW-HNAYVOBHSA-N 0 3 392.902 3.570 20 10 GHCDHN CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(Cl)cc3[O-])CC[C@@H]21 ZINC001140467140 1021763356 /nfs/dbraw/zinc/76/33/56/1021763356.db2.gz MTEWMNIARSRENM-HOJAQTOUSA-N 0 3 388.943 3.616 20 10 GHCDHN CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(Cl)cc3[O-])CC[C@@H]21 ZINC001140467140 1021763374 /nfs/dbraw/zinc/76/33/74/1021763374.db2.gz MTEWMNIARSRENM-HOJAQTOUSA-N 0 3 388.943 3.616 20 10 GHCDHN CN(C)c1ccc(/C=C\CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000835035964 1021791839 /nfs/dbraw/zinc/79/18/39/1021791839.db2.gz IMKGVTSGSJZAJP-FDQBOKQBSA-N 0 3 379.504 3.673 20 10 GHCDHN CN(C)c1ccc(/C=C/CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000835049830 1021812309 /nfs/dbraw/zinc/81/23/09/1021812309.db2.gz UJKUMNZGJMGLKA-SNAWJCMRSA-N 0 3 378.925 3.613 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725846537 1022386412 /nfs/dbraw/zinc/38/64/12/1022386412.db2.gz LUCXYJQCYCHLGV-INIZCTEOSA-N 0 3 396.512 3.818 20 10 GHCDHN c1nc2cc[nH]cc-2c1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001140806737 1022581344 /nfs/dbraw/zinc/58/13/44/1022581344.db2.gz PPORRTLQGBXUEI-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN c1[nH]c2ccncc2c1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001140806737 1022581348 /nfs/dbraw/zinc/58/13/48/1022581348.db2.gz PPORRTLQGBXUEI-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN COc1cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000754722836 1022858950 /nfs/dbraw/zinc/85/89/50/1022858950.db2.gz DJNFOLVKZFUPLU-UHFFFAOYSA-N 0 3 382.504 3.962 20 10 GHCDHN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c([O-])c1 ZINC001140950085 1022971553 /nfs/dbraw/zinc/97/15/53/1022971553.db2.gz MFIDVDDMOSZFEF-FQEVSTJZSA-N 0 3 398.478 3.707 20 10 GHCDHN Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c([O-])c1 ZINC001140950085 1022971555 /nfs/dbraw/zinc/97/15/55/1022971555.db2.gz MFIDVDDMOSZFEF-FQEVSTJZSA-N 0 3 398.478 3.707 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756455325 1023660769 /nfs/dbraw/zinc/66/07/69/1023660769.db2.gz JQCATXMVADJRMM-LJHODMEESA-N 0 3 398.478 3.778 20 10 GHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000756537605 1023704093 /nfs/dbraw/zinc/70/40/93/1023704093.db2.gz YJVXGOSDCVEHMA-XNJGSVPQSA-N 0 3 392.496 3.681 20 10 GHCDHN COc1cc2c(cc1OC)CN(Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138336989 1024697931 /nfs/dbraw/zinc/69/79/31/1024697931.db2.gz INEFKPQCMMLLLU-UHFFFAOYSA-N 0 3 394.515 3.667 20 10 GHCDHN CN1CCCc2cc(CN3CCC4(CC3)Cc3ccccc3CNC4=O)ccc21 ZINC001138356738 1024720204 /nfs/dbraw/zinc/72/02/04/1024720204.db2.gz MUVVLCMMDLOBHH-UHFFFAOYSA-N 0 3 389.543 3.524 20 10 GHCDHN CN1CCCc2cc(CN3CCC(N4Cc5ccccc5C4=O)CC3)ccc21 ZINC001138359651 1024723963 /nfs/dbraw/zinc/72/39/63/1024723963.db2.gz XOFKDUHFJMMRSZ-UHFFFAOYSA-N 0 3 375.516 3.689 20 10 GHCDHN c1ccc2c(c1)CCC[C@H]2N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499609 1024933171 /nfs/dbraw/zinc/93/31/71/1024933171.db2.gz VNXTXTHNIVCETA-RUZDIDTESA-N 0 3 391.559 3.718 20 10 GHCDHN Clc1ccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000839192097 1025711595 /nfs/dbraw/zinc/71/15/95/1025711595.db2.gz GUBAXWFRLHLCTO-UHFFFAOYSA-N 0 3 387.911 3.615 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCCC2)nc1 ZINC001139343796 1026207496 /nfs/dbraw/zinc/20/74/96/1026207496.db2.gz DMAZWNFLPZNTPP-UHFFFAOYSA-N 0 3 380.536 3.541 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062679 1026842664 /nfs/dbraw/zinc/84/26/64/1026842664.db2.gz DEXPEITUCONRQC-FXAWDEMLSA-N 0 3 382.451 3.702 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062679 1026842673 /nfs/dbraw/zinc/84/26/73/1026842673.db2.gz DEXPEITUCONRQC-FXAWDEMLSA-N 0 3 382.451 3.702 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001140101558 1026880488 /nfs/dbraw/zinc/88/04/88/1026880488.db2.gz XUWOGYDXVWEUIY-LPHOPBHVSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001140101558 1026880509 /nfs/dbraw/zinc/88/05/09/1026880509.db2.gz XUWOGYDXVWEUIY-LPHOPBHVSA-N 0 3 387.321 3.861 20 10 GHCDHN Cc1ccc(C)c(CN2CCCn3cnc(COCc4ccco4)c3C2)c1O ZINC001140180630 1026953600 /nfs/dbraw/zinc/95/36/00/1026953600.db2.gz KGMQLIQXMOGZRQ-UHFFFAOYSA-N 0 3 381.476 3.921 20 10 GHCDHN Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2c(C)ccc(C)c2O)n1 ZINC001140181254 1026954533 /nfs/dbraw/zinc/95/45/33/1026954533.db2.gz RQPFSCSDIWCYFO-QZNHQXDQSA-N 0 3 382.504 3.661 20 10 GHCDHN Cn1ncc2c1CCC[N@H+](Cc1c([O-])ccc3cc(Br)ccc31)C2 ZINC000840175638 1027309971 /nfs/dbraw/zinc/30/99/71/1027309971.db2.gz LXGQMPJKHSMBSQ-UHFFFAOYSA-N 0 3 386.293 3.990 20 10 GHCDHN Cn1ncc2c1CCC[N@@H+](Cc1c([O-])ccc3cc(Br)ccc31)C2 ZINC000840175638 1027309975 /nfs/dbraw/zinc/30/99/75/1027309975.db2.gz LXGQMPJKHSMBSQ-UHFFFAOYSA-N 0 3 386.293 3.990 20 10 GHCDHN CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1O ZINC001203614139 1027478285 /nfs/dbraw/zinc/47/82/85/1027478285.db2.gz QOAYWSCUZQZPLM-WBVHZDCISA-N 0 3 376.497 3.622 20 10 GHCDHN CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203635173 1027492213 /nfs/dbraw/zinc/49/22/13/1027492213.db2.gz MWALWYPUVVLGKM-UHFFFAOYSA-N 0 3 398.503 3.584 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2n(n1)CCC2 ZINC000840729751 1027771543 /nfs/dbraw/zinc/77/15/43/1027771543.db2.gz TUCLQFURYRWERQ-HUUCEWRRSA-N 0 3 376.451 3.750 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000840930772 1027964649 /nfs/dbraw/zinc/96/46/49/1027964649.db2.gz OOIBIOTVNOFUDG-RTBURBONSA-N 0 3 395.547 3.600 20 10 GHCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840949789 1027979761 /nfs/dbraw/zinc/97/97/61/1027979761.db2.gz CGXYZTBMDDGCKO-UHFFFAOYSA-N 0 3 386.565 3.531 20 10 GHCDHN CN(Cc1cccc(C(C)(C)C)c1O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001143104627 1029842781 /nfs/dbraw/zinc/84/27/81/1029842781.db2.gz WFOAYEQHAKYVEH-KRWDZBQOSA-N 0 3 392.540 3.757 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001222643793 1030255108 /nfs/dbraw/zinc/25/51/08/1030255108.db2.gz VFHKQWWYFGBWNG-AWEZNQCLSA-N 0 3 393.247 3.661 20 10 GHCDHN Cc1ccccc1/N=N/c1ccc(NC(=O)CN2CCCC[C@H](N)C2=O)c(C)c1 ZINC001219206230 1031305471 /nfs/dbraw/zinc/30/54/71/1031305471.db2.gz VLNVOYGBQFXCNI-RRRUWBTGSA-N 0 3 393.491 3.997 20 10 GHCDHN Nc1ccc(N(C(=O)[C@H]2CNC[C@H](F)C2)c2ccc3ccccc3c2N)cc1 ZINC001219471897 1031443943 /nfs/dbraw/zinc/44/39/43/1031443943.db2.gz WXIDKVSWYHTJIB-HZPDHXFCSA-N 0 3 378.451 3.617 20 10 GHCDHN C[C@@H]1[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1Cc1ccccc1 ZINC001229587234 1033574728 /nfs/dbraw/zinc/57/47/28/1033574728.db2.gz AESLGLMLKSLKPK-VGOFRKELSA-N 0 3 393.531 3.733 20 10 GHCDHN CC(C)c1scnc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001205876419 1033615646 /nfs/dbraw/zinc/61/56/46/1033615646.db2.gz BLECKISNJMLUCQ-MRXNPFEDSA-N 0 3 375.542 3.757 20 10 GHCDHN COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001206856621 1034036758 /nfs/dbraw/zinc/03/67/58/1034036758.db2.gz PWHANVBPPGTOGG-IBGZPJMESA-N 0 3 394.309 3.555 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](C(F)F)C2CCCCC2)N(C)C)cc1 ZINC001207756030 1034559068 /nfs/dbraw/zinc/55/90/68/1034559068.db2.gz OAURKCYDOGVUQM-OALUTQOASA-N 0 3 396.526 3.869 20 10 GHCDHN CCNC(=O)OC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231470173 1034615933 /nfs/dbraw/zinc/61/59/33/1034615933.db2.gz QDLYLKXFXNKUFL-UHFFFAOYSA-N 0 3 384.476 3.682 20 10 GHCDHN Cc1cc(Br)c([O-])c(CN2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001207844918 1034619934 /nfs/dbraw/zinc/61/99/34/1034619934.db2.gz STALWARNGMTZEH-KDURUIRLSA-N 0 3 379.342 3.771 20 10 GHCDHN Cc1cc(Br)c([O-])c(CN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001207844918 1034619938 /nfs/dbraw/zinc/61/99/38/1034619938.db2.gz STALWARNGMTZEH-KDURUIRLSA-N 0 3 379.342 3.771 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001231590067 1034744089 /nfs/dbraw/zinc/74/40/89/1034744089.db2.gz HYKKUJJPKCXSOF-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN C[N@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001209341288 1035245468 /nfs/dbraw/zinc/24/54/68/1035245468.db2.gz BAQMIBTXWGNUIC-UHFFFAOYSA-N 0 3 380.485 3.996 20 10 GHCDHN C[N@@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001209341288 1035245473 /nfs/dbraw/zinc/24/54/73/1035245473.db2.gz BAQMIBTXWGNUIC-UHFFFAOYSA-N 0 3 380.485 3.996 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001461987544 1069930835 /nfs/dbraw/zinc/93/08/35/1069930835.db2.gz AOWNESZGIKGUMD-IPELMVKDSA-N 0 3 390.524 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001461987544 1069930838 /nfs/dbraw/zinc/93/08/38/1069930838.db2.gz AOWNESZGIKGUMD-IPELMVKDSA-N 0 3 390.524 3.834 20 10 GHCDHN C[NH+](C)CCN(Cc1cccc(F)c1)Cc1ccc(Br)cc1[O-] ZINC001462193860 1070070020 /nfs/dbraw/zinc/07/00/20/1070070020.db2.gz WQWRWQMTBJONQA-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@H]2CC(=O)OC(C)(C)C)c2ccccc2n1C ZINC001232403909 1038187412 /nfs/dbraw/zinc/18/74/12/1038187412.db2.gz FDLRDFIZGNTBHB-HNNXBMFYSA-N 0 3 386.492 3.661 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001251981065 1038791367 /nfs/dbraw/zinc/79/13/67/1038791367.db2.gz FZNRWILPUJXAJR-HXUWFJFHSA-N 0 3 396.579 3.765 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289048 1039070840 /nfs/dbraw/zinc/07/08/40/1039070840.db2.gz HXYUJKCXHQVZTE-XJKSGUPXSA-N 0 3 393.940 3.607 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289048 1039070862 /nfs/dbraw/zinc/07/08/62/1039070862.db2.gz HXYUJKCXHQVZTE-XJKSGUPXSA-N 0 3 393.940 3.607 20 10 GHCDHN COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233417186 1039275103 /nfs/dbraw/zinc/27/51/03/1039275103.db2.gz LJIABPMCCKPNQD-PXNSSMCTSA-N 0 3 398.469 3.591 20 10 GHCDHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233417186 1039275113 /nfs/dbraw/zinc/27/51/13/1039275113.db2.gz LJIABPMCCKPNQD-PXNSSMCTSA-N 0 3 398.469 3.591 20 10 GHCDHN O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233744979 1039584003 /nfs/dbraw/zinc/58/40/03/1039584003.db2.gz BFQXRGOTWOVZGI-IBGZPJMESA-N 0 3 398.425 3.515 20 10 GHCDHN O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233744979 1039584021 /nfs/dbraw/zinc/58/40/21/1039584021.db2.gz BFQXRGOTWOVZGI-IBGZPJMESA-N 0 3 398.425 3.515 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1C ZINC001233775868 1039605456 /nfs/dbraw/zinc/60/54/56/1039605456.db2.gz FHEIIBLGHWPRNL-STQMWFEESA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1C ZINC001233775868 1039605469 /nfs/dbraw/zinc/60/54/69/1039605469.db2.gz FHEIIBLGHWPRNL-STQMWFEESA-N 0 3 375.387 3.702 20 10 GHCDHN CCCCC[C@H](O)CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001253543516 1039699103 /nfs/dbraw/zinc/69/91/03/1039699103.db2.gz DZZPLDQHBRIROD-QFIPXVFZSA-N 0 3 383.536 3.724 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCN(C(C)C)C4=O)CC3)c2c1 ZINC001234569124 1040137479 /nfs/dbraw/zinc/13/74/79/1040137479.db2.gz JTIIPAWDQNOCGC-UHFFFAOYSA-N 0 3 382.504 3.777 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N4Cc5ccccc5C4=O)C3)c2c1 ZINC001234569911 1040138936 /nfs/dbraw/zinc/13/89/36/1040138936.db2.gz UHEZBGQXXLBAKM-SFHVURJKSA-N 0 3 388.467 3.784 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N4Cc5ccccc5C4=O)C3)c2c1 ZINC001234569911 1040138941 /nfs/dbraw/zinc/13/89/41/1040138941.db2.gz UHEZBGQXXLBAKM-SFHVURJKSA-N 0 3 388.467 3.784 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990424 1040485944 /nfs/dbraw/zinc/48/59/44/1040485944.db2.gz GXILNWHOKGKMKT-OALUTQOASA-N 0 3 398.503 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990424 1040485950 /nfs/dbraw/zinc/48/59/50/1040485950.db2.gz GXILNWHOKGKMKT-OALUTQOASA-N 0 3 398.503 3.519 20 10 GHCDHN O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccc(-c3ccccc3)c2[O-])N1Cc1cccnc1 ZINC001234997489 1040488582 /nfs/dbraw/zinc/48/85/82/1040488582.db2.gz AMWRAJXOSYBYEC-XZOQPEGZSA-N 0 3 399.494 3.830 20 10 GHCDHN O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(-c3ccccc3)c2[O-])N1Cc1cccnc1 ZINC001234997489 1040488592 /nfs/dbraw/zinc/48/85/92/1040488592.db2.gz AMWRAJXOSYBYEC-XZOQPEGZSA-N 0 3 399.494 3.830 20 10 GHCDHN O=C(c1cccnc1)N1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2C1 ZINC001234994658 1040489820 /nfs/dbraw/zinc/48/98/20/1040489820.db2.gz GBHBEZWNJBSKSM-VXKWHMMOSA-N 0 3 399.494 3.658 20 10 GHCDHN O=C1[C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2CN1c1cccnc1 ZINC001234995997 1040490613 /nfs/dbraw/zinc/49/06/13/1040490613.db2.gz SDCNCGKOIREHKJ-UGKGYDQZSA-N 0 3 385.467 3.549 20 10 GHCDHN O=C1[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2CN1c1cccnc1 ZINC001234995997 1040490622 /nfs/dbraw/zinc/49/06/22/1040490622.db2.gz SDCNCGKOIREHKJ-UGKGYDQZSA-N 0 3 385.467 3.549 20 10 GHCDHN COC(=O)c1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])n(C)c1C ZINC001462538791 1070340153 /nfs/dbraw/zinc/34/01/53/1070340153.db2.gz GEIPKTOASRYIDP-UHFFFAOYSA-N 0 3 394.471 3.695 20 10 GHCDHN C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])C1(C)CCNCC1 ZINC001236227335 1041632124 /nfs/dbraw/zinc/63/21/24/1041632124.db2.gz CFUUVQUVTYGUHT-UHFFFAOYSA-N 0 3 381.236 3.747 20 10 GHCDHN C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])C1(C)CCNCC1 ZINC001236227335 1041632127 /nfs/dbraw/zinc/63/21/27/1041632127.db2.gz CFUUVQUVTYGUHT-UHFFFAOYSA-N 0 3 381.236 3.747 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](c3ccccc3)C2)N(C)C)cc1 ZINC001256232801 1041667642 /nfs/dbraw/zinc/66/76/42/1041667642.db2.gz URFOBEYCASZPCE-RBBKRZOGSA-N 0 3 380.536 3.554 20 10 GHCDHN COc1cc([O-])c(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236394457 1041698091 /nfs/dbraw/zinc/69/80/91/1041698091.db2.gz YVUMEUQIEYFFTJ-QGZVFWFLSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1cc(CN2CCC(C)([NH+]3CCCC3)CC2)c([O-])cc1Br ZINC001236749207 1041870377 /nfs/dbraw/zinc/87/03/77/1041870377.db2.gz ACYJFPGIPGNOCY-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN CCc1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c(O)c1 ZINC001236787667 1041892923 /nfs/dbraw/zinc/89/29/23/1041892923.db2.gz MFHSXSNDSGAKMH-LADGPHEKSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)c([O-])c1 ZINC001236788637 1041893904 /nfs/dbraw/zinc/89/39/04/1041893904.db2.gz VVKDGYVYWBFSPE-UHFFFAOYSA-N 0 3 385.533 3.539 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001236788549 1041893924 /nfs/dbraw/zinc/89/39/24/1041893924.db2.gz LWNVLLPESSPADR-DNQXCXABSA-N 0 3 378.516 3.719 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001236788549 1041893932 /nfs/dbraw/zinc/89/39/32/1041893932.db2.gz LWNVLLPESSPADR-DNQXCXABSA-N 0 3 378.516 3.719 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236788381 1041894352 /nfs/dbraw/zinc/89/43/52/1041894352.db2.gz JUKAWOVYAROXDH-DEOSSOPVSA-N 0 3 376.500 3.855 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236788381 1041894360 /nfs/dbraw/zinc/89/43/60/1041894360.db2.gz JUKAWOVYAROXDH-DEOSSOPVSA-N 0 3 376.500 3.855 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236807326 1041908106 /nfs/dbraw/zinc/90/81/06/1041908106.db2.gz FVGYWRQBPXYWEE-JOCHJYFZSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236807326 1041908107 /nfs/dbraw/zinc/90/81/07/1041908107.db2.gz FVGYWRQBPXYWEE-JOCHJYFZSA-N 0 3 390.524 3.932 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CCCCCC3)cc2C1 ZINC001236844307 1041925377 /nfs/dbraw/zinc/92/53/77/1041925377.db2.gz YETLQMMSFNOHMV-UHFFFAOYSA-N 0 3 376.497 3.898 20 10 GHCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236940718 1041965400 /nfs/dbraw/zinc/96/54/00/1041965400.db2.gz SUKMZUVWFUYUNS-UHFFFAOYSA-N 0 3 396.554 3.810 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001237041812 1042001676 /nfs/dbraw/zinc/00/16/76/1042001676.db2.gz UYDWEHBVYUCECA-MQSCRBSSSA-N 0 3 398.503 3.525 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001237041812 1042001681 /nfs/dbraw/zinc/00/16/81/1042001681.db2.gz UYDWEHBVYUCECA-MQSCRBSSSA-N 0 3 398.503 3.525 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)c([O-])c1 ZINC001237049658 1042009284 /nfs/dbraw/zinc/00/92/84/1042009284.db2.gz ZRKQGIRQWQMDIY-UHFFFAOYSA-N 0 3 382.552 3.880 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001237049833 1042009537 /nfs/dbraw/zinc/00/95/37/1042009537.db2.gz LOLKAMMKUHQLPN-QAPCUYQASA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001237049833 1042009541 /nfs/dbraw/zinc/00/95/41/1042009541.db2.gz LOLKAMMKUHQLPN-QAPCUYQASA-N 0 3 376.497 3.622 20 10 GHCDHN COCCOc1cccc(N2CCN(Cc3ccc(C(C)C)cc3O)CC2)c1 ZINC001237054774 1042012218 /nfs/dbraw/zinc/01/22/18/1042012218.db2.gz GSIDSRDIFFLYQT-UHFFFAOYSA-N 0 3 384.520 3.863 20 10 GHCDHN CCc1noc(C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC2)n1 ZINC001237060616 1042015207 /nfs/dbraw/zinc/01/52/07/1042015207.db2.gz VWCXOXRZPMXDMP-UHFFFAOYSA-N 0 3 385.386 3.658 20 10 GHCDHN Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064275 1042017377 /nfs/dbraw/zinc/01/73/77/1042017377.db2.gz ZJDAVNRFFKWYND-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064275 1042017388 /nfs/dbraw/zinc/01/73/88/1042017388.db2.gz ZJDAVNRFFKWYND-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN CCOC(=O)c1coc(C2CC[NH+](Cc3c([O-])ccc(F)c3Cl)CC2)n1 ZINC001237128212 1042055150 /nfs/dbraw/zinc/05/51/50/1042055150.db2.gz MLXSNDQNKNLWFE-UHFFFAOYSA-N 0 3 382.819 3.729 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001237137142 1042059618 /nfs/dbraw/zinc/05/96/18/1042059618.db2.gz LUGLJGIPGHWZDV-QGZVFWFLSA-N 0 3 385.426 3.961 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001237216206 1042093494 /nfs/dbraw/zinc/09/34/94/1042093494.db2.gz QSLDEONTVWMCHF-JOCHJYFZSA-N 0 3 389.584 3.705 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001237217389 1042094653 /nfs/dbraw/zinc/09/46/53/1042094653.db2.gz XXBPZSUCFDKPJG-QFIPXVFZSA-N 0 3 376.541 3.790 20 10 GHCDHN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1c(C)cccc1O ZINC001237489690 1042232640 /nfs/dbraw/zinc/23/26/40/1042232640.db2.gz DCLUDHZDGRAVJP-LJQANCHMSA-N 0 3 399.487 3.770 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001237643493 1042301399 /nfs/dbraw/zinc/30/13/99/1042301399.db2.gz NXDWGLXAICATHD-QZNHQXDQSA-N 0 3 383.463 3.824 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001237643493 1042301404 /nfs/dbraw/zinc/30/14/04/1042301404.db2.gz NXDWGLXAICATHD-QZNHQXDQSA-N 0 3 383.463 3.824 20 10 GHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCN(CCc2ccccn2)CC1 ZINC001237645706 1042302107 /nfs/dbraw/zinc/30/21/07/1042302107.db2.gz JFCZSOZKWWTBRE-UHFFFAOYSA-N 0 3 391.490 3.954 20 10 GHCDHN CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237648721 1042303359 /nfs/dbraw/zinc/30/33/59/1042303359.db2.gz FSYDKDRELHPFQB-FQEVSTJZSA-N 0 3 385.483 3.870 20 10 GHCDHN CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237648721 1042303364 /nfs/dbraw/zinc/30/33/64/1042303364.db2.gz FSYDKDRELHPFQB-FQEVSTJZSA-N 0 3 385.483 3.870 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001237677755 1042318002 /nfs/dbraw/zinc/31/80/02/1042318002.db2.gz DBJTVNXBNWSNRG-CQSZACIVSA-N 0 3 399.329 3.904 20 10 GHCDHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001237677755 1042318007 /nfs/dbraw/zinc/31/80/07/1042318007.db2.gz DBJTVNXBNWSNRG-CQSZACIVSA-N 0 3 399.329 3.904 20 10 GHCDHN CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)c(C)cc1[O-])CC2 ZINC001237678019 1042319821 /nfs/dbraw/zinc/31/98/21/1042319821.db2.gz HFEFLXMDDHFJSG-UHFFFAOYSA-N 0 3 395.341 3.830 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1[O-] ZINC001237685252 1042325698 /nfs/dbraw/zinc/32/56/98/1042325698.db2.gz BQWPCQPXTQXGTP-WIYYLYMNSA-N 0 3 388.895 3.952 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1[O-] ZINC001237685252 1042325704 /nfs/dbraw/zinc/32/57/04/1042325704.db2.gz BQWPCQPXTQXGTP-WIYYLYMNSA-N 0 3 388.895 3.952 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)[C@@H]2CCCO[C@H]12 ZINC001237938459 1042429612 /nfs/dbraw/zinc/42/96/12/1042429612.db2.gz ZAYKQQGEZDLKFU-GGPKGHCWSA-N 0 3 394.874 3.642 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)c1[O-] ZINC001238060965 1042478986 /nfs/dbraw/zinc/47/89/86/1042478986.db2.gz LXDIVLJEUIXSGO-HXUWFJFHSA-N 0 3 382.479 3.820 20 10 GHCDHN Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2cc(F)cc(C)c2[O-])CC3)n1 ZINC001238062504 1042479278 /nfs/dbraw/zinc/47/92/78/1042479278.db2.gz TWCWIVXSGNVCAK-UHFFFAOYSA-N 0 3 397.494 3.700 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccccc1CN(C)C ZINC001292966153 1043968150 /nfs/dbraw/zinc/96/81/50/1043968150.db2.gz JIKJFGBTYKDSET-UHFFFAOYSA-N 0 3 389.499 3.898 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1 ZINC001463282649 1070961323 /nfs/dbraw/zinc/96/13/23/1070961323.db2.gz BEBPMEUPFBPKMC-GOSISDBHSA-N 0 3 381.854 3.717 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000733330713 1049372480 /nfs/dbraw/zinc/37/24/80/1049372480.db2.gz JURHYSAWKFZHLG-HNNXBMFYSA-N 0 3 397.479 3.927 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2csc(-c3ccco3)n2)N(C)C)cc1 ZINC001289599904 1049556470 /nfs/dbraw/zinc/55/64/70/1049556470.db2.gz LUXHBTKZQGEWOP-QGZVFWFLSA-N 0 3 384.505 3.502 20 10 GHCDHN COc1ccc(C[C@H](C)CN2CCN(c3ccc(OC)c(F)c3)CC2)cc1F ZINC001308580046 1050017610 /nfs/dbraw/zinc/01/76/10/1050017610.db2.gz KBXCFFGRUOBVEC-INIZCTEOSA-N 0 3 390.474 3.983 20 10 GHCDHN COC(=O)c1cccc(NC2CC[NH+](Cc3c(C)cc(OC)cc3[O-])CC2)c1 ZINC001308743832 1050078339 /nfs/dbraw/zinc/07/83/39/1050078339.db2.gz MXMZSDOGQFWMID-UHFFFAOYSA-N 0 3 384.476 3.572 20 10 GHCDHN COc1cc(C)c(C)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001310989444 1051754090 /nfs/dbraw/zinc/75/40/90/1051754090.db2.gz PVPARFVHJLNDIN-FQEVSTJZSA-N 0 3 384.524 3.802 20 10 GHCDHN Cc1ccccc1[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001313417140 1053048434 /nfs/dbraw/zinc/04/84/34/1053048434.db2.gz RIJWAWWRJBQCTO-NFBKMPQASA-N 0 3 394.563 3.863 20 10 GHCDHN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001319715731 1055419090 /nfs/dbraw/zinc/41/90/90/1055419090.db2.gz KKTMFDFRPMJZIX-HXUWFJFHSA-N 0 3 382.483 3.822 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1[O-] ZINC000848524785 1057149025 /nfs/dbraw/zinc/14/90/25/1057149025.db2.gz WVPSSFWRJJEEJN-WBMJQRKESA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1[O-] ZINC000848526888 1057150176 /nfs/dbraw/zinc/15/01/76/1057150176.db2.gz LIAIBMWTNVUKGI-JTQLQIEISA-N 0 3 384.245 3.646 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1[O-] ZINC000848529009 1057151529 /nfs/dbraw/zinc/15/15/29/1057151529.db2.gz PWHBZFVXCOINKK-ZFWWWQNUSA-N 0 3 394.309 3.980 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1[O-] ZINC000848530360 1057151932 /nfs/dbraw/zinc/15/19/32/1057151932.db2.gz ZPHOQSVBAQGXEM-MNOVXSKESA-N 0 3 396.329 3.795 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000848533961 1057155524 /nfs/dbraw/zinc/15/55/24/1057155524.db2.gz OJISGLARUABLEC-QVQLBTGDSA-N 0 3 398.322 3.752 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1[O-] ZINC000848536064 1057157270 /nfs/dbraw/zinc/15/72/70/1057157270.db2.gz NIYMDJIHJFZYBD-AHIWAGSCSA-N 0 3 394.309 3.806 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1[O-] ZINC000848548125 1057169424 /nfs/dbraw/zinc/16/94/24/1057169424.db2.gz XUGDSXYEIXXBMK-SWLSCSKDSA-N 0 3 383.330 3.831 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000848553384 1057174007 /nfs/dbraw/zinc/17/40/07/1057174007.db2.gz LEEFJJXSGXSVOQ-XHDPSFHLSA-N 0 3 398.272 3.557 20 10 GHCDHN CCc1cccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1O ZINC000848907755 1057412116 /nfs/dbraw/zinc/41/21/16/1057412116.db2.gz SHIWLHJNSQFNAG-UHFFFAOYSA-N 0 3 387.423 3.667 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001439958972 1058365360 /nfs/dbraw/zinc/36/53/60/1058365360.db2.gz AMYTYQWHKVIMSX-ISKFKSNPSA-N 0 3 379.548 3.766 20 10 GHCDHN CN1CCN(c2ccc(CNCc3csc(C(F)(F)F)c3)cc2F)CC1 ZINC001348110400 1062923085 /nfs/dbraw/zinc/92/30/85/1062923085.db2.gz ILRXGGIZHHPLSE-UHFFFAOYSA-N 0 3 387.446 3.948 20 10 GHCDHN COc1cc(N2CCN(Cc3cccc4ncccc34)CC2)cc(OC)c1OC ZINC001459909463 1064267241 /nfs/dbraw/zinc/26/72/41/1064267241.db2.gz LKGPCPVTZLRNCY-UHFFFAOYSA-N 0 3 393.487 3.583 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)N(C)C)cc1 ZINC001466230203 1066045372 /nfs/dbraw/zinc/04/53/72/1066045372.db2.gz SFSRTXYHXQRCGX-HOTGVXAUSA-N 0 3 388.478 3.632 20 10 GHCDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@H]1N(C)C ZINC001466550096 1066187912 /nfs/dbraw/zinc/18/79/12/1066187912.db2.gz OFPUWCJEULVMKT-MOPGFXCFSA-N 0 3 391.968 3.865 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC(c3ccccc3)C2)N(C)C)cc1 ZINC001469952873 1068487521 /nfs/dbraw/zinc/48/75/21/1068487521.db2.gz UPGOEOJFIZEXIE-QETWGEEDSA-N 0 3 380.536 3.601 20 10 GHCDHN Cc1cc(CN2CCC(n3cnc4ccccc4c3=O)CC2)ccc1N(C)C ZINC001460973855 1069307381 /nfs/dbraw/zinc/30/73/81/1069307381.db2.gz JJQAQHFDRDOODA-UHFFFAOYSA-N 0 3 376.504 3.608 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)[C@H]3CCCN(C)C3)cc2Cl)C1 ZINC001478528526 1078906153 /nfs/dbraw/zinc/90/61/53/1078906153.db2.gz PEECJERFVPGHTP-WMZOPIPTSA-N 0 3 392.975 3.812 20 10 GHCDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001474522168 1074448033 /nfs/dbraw/zinc/44/80/33/1074448033.db2.gz OJQYLVNPPJYQGO-PBHICJAKSA-N 0 3 376.447 3.541 20 10 GHCDHN COC(=O)c1c(CN[C@@H]2COc3cccc(C)c3C2)c2cc(F)ccc2n1C ZINC001474638591 1074494247 /nfs/dbraw/zinc/49/42/47/1074494247.db2.gz IYXRKKYDXKHUQC-HNNXBMFYSA-N 0 3 382.435 3.506 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)c1 ZINC000163392890 834882211 /nfs/dbraw/zinc/88/22/11/834882211.db2.gz RILBIGXNDHBRMV-SFHVURJKSA-N 0 3 382.430 3.516 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000177816915 837260907 /nfs/dbraw/zinc/26/09/07/837260907.db2.gz AHQICDWXUIGTOQ-QGZVFWFLSA-N 0 3 389.565 3.634 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cc2c(cc1O)CCCC2 ZINC000184865237 839563335 /nfs/dbraw/zinc/56/33/35/839563335.db2.gz ZUOXNMLKEUCFBK-NSHDSACASA-N 0 3 378.394 3.978 20 10 GHCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3cccnc3Cl)CC2)cc1 ZINC000162802713 841417061 /nfs/dbraw/zinc/41/70/61/841417061.db2.gz AHJDROCVOCIHTF-KRWDZBQOSA-N 0 3 388.943 3.607 20 10 GHCDHN COCCN1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000730786629 861280798 /nfs/dbraw/zinc/28/07/98/861280798.db2.gz GSEMDDYEMUZINX-FQEVSTJZSA-N 0 3 383.536 3.668 20 10 GHCDHN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCc1ccc(N)nc1C)N=[N+]=[N-] ZINC001167785159 842357144 /nfs/dbraw/zinc/35/71/44/842357144.db2.gz KCSWFLMQKHFRRZ-SXGWCWSVSA-N 0 3 381.440 3.810 20 10 GHCDHN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846365 861903259 /nfs/dbraw/zinc/90/32/59/861903259.db2.gz WZNACXIUJLYGEF-QFBILLFUSA-N 0 3 387.524 3.541 20 10 GHCDHN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846365 861903262 /nfs/dbraw/zinc/90/32/62/861903262.db2.gz WZNACXIUJLYGEF-QFBILLFUSA-N 0 3 387.524 3.541 20 10 GHCDHN CCCCCCN(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731870140 861940428 /nfs/dbraw/zinc/94/04/28/861940428.db2.gz DQMANHQHFVGXDB-ROUUACIJSA-N 0 3 393.547 3.568 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1cc(F)ccc1[O-] ZINC000760042137 855824486 /nfs/dbraw/zinc/82/44/86/855824486.db2.gz SZPUMYMFTPCXJG-OCCSQVGLSA-N 0 3 382.273 3.796 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)c4cccnc34)c2)CC1 ZINC001128207342 857253684 /nfs/dbraw/zinc/25/36/84/857253684.db2.gz WHUJRIOBDOACBA-UHFFFAOYSA-N 0 3 378.451 3.768 20 10 GHCDHN C[C@H](NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000764564202 859510162 /nfs/dbraw/zinc/51/01/62/859510162.db2.gz PMDGQIRYXFDMRM-DOTOQJQBSA-N 0 3 388.895 3.667 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccccc1Br)c1ccc(N(C)C)cc1 ZINC000764567251 859512049 /nfs/dbraw/zinc/51/20/49/859512049.db2.gz VNJHRRNHTAMIDQ-ZDUSSCGKSA-N 0 3 376.298 3.804 20 10 GHCDHN COc1cc(O)c(CN[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1OC ZINC000895704638 859830013 /nfs/dbraw/zinc/83/00/13/859830013.db2.gz QIWDTWJHXKWWQI-QGZVFWFLSA-N 0 3 385.460 3.572 20 10 GHCDHN Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCCO2 ZINC000765251561 859866862 /nfs/dbraw/zinc/86/68/62/859866862.db2.gz GMYVABSSJPIVFT-SIKLNZKXSA-N 0 3 393.531 3.700 20 10 GHCDHN CCOc1ccccc1[C@@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765252829 859868052 /nfs/dbraw/zinc/86/80/52/859868052.db2.gz JEFQTPKTEJXLHZ-MJGOQNOKSA-N 0 3 381.520 3.638 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c([O-])c1 ZINC000733800536 863191918 /nfs/dbraw/zinc/19/19/18/863191918.db2.gz YLJWLLVTPIJPIZ-KRWDZBQOSA-N 0 3 394.393 3.705 20 10 GHCDHN COc1ccc(N2CCCN(Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000792790709 881669365 /nfs/dbraw/zinc/66/93/65/881669365.db2.gz CLFJDYQGJDZXIL-UHFFFAOYSA-N 0 3 397.910 3.642 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000734404060 864216436 /nfs/dbraw/zinc/21/64/36/864216436.db2.gz FBVAWVYACHIRNJ-UHFFFAOYSA-N 0 3 394.563 3.521 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1OCC(=O)NCC1CC1 ZINC000475201354 864565034 /nfs/dbraw/zinc/56/50/34/864565034.db2.gz FLICVJUGVJWHOY-UHFFFAOYSA-N 0 3 391.515 3.682 20 10 GHCDHN COC(=O)COc1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000792988300 881861375 /nfs/dbraw/zinc/86/13/75/881861375.db2.gz FMSWUSRUWLWKKR-UHFFFAOYSA-N 0 3 396.409 3.613 20 10 GHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185360532 866015726 /nfs/dbraw/zinc/01/57/26/866015726.db2.gz HKUREXHISGACRQ-GJZGRUSLSA-N 0 3 375.463 3.834 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000741785154 866787057 /nfs/dbraw/zinc/78/70/57/866787057.db2.gz NNFZTELHVPHYHH-IEBWSBKVSA-N 0 3 390.524 3.630 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000741785154 866787071 /nfs/dbraw/zinc/78/70/71/866787071.db2.gz NNFZTELHVPHYHH-IEBWSBKVSA-N 0 3 390.524 3.630 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000745827349 869849536 /nfs/dbraw/zinc/84/95/36/869849536.db2.gz FSLYOVAOSOXONA-HXUWFJFHSA-N 0 3 394.563 3.867 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)CC3(N4CCOCC4)CCCC3)cc2)CC1 ZINC000746236832 870131903 /nfs/dbraw/zinc/13/19/03/870131903.db2.gz CYMJWQIUAITQFG-UHFFFAOYSA-N 0 3 399.579 3.574 20 10 GHCDHN CN(C)c1ccc(-c2nc(C(=O)NCCc3cnc4cc[nH]cc3-4)cs2)cc1 ZINC001193178854 870954734 /nfs/dbraw/zinc/95/47/34/870954734.db2.gz IFLAAHSZLQIDDO-UHFFFAOYSA-N 0 3 391.500 3.725 20 10 GHCDHN CN(C)c1ccc(-c2nc(C(=O)NCCc3c[nH]c4ccncc34)cs2)cc1 ZINC001193178854 870954746 /nfs/dbraw/zinc/95/47/46/870954746.db2.gz IFLAAHSZLQIDDO-UHFFFAOYSA-N 0 3 391.500 3.725 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)OCCCO4)c2)CC1 ZINC000767382958 872480371 /nfs/dbraw/zinc/48/03/71/872480371.db2.gz YNWCLDKXDCRLNM-UHFFFAOYSA-N 0 3 395.503 3.631 20 10 GHCDHN COc1cccc(CN(Cc2cc(OC)c(OC)cc2O)C[C@@H]2CCCO2)c1 ZINC000775663692 872505566 /nfs/dbraw/zinc/50/55/66/872505566.db2.gz NGXCEYQXFJJAOV-IBGZPJMESA-N 0 3 387.476 3.599 20 10 GHCDHN CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000182963426 873063989 /nfs/dbraw/zinc/06/39/89/873063989.db2.gz GJHLWVWEORMGOF-UHFFFAOYSA-N 0 3 390.483 3.963 20 10 GHCDHN CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000182963426 873064002 /nfs/dbraw/zinc/06/40/02/873064002.db2.gz GJHLWVWEORMGOF-UHFFFAOYSA-N 0 3 390.483 3.963 20 10 GHCDHN COC[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000312283875 873161780 /nfs/dbraw/zinc/16/17/80/873161780.db2.gz OOUCEGOQWZQUEX-XOBRGWDASA-N 0 3 382.476 3.598 20 10 GHCDHN CCOc1ccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([O-])c1 ZINC000768424032 873295217 /nfs/dbraw/zinc/29/52/17/873295217.db2.gz MFTOXJVVJCOWJF-UHFFFAOYSA-N 0 3 380.488 3.848 20 10 GHCDHN CCOc1ccc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([O-])c1 ZINC000768424032 873295228 /nfs/dbraw/zinc/29/52/28/873295228.db2.gz MFTOXJVVJCOWJF-UHFFFAOYSA-N 0 3 380.488 3.848 20 10 GHCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccc(Br)cc3)CCC1)[C@@H](O)CO2 ZINC000768440663 873305906 /nfs/dbraw/zinc/30/59/06/873305906.db2.gz UGNGLKUEWHGGGI-KRWDZBQOSA-N 0 3 390.277 3.750 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC001197355828 873733171 /nfs/dbraw/zinc/73/31/71/873733171.db2.gz SBTOZXUADWXBBD-UHFFFAOYSA-N 0 3 375.925 3.997 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528000784 873870800 /nfs/dbraw/zinc/87/08/00/873870800.db2.gz HLWKOPXOMSMRJH-YVEFUNNKSA-N 0 3 389.293 3.941 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000769420899 874036402 /nfs/dbraw/zinc/03/64/02/874036402.db2.gz SZMQFWPJXILHAT-CQSZACIVSA-N 0 3 383.410 3.751 20 10 GHCDHN C[C@H](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775838430 874333330 /nfs/dbraw/zinc/33/33/30/874333330.db2.gz YUUOSMQPMYAFMK-AWEZNQCLSA-N 0 3 395.425 3.618 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-n4ccc(C)n4)cc3)c2)CC1 ZINC000770149100 874501851 /nfs/dbraw/zinc/50/18/51/874501851.db2.gz WODAGNKXEYHQAF-UHFFFAOYSA-N 0 3 389.503 3.575 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC1CC1 ZINC000858109390 882854327 /nfs/dbraw/zinc/85/43/27/882854327.db2.gz VGRSBWFBKSGXIQ-KRWDZBQOSA-N 0 3 382.504 3.924 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3nc4c(s3)CCC4)C2)cc1 ZINC000771842466 875481547 /nfs/dbraw/zinc/48/15/47/875481547.db2.gz NYMZXBFDRYBEPG-CYBMUJFWSA-N 0 3 379.476 3.992 20 10 GHCDHN CC1(N2CCOCC2)CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000529662351 876477879 /nfs/dbraw/zinc/47/78/79/876477879.db2.gz DXESXUKEKFHYNL-UHFFFAOYSA-N 0 3 396.531 3.658 20 10 GHCDHN COc1cc(CNCc2nnc(-c3ccc(F)cc3)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850184411 876718502 /nfs/dbraw/zinc/71/85/02/876718502.db2.gz XGMUFJALZFOZBC-UHFFFAOYSA-N 0 3 384.455 3.912 20 10 GHCDHN CN(C)c1ccc([C@@H](CN[C@@H]2CCCn3nccc32)NC(=O)OC(C)(C)C)cc1 ZINC000850454460 876937417 /nfs/dbraw/zinc/93/74/17/876937417.db2.gz JRFBVACPCXNQNV-RTBURBONSA-N 0 3 399.539 3.640 20 10 GHCDHN COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000850482492 876956960 /nfs/dbraw/zinc/95/69/60/876956960.db2.gz PHYTXXDWNFKUIT-CRAIPNDOSA-N 0 3 393.911 3.633 20 10 GHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(Br)cn3)C2)cc1 ZINC000850486215 876959616 /nfs/dbraw/zinc/95/96/16/876959616.db2.gz AXTHVJDUHGGBKC-DZGCQCFKSA-N 0 3 376.298 3.782 20 10 GHCDHN C[C@H](NCC[S@](=O)CC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490424 876968761 /nfs/dbraw/zinc/96/87/61/876968761.db2.gz BHJUZEZZKHRQJZ-CANCMXDXSA-N 0 3 380.451 3.778 20 10 GHCDHN O=C(CCN(Cc1ccco1)Cc1ccccc1O)Nc1ccc2c(c1)OCO2 ZINC000109761206 877424988 /nfs/dbraw/zinc/42/49/88/877424988.db2.gz VVCMYFIJXBJCTR-UHFFFAOYSA-N 0 3 394.427 3.745 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c1[O-] ZINC001183146616 912303967 /nfs/dbraw/zinc/30/39/67/912303967.db2.gz YEDMKQLCUXMLNY-GOSISDBHSA-N 0 3 382.273 3.686 20 10 GHCDHN O=C1CCCN1C[C@H](NCc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000238109409 878785667 /nfs/dbraw/zinc/78/56/67/878785667.db2.gz FTIOYFUWCKRQGY-KRWDZBQOSA-N 0 3 378.394 3.864 20 10 GHCDHN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000789585901 879083216 /nfs/dbraw/zinc/08/32/16/879083216.db2.gz GEZGKPKJOMUWLJ-QGZVFWFLSA-N 0 3 394.309 3.853 20 10 GHCDHN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000789585901 879083231 /nfs/dbraw/zinc/08/32/31/879083231.db2.gz GEZGKPKJOMUWLJ-QGZVFWFLSA-N 0 3 394.309 3.853 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC)cc3OC(C)C)c2)CC1 ZINC000789665186 879115341 /nfs/dbraw/zinc/11/53/41/879115341.db2.gz BBECIADFHYEKQW-UHFFFAOYSA-N 0 3 397.519 3.877 20 10 GHCDHN COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2cc(F)cc(F)c2[O-])cc1F ZINC000854229464 879647448 /nfs/dbraw/zinc/64/74/48/879647448.db2.gz OIHCHKIDWWSZSI-VZSAFFHGSA-N 0 3 380.410 3.614 20 10 GHCDHN CCN(C)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000790965280 880106902 /nfs/dbraw/zinc/10/69/02/880106902.db2.gz BMXNDLIFEPPXAI-LJQANCHMSA-N 0 3 388.943 3.651 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000795714808 912659386 /nfs/dbraw/zinc/65/93/86/912659386.db2.gz CBNLRJWARAERTN-LJQANCHMSA-N 0 3 397.393 3.611 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000795714808 912659391 /nfs/dbraw/zinc/65/93/91/912659391.db2.gz CBNLRJWARAERTN-LJQANCHMSA-N 0 3 397.393 3.611 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142520278 884475279 /nfs/dbraw/zinc/47/52/79/884475279.db2.gz FHFNMNULRZBDAX-FQELHTAISA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142520278 884475291 /nfs/dbraw/zinc/47/52/91/884475291.db2.gz FHFNMNULRZBDAX-FQELHTAISA-N 0 3 387.474 3.798 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1[O-] ZINC000154925716 885139978 /nfs/dbraw/zinc/13/99/78/885139978.db2.gz NFDDJBHGYVYCMW-FQEVSTJZSA-N 0 3 388.533 3.808 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000808451211 886362086 /nfs/dbraw/zinc/36/20/86/886362086.db2.gz HPEKEFIKLXRYHU-SHTZXODSSA-N 0 3 392.496 3.542 20 10 GHCDHN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000777269071 886502992 /nfs/dbraw/zinc/50/29/92/886502992.db2.gz HHKBLDIXBRXINI-PXNSSMCTSA-N 0 3 393.547 3.644 20 10 GHCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])N2CCOCC2)o1 ZINC000808673567 886668522 /nfs/dbraw/zinc/66/85/22/886668522.db2.gz QVDWMEQYIMVZCM-MAUKXSAKSA-N 0 3 378.900 3.980 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)cc(C)c3[O-])[C@@H]2C1 ZINC000808722806 886705681 /nfs/dbraw/zinc/70/56/81/886705681.db2.gz GRRPVVGKNLBJON-OLUCIUBSSA-N 0 3 395.341 3.761 20 10 GHCDHN C[C@@H]1OCC[C@@]12C[N@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670286 887715206 /nfs/dbraw/zinc/71/52/06/887715206.db2.gz VZIRMYXYEDBFAT-ORAYPTAESA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670286 887715216 /nfs/dbraw/zinc/71/52/16/887715216.db2.gz VZIRMYXYEDBFAT-ORAYPTAESA-N 0 3 392.293 3.688 20 10 GHCDHN O=C(Nc1nncs1)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000809733937 887716381 /nfs/dbraw/zinc/71/63/81/887716381.db2.gz NLQYAIFBLOQIJR-UHFFFAOYSA-N 0 3 394.500 3.761 20 10 GHCDHN c1c2c(nn1-c1ccccc1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000794801861 888072645 /nfs/dbraw/zinc/07/26/45/888072645.db2.gz KZBZNYXHXGDOFB-QHCPKHFHSA-N 0 3 388.515 3.876 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219881 888296404 /nfs/dbraw/zinc/29/64/04/888296404.db2.gz XGSBGYOIEMLGPB-KDOFPFPSSA-N 0 3 386.458 3.953 20 10 GHCDHN O=C(CCN(Cc1ccco1)Cc1ccccc1O)NC(=O)Nc1ccccc1 ZINC000121035506 888844162 /nfs/dbraw/zinc/84/41/62/888844162.db2.gz PJPKRAHINWVUSC-UHFFFAOYSA-N 0 3 393.443 3.726 20 10 GHCDHN COc1cccc2c1OCCC[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000866391921 888854906 /nfs/dbraw/zinc/85/49/06/888854906.db2.gz SUVDOGSXMMUDGZ-OAQYLSRUSA-N 0 3 382.504 3.660 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000916607537 889177523 /nfs/dbraw/zinc/17/75/23/889177523.db2.gz HKOGVEJDHHVUEJ-QFIPXVFZSA-N 0 3 394.563 3.949 20 10 GHCDHN CN1CCN(c2ccc(CNCc3nc(-c4ccccc4F)cs3)cc2)CC1 ZINC000811496523 889649357 /nfs/dbraw/zinc/64/93/57/889649357.db2.gz BGPWQCUWFUUXLN-UHFFFAOYSA-N 0 3 396.535 3.991 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-n4cccn4)cc3)c2)CC1 ZINC000122579539 889933124 /nfs/dbraw/zinc/93/31/24/889933124.db2.gz XFIZPUYHRJKJHL-UHFFFAOYSA-N 0 3 389.503 3.655 20 10 GHCDHN COc1ccc(N2CCC(N[C@@H](c3cnn(C)c3)c3cccc(F)c3)CC2)cc1 ZINC000154144254 890113490 /nfs/dbraw/zinc/11/34/90/890113490.db2.gz JYMICOJCKYLSOD-HSZRJFAPSA-N 0 3 394.494 3.916 20 10 GHCDHN COCC[C@@H]1COCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000812300469 890551111 /nfs/dbraw/zinc/55/11/11/890551111.db2.gz XFJLPRVAFLRTGT-OAHLLOKOSA-N 0 3 380.282 3.545 20 10 GHCDHN COCC[C@@H]1COCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000812300469 890551118 /nfs/dbraw/zinc/55/11/18/890551118.db2.gz XFJLPRVAFLRTGT-OAHLLOKOSA-N 0 3 380.282 3.545 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccc(CC)cc1)C(C)C)cc2=O ZINC000917058496 890856959 /nfs/dbraw/zinc/85/69/59/890856959.db2.gz MLDXZAPIALHCAZ-FQEVSTJZSA-N 0 3 396.491 3.661 20 10 GHCDHN O=S1(=O)CCN(c2ccc(CNCc3ccc(C4CCCC4)cc3)cc2)CC1 ZINC000812756690 890940223 /nfs/dbraw/zinc/94/02/23/890940223.db2.gz SOTLPRYVLZXYKH-UHFFFAOYSA-N 0 3 398.572 3.869 20 10 GHCDHN Cc1cc(Br)c([O-])c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812779028 890958754 /nfs/dbraw/zinc/95/87/54/890958754.db2.gz TXOOPRHCQOCIAM-QGZVFWFLSA-N 0 3 391.309 3.642 20 10 GHCDHN Cc1cc(Br)c([O-])c(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812779028 890958765 /nfs/dbraw/zinc/95/87/65/890958765.db2.gz TXOOPRHCQOCIAM-QGZVFWFLSA-N 0 3 391.309 3.642 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000812781315 890961765 /nfs/dbraw/zinc/96/17/65/890961765.db2.gz PEMOPAFISLILKP-LJQANCHMSA-N 0 3 376.294 3.599 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000812781315 890961769 /nfs/dbraw/zinc/96/17/69/890961769.db2.gz PEMOPAFISLILKP-LJQANCHMSA-N 0 3 376.294 3.599 20 10 GHCDHN O=C(N[C@@H]1C[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1)OCc1ccccc1 ZINC000814177342 892342113 /nfs/dbraw/zinc/34/21/13/892342113.db2.gz YZSFMPHCESSSQW-NHCUHLMSSA-N 0 3 380.488 3.919 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000918022460 892987527 /nfs/dbraw/zinc/98/75/27/892987527.db2.gz UODRPJBCPYSIBP-QFIPXVFZSA-N 0 3 383.511 3.557 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2nc3ccccc3s2)N(C)C)cc1 ZINC001134681585 893218229 /nfs/dbraw/zinc/21/82/29/893218229.db2.gz AVFAUYSLVFWSPC-LJQANCHMSA-N 0 3 396.560 3.714 20 10 GHCDHN C[C@H]1CCc2c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)csc2C1 ZINC001134882380 893505009 /nfs/dbraw/zinc/50/50/09/893505009.db2.gz OEAIYNTWONUBNQ-YWZLYKJASA-N 0 3 385.577 3.972 20 10 GHCDHN OCC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000877664622 893751761 /nfs/dbraw/zinc/75/17/61/893751761.db2.gz UWMSTRYKDMJNRW-OAQYLSRUSA-N 0 3 392.902 3.654 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877757362 893796236 /nfs/dbraw/zinc/79/62/36/893796236.db2.gz TVUYRLLQBVTYGW-JCHJZTRSSA-N 0 3 390.524 3.847 20 10 GHCDHN COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[O-])c(OC)cc1Cl ZINC000879648196 895201923 /nfs/dbraw/zinc/20/19/23/895201923.db2.gz DLJCIAYODUEUMC-GFCCVEGCSA-N 0 3 378.856 3.742 20 10 GHCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3ccncc3Cl)CC2)cc1 ZINC000817576891 895747895 /nfs/dbraw/zinc/74/78/95/895747895.db2.gz ZQKOWHFNKNWZCN-QGZVFWFLSA-N 0 3 388.943 3.607 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3nc4ccc(Cl)cc4n3C)C2)cc1 ZINC000818222538 896088185 /nfs/dbraw/zinc/08/81/85/896088185.db2.gz UQZCYMQAJPGMEZ-HNNXBMFYSA-N 0 3 384.911 3.851 20 10 GHCDHN C[C@@H](N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387223 897550567 /nfs/dbraw/zinc/55/05/67/897550567.db2.gz UFAOXDLHWHZDBQ-GCJKJVERSA-N 0 3 394.494 3.951 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCN(C)Cc1ccccc1 ZINC001136392439 897589244 /nfs/dbraw/zinc/58/92/44/897589244.db2.gz DLMQAKTYNSMQEI-UHFFFAOYSA-N 0 3 389.499 3.768 20 10 GHCDHN COc1ccc(NC(=O)C2(NCc3ccc4c(c3)CCO4)CCCC2)cc1OC ZINC000133064012 898110351 /nfs/dbraw/zinc/11/03/51/898110351.db2.gz VRIWOZSNGIJOOD-UHFFFAOYSA-N 0 3 396.487 3.680 20 10 GHCDHN COc1cc(Br)cc(CNCc2ccnc(C(F)(F)F)c2)c1O ZINC000824660477 899748963 /nfs/dbraw/zinc/74/89/63/899748963.db2.gz AXXICBCQLFZFRE-UHFFFAOYSA-N 0 3 391.187 3.867 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824952539 899903307 /nfs/dbraw/zinc/90/33/07/899903307.db2.gz CSFRORKFXFHESW-DLBZAZTESA-N 0 3 377.282 3.868 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824961051 899909121 /nfs/dbraw/zinc/90/91/21/899909121.db2.gz AOBVODUOXPCSDV-QGZVFWFLSA-N 0 3 376.508 3.954 20 10 GHCDHN COc1ccc(O)c(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2F)c1 ZINC000846060836 902642438 /nfs/dbraw/zinc/64/24/38/902642438.db2.gz AYLKEVJXNDPSNV-UHFFFAOYSA-N 0 3 390.455 3.854 20 10 GHCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC000846160609 902730900 /nfs/dbraw/zinc/73/09/00/902730900.db2.gz UGMZFLSEQRBVSH-BZNIZROVSA-N 0 3 378.831 3.649 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000779018687 902930816 /nfs/dbraw/zinc/93/08/16/902930816.db2.gz ONAFWABJFCOASB-PWSUYJOCSA-N 0 3 381.236 3.750 20 10 GHCDHN COc1c([O-])c(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775034963 914686134 /nfs/dbraw/zinc/68/61/34/914686134.db2.gz VLOHPJVICFSUIX-HZPDHXFCSA-N 0 3 399.491 3.555 20 10 GHCDHN C[C@@H]1CN([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000779054464 903581456 /nfs/dbraw/zinc/58/14/56/903581456.db2.gz DPSRIKQECOSDBU-ACJLOTCBSA-N 0 3 396.865 3.875 20 10 GHCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000151509160 904145576 /nfs/dbraw/zinc/14/55/76/904145576.db2.gz DYPQUMAEVJSSKB-HNNXBMFYSA-N 0 3 385.483 3.596 20 10 GHCDHN CCc1nc(C)c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000151512856 904147549 /nfs/dbraw/zinc/14/75/49/904147549.db2.gz KBEZTMNVPLKGRF-ZDUSSCGKSA-N 0 3 377.529 3.965 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1N(C)C ZINC000151543196 904153357 /nfs/dbraw/zinc/15/33/57/904153357.db2.gz CEGBCHBHNWJJJB-OAHLLOKOSA-N 0 3 389.490 3.843 20 10 GHCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] ZINC000151572934 904159448 /nfs/dbraw/zinc/15/94/48/904159448.db2.gz PEWGSEPYWFPUQN-QGZVFWFLSA-N 0 3 383.492 3.963 20 10 GHCDHN Cc1c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cccc1[N+](=O)[O-] ZINC000151576972 904160267 /nfs/dbraw/zinc/16/02/67/904160267.db2.gz ZDVHRWOTXRRFOF-KRWDZBQOSA-N 0 3 383.492 3.963 20 10 GHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000185146252 907721715 /nfs/dbraw/zinc/72/17/15/907721715.db2.gz WQFMOYZXFUYKSN-OAHLLOKOSA-N 0 3 376.522 3.628 20 10 GHCDHN CN(C)c1ccc(CNCc2c[nH]c(C(=O)OCc3ccccc3)c2)cc1F ZINC001177553894 908616731 /nfs/dbraw/zinc/61/67/31/908616731.db2.gz DANVDYRNVPFJAP-UHFFFAOYSA-N 0 3 381.451 3.867 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268762238 910004153 /nfs/dbraw/zinc/00/41/53/910004153.db2.gz HTSYSGMGDPOTEQ-SFHVURJKSA-N 0 3 398.526 3.898 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000283187682 911403718 /nfs/dbraw/zinc/40/37/18/911403718.db2.gz QKMPJDZIODQKQZ-SIKLNZKXSA-N 0 3 394.515 3.536 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000283187682 911403728 /nfs/dbraw/zinc/40/37/28/911403728.db2.gz QKMPJDZIODQKQZ-SIKLNZKXSA-N 0 3 394.515 3.536 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000775253772 916644765 /nfs/dbraw/zinc/64/47/65/916644765.db2.gz DZZOUUOMHURZCX-AWEZNQCLSA-N 0 3 391.874 3.605 20 10 GHCDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000775255927 916664578 /nfs/dbraw/zinc/66/45/78/916664578.db2.gz SAEDGGYQFSXSLB-INIZCTEOSA-N 0 3 387.911 3.774 20 10 GHCDHN Cc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000775259484 916699600 /nfs/dbraw/zinc/69/96/00/916699600.db2.gz UVEGBXLHTQJARK-PMACEKPBSA-N 0 3 395.547 3.668 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccccc2)CC(F)(F)F)c1 ZINC000775372724 917251847 /nfs/dbraw/zinc/25/18/47/917251847.db2.gz HGJGUSIAKPIFAQ-AWEZNQCLSA-N 0 3 396.409 3.643 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796488575 917739362 /nfs/dbraw/zinc/73/93/62/917739362.db2.gz FABLAZOODUERDS-GOSISDBHSA-N 0 3 386.561 3.768 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802660538 922318826 /nfs/dbraw/zinc/31/88/26/922318826.db2.gz OQEOKQSOAYGOHS-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802660538 922318840 /nfs/dbraw/zinc/31/88/40/922318840.db2.gz OQEOKQSOAYGOHS-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN Fc1ccccc1[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000903076205 922752295 /nfs/dbraw/zinc/75/22/95/922752295.db2.gz LLGSXGOVKBMLAT-QHCPKHFHSA-N 0 3 384.495 3.920 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)c1[O-] ZINC000903202405 922850005 /nfs/dbraw/zinc/85/00/05/922850005.db2.gz BXTXQQULAQOLDO-LLVKDONJSA-N 0 3 390.281 3.901 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000827898656 926244492 /nfs/dbraw/zinc/24/44/92/926244492.db2.gz RWNLYMPNORISDO-UHFFFAOYSA-N 0 3 385.357 3.914 20 10 GHCDHN [O-]c1ccccc1C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000725851243 926468757 /nfs/dbraw/zinc/46/87/57/926468757.db2.gz KVICLYPEDRRKJZ-UHFFFAOYSA-N 0 3 381.501 3.642 20 10 GHCDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(C)n1-c1cccc(C(C)C)c1 ZINC000725896742 926482720 /nfs/dbraw/zinc/48/27/20/926482720.db2.gz OMEHNOCPXGEZSB-VXKWHMMOSA-N 0 3 395.547 3.811 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000726189814 926582894 /nfs/dbraw/zinc/58/28/94/926582894.db2.gz MUCXQYOMSKAPPT-KRWDZBQOSA-N 0 3 397.519 3.898 20 10 GHCDHN COc1ccc(N2CCN(CCCNCc3c(F)cccc3Cl)CC2)cc1 ZINC000726707968 926816474 /nfs/dbraw/zinc/81/64/74/926816474.db2.gz INUWJKNQDXXHKN-UHFFFAOYSA-N 0 3 391.918 3.790 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000753543747 929402795 /nfs/dbraw/zinc/40/27/95/929402795.db2.gz DPMXPCHGBOLKAF-QFIPXVFZSA-N 0 3 383.488 3.741 20 10 GHCDHN CC(C)OCCN1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753545816 929403877 /nfs/dbraw/zinc/40/38/77/929403877.db2.gz HTIGCKBTKRSRKU-UHFFFAOYSA-N 0 3 384.520 3.514 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(c3nccc(C)n3)CC2)c1[O-] ZINC000758265156 929995005 /nfs/dbraw/zinc/99/50/05/929995005.db2.gz NYQOKGPBBNJMBK-UHFFFAOYSA-N 0 3 391.471 3.810 20 10 GHCDHN C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CN1Cc1ccccc1 ZINC000759586532 930414104 /nfs/dbraw/zinc/41/41/04/930414104.db2.gz PZVYISJQFKPBHW-NVXWUHKLSA-N 0 3 390.578 3.588 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C2CC2)cc1 ZINC000759659224 930442780 /nfs/dbraw/zinc/44/27/80/930442780.db2.gz NDPJSKXJXBBAGP-GOTSBHOMSA-N 0 3 392.547 3.872 20 10 GHCDHN Cc1cc(N2CCC([NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])CC2)n[nH]1 ZINC000784672819 931974346 /nfs/dbraw/zinc/97/43/46/931974346.db2.gz PBRKSRCPMSKTKB-UHFFFAOYSA-N 0 3 392.503 3.761 20 10 GHCDHN COC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000797096972 932181416 /nfs/dbraw/zinc/18/14/16/932181416.db2.gz NDDBLTUNWJYJBJ-LBPRGKRZSA-N 0 3 385.302 3.592 20 10 GHCDHN COc1cc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000797418496 932276674 /nfs/dbraw/zinc/27/66/74/932276674.db2.gz SXTDECYXHVWEBB-VVBPWWLESA-N 0 3 377.525 3.857 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1coc2ccccc21 ZINC000926878293 932334194 /nfs/dbraw/zinc/33/41/94/932334194.db2.gz QVOOZTHFTFQNHX-MRXNPFEDSA-N 0 3 377.488 3.985 20 10 GHCDHN CCOCc1cc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ccc1OC ZINC000798504775 932678837 /nfs/dbraw/zinc/67/88/37/932678837.db2.gz DMFKZINQQYQYOC-UWJYYQICSA-N 0 3 382.504 3.511 20 10 GHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799739202 933106910 /nfs/dbraw/zinc/10/69/10/933106910.db2.gz RUEATLXOCHIPQT-INIZCTEOSA-N 0 3 378.513 3.918 20 10 GHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799739202 933106913 /nfs/dbraw/zinc/10/69/13/933106913.db2.gz RUEATLXOCHIPQT-INIZCTEOSA-N 0 3 378.513 3.918 20 10 GHCDHN CC[C@@](C)(NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(C)cs1 ZINC001116488260 933587549 /nfs/dbraw/zinc/58/75/49/933587549.db2.gz PWWYWTXCWMJZHB-HXUWFJFHSA-N 0 3 376.545 3.757 20 10 GHCDHN CC[C@H](C)n1ncc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000931073135 934361653 /nfs/dbraw/zinc/36/16/53/934361653.db2.gz OHAAETRLQAUAFQ-MGPUTAFESA-N 0 3 386.544 3.653 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2nsc3ccccc32)N(C)C)cc1 ZINC001626080391 1014862729 /nfs/dbraw/zinc/86/27/29/1014862729.db2.gz HYOVRNKNPNHSLD-QGZVFWFLSA-N 0 3 383.521 3.787 20 10 GHCDHN CC[C@H]1CCCN(Cc2cc(I)cc(OC)c2O)C1 ZINC001248405742 1035821444 /nfs/dbraw/zinc/82/14/44/1035821444.db2.gz YCLMYZDHDSXDIS-NSHDSACASA-N 0 3 375.250 3.627 20 10 GHCDHN O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1c([O-])cccc1F ZINC001221508956 1032441052 /nfs/dbraw/zinc/44/10/52/1032441052.db2.gz PGUOKPGYDPCTOX-UHFFFAOYSA-N 0 3 385.483 3.907 20 10 GHCDHN Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001221654944 1032498304 /nfs/dbraw/zinc/49/83/04/1032498304.db2.gz KCPVTFIBECVYTM-QFIPXVFZSA-N 0 3 396.579 3.941 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204277333 1032719254 /nfs/dbraw/zinc/71/92/54/1032719254.db2.gz ZSLJHSOGCALZGU-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(O)cc2[O-])CC1 ZINC001204277333 1032719266 /nfs/dbraw/zinc/71/92/66/1032719266.db2.gz ZSLJHSOGCALZGU-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN COCC[C@@H](NCc1cc(Br)cc(OC)c1O)c1ccc(C)o1 ZINC000778122305 1018673761 /nfs/dbraw/zinc/67/37/61/1018673761.db2.gz ZKOXUYAXFFJXDU-CQSZACIVSA-N 0 3 384.270 3.932 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1[O-] ZINC000779011591 1020192687 /nfs/dbraw/zinc/19/26/87/1020192687.db2.gz JMRGGAVYSRRZCZ-GDBMZVCRSA-N 0 3 378.310 3.965 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1[O-] ZINC000834902754 1021650200 /nfs/dbraw/zinc/65/02/00/1021650200.db2.gz IHTSUYBCLFCZPB-TZMCWYRMSA-N 0 3 382.273 3.796 20 10 GHCDHN CN(c1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1)C1CCCCC1 ZINC000827820756 1022349410 /nfs/dbraw/zinc/34/94/10/1022349410.db2.gz DBFKTWCWVJDEGM-PQNGQFLHSA-N 0 3 399.579 3.604 20 10 GHCDHN COC(=O)NC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000827929412 1022374331 /nfs/dbraw/zinc/37/43/31/1022374331.db2.gz JCPCIDUESGKJQE-UHFFFAOYSA-N 0 3 379.504 3.570 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(C[C@@H](OC)c3ccccc3)CC2)c(O)c1 ZINC001140857560 1022715003 /nfs/dbraw/zinc/71/50/03/1022715003.db2.gz QNCFJNIMMPXBSX-XMMPIXPASA-N 0 3 397.563 3.744 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3CN(Cc4ccc(N(C)C)cc4Cl)C[C@@H]3C2=O)c1 ZINC001140924857 1022901071 /nfs/dbraw/zinc/90/10/71/1022901071.db2.gz UXQMCPMZXAATSN-FPOVZHCZSA-N 0 3 397.950 3.805 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)c2ccc(C)cc21 ZINC001140950278 1022972345 /nfs/dbraw/zinc/97/23/45/1022972345.db2.gz PNDWKHGFABXYMU-NRFANRHFSA-N 0 3 393.531 3.917 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950406 1022972511 /nfs/dbraw/zinc/97/25/11/1022972511.db2.gz SAPNJBMDKCZSMN-GOTSBHOMSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950406 1022972513 /nfs/dbraw/zinc/97/25/13/1022972513.db2.gz SAPNJBMDKCZSMN-GOTSBHOMSA-N 0 3 389.536 3.515 20 10 GHCDHN COc1cc(O)c(CN2CCC3(CC(=O)c4ccc(F)cc43)CC2)c(OC)c1 ZINC001141026552 1023257440 /nfs/dbraw/zinc/25/74/40/1023257440.db2.gz UVAIEPNZQRJBKQ-UHFFFAOYSA-N 0 3 385.435 3.669 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@]12CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074989 1023435058 /nfs/dbraw/zinc/43/50/58/1023435058.db2.gz GYKWKJSOYRBDGM-XMMPIXPASA-N 0 3 397.563 3.971 20 10 GHCDHN CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075657 1023436946 /nfs/dbraw/zinc/43/69/46/1023436946.db2.gz VYIVHHLFTVMRKE-UHFFFAOYSA-N 0 3 397.563 3.875 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2ccc(N(C)C)cc2)cc1 ZINC000756362756 1023606577 /nfs/dbraw/zinc/60/65/77/1023606577.db2.gz LMIPGUOIXCUIKX-FCHUYYIVSA-N 0 3 386.561 3.936 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756435077 1023646882 /nfs/dbraw/zinc/64/68/82/1023646882.db2.gz UUAAEFORRYNHKO-LIRRHRJNSA-N 0 3 398.478 3.569 20 10 GHCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000756606167 1023734388 /nfs/dbraw/zinc/73/43/88/1023734388.db2.gz WDGXDMOPCPZYSB-KOSHJBKYSA-N 0 3 376.500 3.833 20 10 GHCDHN CCOC(=O)COc1ccc(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756734210 1023791998 /nfs/dbraw/zinc/79/19/98/1023791998.db2.gz WGVDSJWESHDPKD-KSSFIOAISA-N 0 3 387.451 3.854 20 10 GHCDHN CN1CCOc2cc(CN3CCC[C@@](C)(CNC(=O)OC(C)(C)C)C3)ccc21 ZINC001141146218 1023966866 /nfs/dbraw/zinc/96/68/66/1023966866.db2.gz OTYFRXRTEOAJEF-QFIPXVFZSA-N 0 3 389.540 3.642 20 10 GHCDHN c1csc(CN2C[C@H]3C[C@@H](C2)N(Cc2ccc(N4CCCCC4)cc2)C3)n1 ZINC001138218895 1024391439 /nfs/dbraw/zinc/39/14/39/1024391439.db2.gz XIUIAKDZEVLKNM-CTNGQTDRSA-N 0 3 382.577 3.840 20 10 GHCDHN O=C1OC2(CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c2cccnc21 ZINC001138220966 1024394677 /nfs/dbraw/zinc/39/46/77/1024394677.db2.gz VDGXCEXKAGVWTJ-UHFFFAOYSA-N 0 3 377.488 3.734 20 10 GHCDHN Cc1c(CN(C)C[C@@H]2CN(Cc3ccccc3)CCO2)c2ccccc2n1C ZINC001138259149 1024488325 /nfs/dbraw/zinc/48/83/25/1024488325.db2.gz CNZCSQSZCRPUEI-OAQYLSRUSA-N 0 3 377.532 3.820 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001138388241 1024762718 /nfs/dbraw/zinc/76/27/18/1024762718.db2.gz UDWUNQPMILSAMO-NQIIRXRSSA-N 0 3 387.568 3.620 20 10 GHCDHN CC(C)N1CC[C@@H](NCc2ccc(N3CCCCC3)c(Br)c2)C1=O ZINC000838960467 1025477670 /nfs/dbraw/zinc/47/76/70/1025477670.db2.gz ZUOVGTXJHXTSLJ-QGZVFWFLSA-N 0 3 394.357 3.538 20 10 GHCDHN CN(C)c1ccc(CNC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000839492950 1025982292 /nfs/dbraw/zinc/98/22/92/1025982292.db2.gz UCPAWRQIAVOXBE-UHFFFAOYSA-N 0 3 381.520 3.519 20 10 GHCDHN CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000839492950 1025982296 /nfs/dbraw/zinc/98/22/96/1025982296.db2.gz UCPAWRQIAVOXBE-UHFFFAOYSA-N 0 3 381.520 3.519 20 10 GHCDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001139628313 1026495079 /nfs/dbraw/zinc/49/50/79/1026495079.db2.gz WKTAGMNBLHABLP-OAQYLSRUSA-N 0 3 381.520 3.771 20 10 GHCDHN Cc1cc(CN2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1N(C)C ZINC001139674020 1026528817 /nfs/dbraw/zinc/52/88/17/1026528817.db2.gz KXBAADCHANMPMX-HNNXBMFYSA-N 0 3 380.414 3.523 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1O ZINC001140181350 1026954687 /nfs/dbraw/zinc/95/46/87/1026954687.db2.gz SYCAJHNQAIUTNG-HGHGUNKESA-N 0 3 388.533 3.662 20 10 GHCDHN O=C1N(c2cccnc2)CC[C@]12C[N@H+](Cc1ccccc1[O-])C[C@H]2c1ccccc1 ZINC001203552546 1027430622 /nfs/dbraw/zinc/43/06/22/1027430622.db2.gz NWUUFMAORFPDGX-WIOPSUGQSA-N 0 3 399.494 3.810 20 10 GHCDHN O=C1N(c2cccnc2)CC[C@]12C[N@@H+](Cc1ccccc1[O-])C[C@H]2c1ccccc1 ZINC001203552546 1027430626 /nfs/dbraw/zinc/43/06/26/1027430626.db2.gz NWUUFMAORFPDGX-WIOPSUGQSA-N 0 3 399.494 3.810 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccc(Br)cc1 ZINC001203561317 1027433663 /nfs/dbraw/zinc/43/36/63/1027433663.db2.gz QCIJQSHWMYOQLR-UHFFFAOYSA-N 0 3 389.293 3.549 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2n1 ZINC001461248580 1069460835 /nfs/dbraw/zinc/46/08/35/1069460835.db2.gz BWDYXHXMQAWCKI-UHFFFAOYSA-N 0 3 381.451 3.509 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)cc1 ZINC001203914292 1027703288 /nfs/dbraw/zinc/70/32/88/1027703288.db2.gz PCLWMDLPRZJQAV-HSZRJFAPSA-N 0 3 384.495 3.953 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)cc1 ZINC001203914293 1027704268 /nfs/dbraw/zinc/70/42/68/1027704268.db2.gz PCLWMDLPRZJQAV-QHCPKHFHSA-N 0 3 384.495 3.953 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN2CCC(NC(=O)NC)CC2)cc1 ZINC000840974353 1028012829 /nfs/dbraw/zinc/01/28/29/1028012829.db2.gz HJKKMKBWIUFNQG-UHFFFAOYSA-N 0 3 380.536 3.607 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CSc3ccccc32)N(C)C)cc1 ZINC001222145298 1029977328 /nfs/dbraw/zinc/97/73/28/1029977328.db2.gz GMKDSDDWXLWXIM-RBUKOAKNSA-N 0 3 384.549 3.502 20 10 GHCDHN C[C@]1(NC(=O)NCCCSc2nccs2)CCN(Cc2ccccc2)C1 ZINC001223739143 1030732130 /nfs/dbraw/zinc/73/21/30/1030732130.db2.gz WJGGOURZWGYIBG-IBGZPJMESA-N 0 3 390.578 3.589 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001223803743 1030758794 /nfs/dbraw/zinc/75/87/94/1030758794.db2.gz VIKZYQRORNJNEO-YADHBBJMSA-N 0 3 398.551 3.814 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@H]2CCc3ccccc32)N(C)C)cc1 ZINC001229318816 1033413682 /nfs/dbraw/zinc/41/36/82/1033413682.db2.gz CMUVNLJXPSGTJB-XXBNENTESA-N 0 3 394.563 3.775 20 10 GHCDHN CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC001231586851 1034739039 /nfs/dbraw/zinc/73/90/39/1034739039.db2.gz MTKOEMRDTYKBOW-LJQANCHMSA-N 0 3 396.531 3.785 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231587235 1034739448 /nfs/dbraw/zinc/73/94/48/1034739448.db2.gz RNAQBNPQDOBUIR-UHFFFAOYSA-N 0 3 382.485 3.779 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231587235 1034739457 /nfs/dbraw/zinc/73/94/57/1034739457.db2.gz RNAQBNPQDOBUIR-UHFFFAOYSA-N 0 3 382.485 3.779 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001231587675 1034740832 /nfs/dbraw/zinc/74/08/32/1034740832.db2.gz OEEYOJKCRNVWRC-GOSISDBHSA-N 0 3 377.488 3.801 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001231587675 1034740846 /nfs/dbraw/zinc/74/08/46/1034740846.db2.gz OEEYOJKCRNVWRC-GOSISDBHSA-N 0 3 377.488 3.801 20 10 GHCDHN [O-]c1c(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)ccc2ccccc21 ZINC001231880937 1034964741 /nfs/dbraw/zinc/96/47/41/1034964741.db2.gz ORRKFHFRQJEPLL-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CSCc1ccc(C)cc1 ZINC001161134825 1035154966 /nfs/dbraw/zinc/15/49/66/1035154966.db2.gz PECXBXHAJUYXNP-NRFANRHFSA-N 0 3 385.577 3.670 20 10 GHCDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1C ZINC001232204352 1035159987 /nfs/dbraw/zinc/15/99/87/1035159987.db2.gz LKMZTINIEYKTOT-WMZOPIPTSA-N 0 3 394.943 3.588 20 10 GHCDHN CCOC(=O)CCC1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232407318 1038188881 /nfs/dbraw/zinc/18/88/81/1038188881.db2.gz NBIIWIXUKKGWEI-UHFFFAOYSA-N 0 3 386.492 3.520 20 10 GHCDHN CCCc1noc([C@@H]2CCCN(Cc3c4ccccc4n(C)c3C(=O)OC)C2)n1 ZINC001232405380 1038189462 /nfs/dbraw/zinc/18/94/62/1038189462.db2.gz JIWSQASNASBGCM-OAHLLOKOSA-N 0 3 396.491 3.680 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2c(F)cc(F)cc2F)CC1 ZINC001247455808 1038198344 /nfs/dbraw/zinc/19/83/44/1038198344.db2.gz OOEWRQDYSLMCLY-UHFFFAOYSA-N 0 3 395.450 3.761 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cc(C)cc(O)c4)C3)C2)cc1 ZINC001232877890 1038650360 /nfs/dbraw/zinc/65/03/60/1038650360.db2.gz DSSQIHADYAQPIU-XMMPIXPASA-N 0 3 396.531 3.828 20 10 GHCDHN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001233105903 1038891053 /nfs/dbraw/zinc/89/10/53/1038891053.db2.gz DHOOGLRPIMLAEW-AWEZNQCLSA-N 0 3 383.330 3.544 20 10 GHCDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001233105903 1038891072 /nfs/dbraw/zinc/89/10/72/1038891072.db2.gz DHOOGLRPIMLAEW-AWEZNQCLSA-N 0 3 383.330 3.544 20 10 GHCDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233107121 1038891299 /nfs/dbraw/zinc/89/12/99/1038891299.db2.gz AIUJRQHEGCZQPA-FUHWJXTLSA-N 0 3 384.314 3.623 20 10 GHCDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1cccc(OC(F)(F)F)c1O ZINC001233727287 1039569614 /nfs/dbraw/zinc/56/96/14/1039569614.db2.gz LQPYYVSIXXZGPQ-UHFFFAOYSA-N 0 3 378.391 3.590 20 10 GHCDHN O=C(C1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1)N1CCCCC1 ZINC001233761342 1039595107 /nfs/dbraw/zinc/59/51/07/1039595107.db2.gz RVYIJXKQSQZSFP-UHFFFAOYSA-N 0 3 386.414 3.515 20 10 GHCDHN [O-]c1c(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233775871 1039605631 /nfs/dbraw/zinc/60/56/31/1039605631.db2.gz FILRWWZOKYSLTN-IYBDPMFKSA-N 0 3 378.394 3.859 20 10 GHCDHN [O-]c1c(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233775871 1039605640 /nfs/dbraw/zinc/60/56/40/1039605640.db2.gz FILRWWZOKYSLTN-IYBDPMFKSA-N 0 3 378.394 3.859 20 10 GHCDHN Oc1c(CN2CCC(Oc3ccc(F)cn3)CC2)cccc1OC(F)(F)F ZINC001233776476 1039608013 /nfs/dbraw/zinc/60/80/13/1039608013.db2.gz UEQZMPZYTSDHRT-UHFFFAOYSA-N 0 3 386.345 3.868 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536253 1040108103 /nfs/dbraw/zinc/10/81/03/1040108103.db2.gz MLIFDQABSMLNPQ-GAJHUEQPSA-N 0 3 385.504 3.962 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536253 1040108112 /nfs/dbraw/zinc/10/81/12/1040108112.db2.gz MLIFDQABSMLNPQ-GAJHUEQPSA-N 0 3 385.504 3.962 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H]3CCCN(c4ccc(C)cn4)C3)cc2)CC1 ZINC001234661168 1040195264 /nfs/dbraw/zinc/19/52/64/1040195264.db2.gz QQBRBVALKVPBPM-QFIPXVFZSA-N 0 3 380.536 3.580 20 10 GHCDHN CCCCOC[C@H](C)OC[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661897 1040197165 /nfs/dbraw/zinc/19/71/65/1040197165.db2.gz XAFKNZVQELEUAG-PMACEKPBSA-N 0 3 378.557 3.818 20 10 GHCDHN CCOC[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)Cc2c1cnn2C ZINC001235001573 1040495057 /nfs/dbraw/zinc/49/50/57/1040495057.db2.gz NLSRABIXRNWSPE-LJQANCHMSA-N 0 3 377.488 3.929 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c([O-])c1Cl ZINC001235385275 1040904959 /nfs/dbraw/zinc/90/49/59/1040904959.db2.gz UNLSIXZGKQIVPC-XMSQKQJNSA-N 0 3 386.923 3.807 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc(N)c(F)c4)C3)C2)cc1 ZINC001235492777 1040960015 /nfs/dbraw/zinc/96/00/15/1040960015.db2.gz IESCAYHCWVTVIX-HSZRJFAPSA-N 0 3 399.510 3.536 20 10 GHCDHN Cc1cnc2n1CCN(C)C21CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235678389 1041138842 /nfs/dbraw/zinc/13/88/42/1041138842.db2.gz HETOPXMZXWPTDN-UHFFFAOYSA-N 0 3 382.552 3.631 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235677763 1041139470 /nfs/dbraw/zinc/13/94/70/1041139470.db2.gz HQNRCPAOSGCHBB-GOSISDBHSA-N 0 3 376.541 3.585 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235677763 1041139485 /nfs/dbraw/zinc/13/94/85/1041139485.db2.gz HQNRCPAOSGCHBB-GOSISDBHSA-N 0 3 376.541 3.585 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c([O-])c1 ZINC001235681074 1041142694 /nfs/dbraw/zinc/14/26/94/1041142694.db2.gz ZRKSWYLBSICSDL-NHCUHLMSSA-N 0 3 393.531 3.850 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c([O-])c1 ZINC001235681074 1041142703 /nfs/dbraw/zinc/14/27/03/1041142703.db2.gz ZRKSWYLBSICSDL-NHCUHLMSSA-N 0 3 393.531 3.850 20 10 GHCDHN Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC3)cn1 ZINC001235684656 1041154336 /nfs/dbraw/zinc/15/43/36/1041154336.db2.gz ZCKPVAAREFBGJV-GOSISDBHSA-N 0 3 383.536 3.962 20 10 GHCDHN [O-]c1cccc(Br)c1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300734 1041664413 /nfs/dbraw/zinc/66/44/13/1041664413.db2.gz XVZDSGMFJHKRQG-UHFFFAOYSA-N 0 3 375.310 3.909 20 10 GHCDHN Cc1cccc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC001256237066 1041671086 /nfs/dbraw/zinc/67/10/86/1041671086.db2.gz QCNSOWBIPORUIU-QFIPXVFZSA-N 0 3 382.552 3.814 20 10 GHCDHN OC[C@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1C(F)(F)F ZINC001236780069 1041888145 /nfs/dbraw/zinc/88/81/45/1041888145.db2.gz XRQLAFPVWLNAQA-AEFFLSMTSA-N 0 3 381.394 3.574 20 10 GHCDHN CCc1ccc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c(O)c1 ZINC001236786685 1041893422 /nfs/dbraw/zinc/89/34/22/1041893422.db2.gz GRENSFHZXRNWME-MQSCRBSSSA-N 0 3 382.504 3.546 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CCC[C@@H](F)CC3)cc2C1 ZINC001236847498 1041927006 /nfs/dbraw/zinc/92/70/06/1041927006.db2.gz OVJZNGFJTHVTTB-QGZVFWFLSA-N 0 3 394.487 3.846 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CCC[C@@H](F)CC3)cc2C1 ZINC001236847498 1041927007 /nfs/dbraw/zinc/92/70/07/1041927007.db2.gz OVJZNGFJTHVTTB-QGZVFWFLSA-N 0 3 394.487 3.846 20 10 GHCDHN Clc1cc(N2CCOCC2)ccc1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001236931204 1041963454 /nfs/dbraw/zinc/96/34/54/1041963454.db2.gz QQZKAZZKKZRGSG-WOJBJXKFSA-N 0 3 397.950 3.745 20 10 GHCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)Cc1cccc2cccnc21 ZINC001236934183 1041964103 /nfs/dbraw/zinc/96/41/03/1041964103.db2.gz DRXGPDJBQHXBAS-UHFFFAOYSA-N 0 3 378.495 3.758 20 10 GHCDHN CN1CCN(c2ccc(CN3CCSC[C@H]3c3ccccc3)c(F)c2)CC1 ZINC001236934064 1041964226 /nfs/dbraw/zinc/96/42/26/1041964226.db2.gz CELKYVVTAYEYQI-QFIPXVFZSA-N 0 3 385.552 3.868 20 10 GHCDHN COc1ccc(C2=CCN(Cc3ccc(N4CCN(C)CC4)cc3F)CC2)cc1 ZINC001236946247 1041966889 /nfs/dbraw/zinc/96/68/89/1041966889.db2.gz NLLBIWCVEXAZQW-UHFFFAOYSA-N 0 3 395.522 3.875 20 10 GHCDHN Oc1ccc2cc(Br)ccc2c1CN1CCN[C@H](C(F)(F)F)C1 ZINC001236994341 1041981905 /nfs/dbraw/zinc/98/19/05/1041981905.db2.gz BPOTUMVHMOUPSY-HNNXBMFYSA-N 0 3 389.215 3.644 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237040613 1042000537 /nfs/dbraw/zinc/00/05/37/1042000537.db2.gz IRUSTVSYKSMJHN-QPPBQGQZSA-N 0 3 394.515 3.629 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237040613 1042000546 /nfs/dbraw/zinc/00/05/46/1042000546.db2.gz IRUSTVSYKSMJHN-QPPBQGQZSA-N 0 3 394.515 3.629 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001237041815 1042001706 /nfs/dbraw/zinc/00/17/06/1042001706.db2.gz UYXYQCHWSOCMNE-NRFANRHFSA-N 0 3 386.517 3.790 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001237041815 1042001712 /nfs/dbraw/zinc/00/17/12/1042001712.db2.gz UYXYQCHWSOCMNE-NRFANRHFSA-N 0 3 386.517 3.790 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001237049506 1042008768 /nfs/dbraw/zinc/00/87/68/1042008768.db2.gz GXVADYHUHLYDQG-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001237049506 1042008777 /nfs/dbraw/zinc/00/87/77/1042008777.db2.gz GXVADYHUHLYDQG-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN Cc1ccc(N2CCN(Cc3ccc(OCC(F)(F)F)cc3O)CC2)cc1 ZINC001237052457 1042010892 /nfs/dbraw/zinc/01/08/92/1042010892.db2.gz ZVPJKUXGGKJHJU-UHFFFAOYSA-N 0 3 380.410 3.964 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001237061095 1042015639 /nfs/dbraw/zinc/01/56/39/1042015639.db2.gz FQMHDKUYMGEMAL-QGZVFWFLSA-N 0 3 382.382 3.772 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001237061095 1042015643 /nfs/dbraw/zinc/01/56/43/1042015643.db2.gz FQMHDKUYMGEMAL-QGZVFWFLSA-N 0 3 382.382 3.772 20 10 GHCDHN CCOC(=O)C1(CC)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237063905 1042017636 /nfs/dbraw/zinc/01/76/36/1042017636.db2.gz WYDIBLUXGCCSCT-UHFFFAOYSA-N 0 3 389.414 3.889 20 10 GHCDHN Cc1cccc(O)c1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001237495254 1042235398 /nfs/dbraw/zinc/23/53/98/1042235398.db2.gz NXVUSMQYUWAPJU-HUUCEWRRSA-N 0 3 388.430 3.978 20 10 GHCDHN Cc1cc(C)nc(N2CCN(Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)n1 ZINC001237644359 1042301126 /nfs/dbraw/zinc/30/11/26/1042301126.db2.gz XXYQGHTYOZEBLK-UHFFFAOYSA-N 0 3 392.478 3.927 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001237647350 1042301916 /nfs/dbraw/zinc/30/19/16/1042301916.db2.gz UEMIBWKXAMHKLZ-UHFFFAOYSA-N 0 3 378.451 3.701 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC001237647350 1042301925 /nfs/dbraw/zinc/30/19/25/1042301925.db2.gz UEMIBWKXAMHKLZ-UHFFFAOYSA-N 0 3 378.451 3.701 20 10 GHCDHN COc1cc(C)nc(OC2CCN(Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC001237687443 1042327892 /nfs/dbraw/zinc/32/78/92/1042327892.db2.gz BEBWWCRFQWGZMP-UHFFFAOYSA-N 0 3 377.872 3.504 20 10 GHCDHN COc1ccc(NC(=O)NC2CCN(Cc3cc(F)cc(C)c3O)CC2)cc1 ZINC001238066071 1042480742 /nfs/dbraw/zinc/48/07/42/1042480742.db2.gz HNPUEEFYBHQFDI-UHFFFAOYSA-N 0 3 387.455 3.634 20 10 GHCDHN C[N@H+](Cc1cc2cncc(I)c2o1)Cc1ccccc1[O-] ZINC001238271680 1042537812 /nfs/dbraw/zinc/53/78/12/1042537812.db2.gz BZNSNVRHDFRVII-UHFFFAOYSA-N 0 3 394.212 3.770 20 10 GHCDHN C[N@@H+](Cc1cc2cncc(I)c2o1)Cc1ccccc1[O-] ZINC001238271680 1042537814 /nfs/dbraw/zinc/53/78/14/1042537814.db2.gz BZNSNVRHDFRVII-UHFFFAOYSA-N 0 3 394.212 3.770 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(N=NC(N)=O)cc3)c2)CC1 ZINC001296015732 1045222459 /nfs/dbraw/zinc/22/24/59/1045222459.db2.gz ZPQFZVWBFXLPHM-UHFFFAOYSA-N 0 3 394.479 3.632 20 10 GHCDHN O=[N+]([O-])c1cc(CNC[C@H]2COc3ccccc3O2)ccc1N1CCCCC1 ZINC000743625021 1045395319 /nfs/dbraw/zinc/39/53/19/1045395319.db2.gz UUFRLDSYSPXNTF-KRWDZBQOSA-N 0 3 383.448 3.515 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1[O-] ZINC001279281199 1047755319 /nfs/dbraw/zinc/75/53/19/1047755319.db2.gz IAFWVVOYQXUXEL-IRXDYDNUSA-N 0 3 395.341 3.755 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1[O-] ZINC001279281199 1047755322 /nfs/dbraw/zinc/75/53/22/1047755322.db2.gz IAFWVVOYQXUXEL-IRXDYDNUSA-N 0 3 395.341 3.755 20 10 GHCDHN COc1ccc(CN2CC[C@H]3C[N@H+](Cc4scnc4C)C[C@H]32)c([O-])c1Cl ZINC001279665965 1047905676 /nfs/dbraw/zinc/90/56/76/1047905676.db2.gz VQQSVHQIACFDCR-DZGCQCFKSA-N 0 3 393.940 3.525 20 10 GHCDHN COc1ccc(CN2CC[C@H]3C[N@@H+](Cc4scnc4C)C[C@H]32)c([O-])c1Cl ZINC001279665965 1047905679 /nfs/dbraw/zinc/90/56/79/1047905679.db2.gz VQQSVHQIACFDCR-DZGCQCFKSA-N 0 3 393.940 3.525 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cncc(-c3ccccc3)c2)N(C)C)cc1 ZINC001463278939 1070958897 /nfs/dbraw/zinc/95/88/97/1070958897.db2.gz HTBBHLJGGPLHQL-QHCPKHFHSA-N 0 3 388.515 3.847 20 10 GHCDHN CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753533770 1049725626 /nfs/dbraw/zinc/72/56/26/1049725626.db2.gz WRMSVGSIKURKGQ-HXUWFJFHSA-N 0 3 382.504 3.708 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001308852932 1050125048 /nfs/dbraw/zinc/12/50/48/1050125048.db2.gz XFBSEPCMOGENOR-AOMKIAJQSA-N 0 3 390.524 3.836 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001308852932 1050125053 /nfs/dbraw/zinc/12/50/53/1050125053.db2.gz XFBSEPCMOGENOR-AOMKIAJQSA-N 0 3 390.524 3.836 20 10 GHCDHN CC[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC(F)(F)F ZINC001312879598 1052901508 /nfs/dbraw/zinc/90/15/08/1052901508.db2.gz OZRMDPAEUUZJKU-YOEHRIQHSA-N 0 3 388.478 3.633 20 10 GHCDHN CC[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC(F)(F)F ZINC001312879595 1052901554 /nfs/dbraw/zinc/90/15/54/1052901554.db2.gz OZRMDPAEUUZJKU-PBHICJAKSA-N 0 3 388.478 3.633 20 10 GHCDHN COc1ccc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001313411884 1053046236 /nfs/dbraw/zinc/04/62/36/1053046236.db2.gz KBOYHELMBRVFBA-OAQYLSRUSA-N 0 3 398.551 3.514 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001313417128 1053048276 /nfs/dbraw/zinc/04/82/76/1053048276.db2.gz RFQVCCZIGVZKNL-UPVQGACJSA-N 0 3 394.563 3.906 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1[O-] ZINC000848513053 1057142242 /nfs/dbraw/zinc/14/22/42/1057142242.db2.gz CTTCNEDBMSLKPG-DGCLKSJQSA-N 0 3 394.265 3.654 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1[O-] ZINC000848523782 1057148173 /nfs/dbraw/zinc/14/81/73/1057148173.db2.gz MVVJSEZBTGMSIK-ABAIWWIYSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)c1[O-] ZINC000848525693 1057149418 /nfs/dbraw/zinc/14/94/18/1057149418.db2.gz SJBARTDVCNHICR-RYUDHWBXSA-N 0 3 382.302 3.655 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@@H](CO)c2cccc(F)c2)c1O ZINC000848534092 1057155399 /nfs/dbraw/zinc/15/53/99/1057155399.db2.gz MQJBHJPMFLDXRZ-BONVTDFDSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCNc2cccc(C)n2)c1[O-] ZINC000848534883 1057157281 /nfs/dbraw/zinc/15/72/81/1057157281.db2.gz VZMRYBAWJPUZJQ-GFCCVEGCSA-N 0 3 380.286 3.629 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(F)F)cc2)N(C)C)cc1 ZINC001439961229 1058368980 /nfs/dbraw/zinc/36/89/80/1058368980.db2.gz QBTMETHMLFYWMG-LJQANCHMSA-N 0 3 375.463 3.897 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1CS(=O)(=O)NC(C)C ZINC001200244726 1065724477 /nfs/dbraw/zinc/72/44/77/1065724477.db2.gz XUWGBGIBHYSDAQ-UHFFFAOYSA-N 0 3 399.560 3.604 20 10 GHCDHN Cc1cc(Br)cc(CNc2ccc([C@@H]3CNCCO3)cc2)c1O ZINC000849352569 1067817981 /nfs/dbraw/zinc/81/79/81/1067817981.db2.gz OJOXRMKCZNKDQV-KRWDZBQOSA-N 0 3 377.282 3.736 20 10 GHCDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001469853475 1068429978 /nfs/dbraw/zinc/42/99/78/1068429978.db2.gz JJWHXKVDCOUOHM-UXHICEINSA-N 0 3 394.563 3.977 20 10 GHCDHN CC(C)CC1(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001460488288 1068977650 /nfs/dbraw/zinc/97/76/50/1068977650.db2.gz NFWYPIPPGOLANZ-UHFFFAOYSA-N 0 3 376.456 3.569 20 10 GHCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC(F)(F)CC1 ZINC001478889625 1079015795 /nfs/dbraw/zinc/01/57/95/1079015795.db2.gz ZWKUAMWOQBXBSF-BEFAXECRSA-N 0 3 396.526 3.869 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](c3ccccc3F)C2)N(C)C)cc1 ZINC001471546879 1073125659 /nfs/dbraw/zinc/12/56/59/1073125659.db2.gz GTHXZEJMRLWXTK-PGRDOPGGSA-N 0 3 398.526 3.694 20 10 GHCDHN CN(C)C(=O)Sc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000176856147 834693114 /nfs/dbraw/zinc/69/31/14/834693114.db2.gz IAHMLDKBDKFDRY-UHFFFAOYSA-N 0 3 399.560 3.929 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cccc(NC(C)=O)c3)cc2F)CC1 ZINC000155255366 836660843 /nfs/dbraw/zinc/66/08/43/836660843.db2.gz TZFNXGIYDOKXRC-KRWDZBQOSA-N 0 3 398.526 3.777 20 10 GHCDHN CC[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000155320916 836801759 /nfs/dbraw/zinc/80/17/59/836801759.db2.gz BPAOMURLGFESFX-QGZVFWFLSA-N 0 3 376.522 3.710 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382444497 838628350 /nfs/dbraw/zinc/62/83/50/838628350.db2.gz IQQJXXLOPUOALS-DOMZBBRYSA-N 0 3 384.904 3.837 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382444753 838724817 /nfs/dbraw/zinc/72/48/17/838724817.db2.gz IQQJXXLOPUOALS-WFASDCNBSA-N 0 3 384.904 3.837 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)C1CCCC1 ZINC000378530809 839276144 /nfs/dbraw/zinc/27/61/44/839276144.db2.gz GBZWEDKFGWUEPR-OAHLLOKOSA-N 0 3 386.471 3.763 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)C1CCCC1 ZINC000378530809 839276160 /nfs/dbraw/zinc/27/61/60/839276160.db2.gz GBZWEDKFGWUEPR-OAHLLOKOSA-N 0 3 386.471 3.763 20 10 GHCDHN COC[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000312283872 840148292 /nfs/dbraw/zinc/14/82/92/840148292.db2.gz OOUCEGOQWZQUEX-VBKZILBWSA-N 0 3 382.476 3.598 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000155894686 840372343 /nfs/dbraw/zinc/37/23/43/840372343.db2.gz MMNCDHXOGGWLEM-KBXCAEBGSA-N 0 3 397.357 3.696 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000165181047 843065313 /nfs/dbraw/zinc/06/53/13/843065313.db2.gz SEVALOSXIBTYMB-IBGZPJMESA-N 0 3 388.483 3.920 20 10 GHCDHN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000731448982 861623663 /nfs/dbraw/zinc/62/36/63/861623663.db2.gz HFHKPAOUCPDHEM-UHFFFAOYSA-N 0 3 389.337 3.951 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1O ZINC000273764976 847437019 /nfs/dbraw/zinc/43/70/19/847437019.db2.gz PUJLXWKHVQBIHO-UHFFFAOYSA-N 0 3 390.867 3.611 20 10 GHCDHN C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)Cc1ccccc1 ZINC000732470277 862306680 /nfs/dbraw/zinc/30/66/80/862306680.db2.gz XLKVZVHIRFUMFT-LJQANCHMSA-N 0 3 394.563 3.947 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000761215442 859334042 /nfs/dbraw/zinc/33/40/42/859334042.db2.gz LNBNSHNFGJJLGW-MAUKXSAKSA-N 0 3 395.286 3.769 20 10 GHCDHN O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc([O-])ccc1Cl ZINC000764438740 859449989 /nfs/dbraw/zinc/44/99/89/859449989.db2.gz QYIFCLDOKSDAJD-UHFFFAOYSA-N 0 3 385.895 3.830 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000161187777 859692758 /nfs/dbraw/zinc/69/27/58/859692758.db2.gz COYCOBJNLGIKKW-SFHVURJKSA-N 0 3 396.535 3.934 20 10 GHCDHN CNC(=O)COc1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000765241805 859860757 /nfs/dbraw/zinc/86/07/57/859860757.db2.gz ZYNFIEJFUMXCHT-KRWDZBQOSA-N 0 3 399.510 3.792 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCSc4c(F)cccc43)cc2)C1 ZINC000765256689 859874160 /nfs/dbraw/zinc/87/41/60/859874160.db2.gz VUNXGMVFOJNORV-OXQOHEQNSA-N 0 3 399.535 3.854 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnc2ccsc2c1 ZINC000765257128 859875163 /nfs/dbraw/zinc/87/51/63/859875163.db2.gz WPGSBZHSVMTZOP-NVXWUHKLSA-N 0 3 394.544 3.849 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccsc1 ZINC000765277719 859881761 /nfs/dbraw/zinc/88/17/61/859881761.db2.gz UXGWFNQGRVSYQN-INIZCTEOSA-N 0 3 397.523 3.855 20 10 GHCDHN CCc1nsc(N2CCC[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)n1 ZINC000173558890 864875569 /nfs/dbraw/zinc/87/55/69/864875569.db2.gz GHNKZSWUNAITDZ-UHFFFAOYSA-N 0 3 398.532 3.680 20 10 GHCDHN CCc1nsc(N2CCC[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)n1 ZINC000173558890 864875588 /nfs/dbraw/zinc/87/55/88/864875588.db2.gz GHNKZSWUNAITDZ-UHFFFAOYSA-N 0 3 398.532 3.680 20 10 GHCDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC(C)C ZINC000121296618 865060600 /nfs/dbraw/zinc/06/06/00/865060600.db2.gz LHEYTJJHXJFXPD-UHFFFAOYSA-N 0 3 384.520 3.951 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000741785155 866787821 /nfs/dbraw/zinc/78/78/21/866787821.db2.gz NNFZTELHVPHYHH-MJGOQNOKSA-N 0 3 390.524 3.630 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000741785155 866787833 /nfs/dbraw/zinc/78/78/33/866787833.db2.gz NNFZTELHVPHYHH-MJGOQNOKSA-N 0 3 390.524 3.630 20 10 GHCDHN CC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccccc1[O-] ZINC000793558149 882264969 /nfs/dbraw/zinc/26/49/69/882264969.db2.gz CSGDRKSVKBNZIQ-WMZHIEFXSA-N 0 3 393.487 3.858 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1cccc(C)c1)C(C)(C)C)cc2=O ZINC000775523145 870296638 /nfs/dbraw/zinc/29/66/38/870296638.db2.gz FCXNGHRTPPTTLI-LJQANCHMSA-N 0 3 396.491 3.797 20 10 GHCDHN COc1ccc(Cn2nc(C)c(CNCc3cc(OC)ccc3O)c2C)cc1 ZINC000766440671 870770477 /nfs/dbraw/zinc/77/04/77/870770477.db2.gz ZVDNRGANHOGLAK-UHFFFAOYSA-N 0 3 381.476 3.561 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000182327395 872214467 /nfs/dbraw/zinc/21/44/67/872214467.db2.gz IFPABVUNZSTXFN-ZDUSSCGKSA-N 0 3 399.516 3.892 20 10 GHCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC001195791222 872665792 /nfs/dbraw/zinc/66/57/92/872665792.db2.gz ZPNIDDDLVLLXDX-LJQANCHMSA-N 0 3 382.426 3.816 20 10 GHCDHN CC(C)c1ccc(OC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)cc1 ZINC000768439040 873303036 /nfs/dbraw/zinc/30/30/36/873303036.db2.gz FUMRJXLUNNVIKE-JOCHJYFZSA-N 0 3 383.488 3.985 20 10 GHCDHN CC(C)[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443231 873307313 /nfs/dbraw/zinc/30/73/13/873307313.db2.gz RUKNMUSMBMMRPM-SFHVURJKSA-N 0 3 392.293 3.991 20 10 GHCDHN CC(C)[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443231 873307329 /nfs/dbraw/zinc/30/73/29/873307329.db2.gz RUKNMUSMBMMRPM-SFHVURJKSA-N 0 3 392.293 3.991 20 10 GHCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3cccc(Br)c3)CCC1)[C@H](O)CO2 ZINC000768445217 873308820 /nfs/dbraw/zinc/30/88/20/873308820.db2.gz QVEXDAJKNXVGDG-QGZVFWFLSA-N 0 3 390.277 3.750 20 10 GHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1Br)[C@@H](O)CO2 ZINC000768464206 873327795 /nfs/dbraw/zinc/32/77/95/873327795.db2.gz OLYLVMFDQQCSPC-AEFFLSMTSA-N 0 3 390.277 3.918 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c([O-])c1 ZINC000768527909 873361307 /nfs/dbraw/zinc/36/13/07/873361307.db2.gz CKWMNNGDRVWSRP-LJQANCHMSA-N 0 3 383.492 3.967 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c([O-])c1 ZINC000768527909 873361317 /nfs/dbraw/zinc/36/13/17/873361317.db2.gz CKWMNNGDRVWSRP-LJQANCHMSA-N 0 3 383.492 3.967 20 10 GHCDHN CN(Cc1cc(Br)c2c(c1)OCCCO2)Cc1ccccc1O ZINC000768874053 873638207 /nfs/dbraw/zinc/63/82/07/873638207.db2.gz ZLFAUXNXSYELMT-UHFFFAOYSA-N 0 3 378.266 3.948 20 10 GHCDHN C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)Cc1ccccc1[O-] ZINC000768874053 873638211 /nfs/dbraw/zinc/63/82/11/873638211.db2.gz ZLFAUXNXSYELMT-UHFFFAOYSA-N 0 3 378.266 3.948 20 10 GHCDHN C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)Cc1ccccc1[O-] ZINC000768874053 873638215 /nfs/dbraw/zinc/63/82/15/873638215.db2.gz ZLFAUXNXSYELMT-UHFFFAOYSA-N 0 3 378.266 3.948 20 10 GHCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000775774640 873838304 /nfs/dbraw/zinc/83/83/04/873838304.db2.gz PUPRPFWYWBMTJU-LJQANCHMSA-N 0 3 380.536 3.607 20 10 GHCDHN COc1cc(Br)cc(CNC2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000769933179 874374516 /nfs/dbraw/zinc/37/45/16/874374516.db2.gz CJOKSMZIBSKPTI-UHFFFAOYSA-N 0 3 392.249 3.671 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OCC4CC4)cc3)c2)CC1 ZINC000770146920 874497654 /nfs/dbraw/zinc/49/76/54/874497654.db2.gz JKPYHEJEEWYTHS-UHFFFAOYSA-N 0 3 379.504 3.870 20 10 GHCDHN Oc1ccccc1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000770505246 874710294 /nfs/dbraw/zinc/71/02/94/874710294.db2.gz LMIYBTXFCXNUGR-UHFFFAOYSA-N 0 3 379.273 3.612 20 10 GHCDHN Cc1cc2ncc([C@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000772443677 875962644 /nfs/dbraw/zinc/96/26/44/875962644.db2.gz BCMNIOXQLSQXQD-SJORKVTESA-N 0 3 379.508 3.595 20 10 GHCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1Cc1ccccc1 ZINC000151865139 876036033 /nfs/dbraw/zinc/03/60/33/876036033.db2.gz YOKGGGMOBMIMBJ-DENIHFKCSA-N 0 3 390.531 3.525 20 10 GHCDHN Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000786577679 876767576 /nfs/dbraw/zinc/76/75/76/876767576.db2.gz CNGJSDYUUMMFGK-JOCHJYFZSA-N 0 3 377.484 3.973 20 10 GHCDHN Fc1cc(CNCc2cc3ccncc3s2)cc(F)c1N1CCOCC1 ZINC000850322763 876809448 /nfs/dbraw/zinc/80/94/48/876809448.db2.gz GSPLWKQBYNETAK-UHFFFAOYSA-N 0 3 375.444 3.701 20 10 GHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(-n4cncn4)cc3Cl)C2)cc1 ZINC000850489425 876966146 /nfs/dbraw/zinc/96/61/46/876966146.db2.gz UEFFXQYSLZRRIE-HOTGVXAUSA-N 0 3 397.910 3.859 20 10 GHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3cc(Br)ncc3F)C2)cc1 ZINC000850489660 876967773 /nfs/dbraw/zinc/96/77/73/876967773.db2.gz WIYLIRDYRGXWHT-OLZOCXBDSA-N 0 3 394.288 3.921 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000850558172 877025566 /nfs/dbraw/zinc/02/55/66/877025566.db2.gz UYHQNMNNSYUOKD-GGAORHGYSA-N 0 3 380.532 3.909 20 10 GHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)cc1)CCCO2 ZINC000850567026 877034875 /nfs/dbraw/zinc/03/48/75/877034875.db2.gz WMNPUCHZBBTBAA-JOCHJYFZSA-N 0 3 382.504 3.660 20 10 GHCDHN O=C1Nc2ccccc2S[C@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841467 877937473 /nfs/dbraw/zinc/93/74/73/877937473.db2.gz SKCQHYANRATPIH-UWJYYQICSA-N 0 3 398.528 3.876 20 10 GHCDHN O=C1Nc2ccccc2S[C@H]1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841467 877937482 /nfs/dbraw/zinc/93/74/82/877937482.db2.gz SKCQHYANRATPIH-UWJYYQICSA-N 0 3 398.528 3.876 20 10 GHCDHN O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)Nc1cccc(F)c1 ZINC000180018001 878383619 /nfs/dbraw/zinc/38/36/19/878383619.db2.gz WQNDAZBAMYZLFW-CQSZACIVSA-N 0 3 375.419 3.704 20 10 GHCDHN O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)Nc1cccc(F)c1 ZINC000180018001 878383633 /nfs/dbraw/zinc/38/36/33/878383633.db2.gz WQNDAZBAMYZLFW-CQSZACIVSA-N 0 3 375.419 3.704 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(s1)CCNC2 ZINC000852812368 878614753 /nfs/dbraw/zinc/61/47/53/878614753.db2.gz VJLBSDJMLUYLFY-UHFFFAOYSA-N 0 3 395.322 3.524 20 10 GHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC ZINC000173346554 881319523 /nfs/dbraw/zinc/31/95/23/881319523.db2.gz RGHNRGMLPRFICQ-KRWDZBQOSA-N 0 3 384.520 3.763 20 10 GHCDHN Cn1ccnc1[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000183289086 883276703 /nfs/dbraw/zinc/27/67/03/883276703.db2.gz IGLIMIYRNCNMRY-YJBOKZPZSA-N 0 3 376.451 3.731 20 10 GHCDHN C[NH+](C)CCCOc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168523999 884077815 /nfs/dbraw/zinc/07/78/15/884077815.db2.gz USZZTQMETXSOOD-UHFFFAOYSA-N 0 3 386.883 3.931 20 10 GHCDHN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])c1ccccc1 ZINC000795848841 912908156 /nfs/dbraw/zinc/90/81/56/912908156.db2.gz AFAPSWZBEQREAA-SUMWQHHRSA-N 0 3 391.309 3.991 20 10 GHCDHN CC1CCN(CCNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1 ZINC000919656651 886078091 /nfs/dbraw/zinc/07/80/91/886078091.db2.gz DBMKSWFLEYQYFD-UHFFFAOYSA-N 0 3 398.551 3.789 20 10 GHCDHN CN(C)c1cc(F)c(CN(CCC(=O)OC(C)(C)C)C2CCOCC2)cc1F ZINC000862399126 886351155 /nfs/dbraw/zinc/35/11/55/886351155.db2.gz VPHPCSVCEPAJCV-UHFFFAOYSA-N 0 3 398.494 3.744 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1 ZINC001131319499 886392910 /nfs/dbraw/zinc/39/29/10/886392910.db2.gz PKBKVNHVRQBIIT-JOCHJYFZSA-N 0 3 395.547 3.810 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC000862484465 886404875 /nfs/dbraw/zinc/40/48/75/886404875.db2.gz PQKIMNWNHZSANC-HUUCEWRRSA-N 0 3 388.430 3.917 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC000862484465 886404886 /nfs/dbraw/zinc/40/48/86/886404886.db2.gz PQKIMNWNHZSANC-HUUCEWRRSA-N 0 3 388.430 3.917 20 10 GHCDHN COc1cc(C[C@@H](CO)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc(OC)c1 ZINC000808700057 886722315 /nfs/dbraw/zinc/72/23/15/886722315.db2.gz INIAWMLOWNXHIP-GOEBONIOSA-N 0 3 393.911 3.873 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000794564689 887391832 /nfs/dbraw/zinc/39/18/32/887391832.db2.gz GPDDGQWXXZQRIE-HZPDHXFCSA-N 0 3 377.492 3.821 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000811512319 889704414 /nfs/dbraw/zinc/70/44/14/889704414.db2.gz LSIIZWOFVKVAQA-PKOBYXMFSA-N 0 3 376.294 3.719 20 10 GHCDHN C[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154216424 890313699 /nfs/dbraw/zinc/31/36/99/890313699.db2.gz SUGMVSRPJSQRLQ-JTSKRJEESA-N 0 3 381.520 3.512 20 10 GHCDHN CC(=O)c1cccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000917014011 890744913 /nfs/dbraw/zinc/74/49/13/890744913.db2.gz MDGHDHYIQBDJKR-QFIPXVFZSA-N 0 3 384.520 3.606 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000812779707 890957210 /nfs/dbraw/zinc/95/72/10/890957210.db2.gz GFXAZCHNUSYODJ-OAQYLSRUSA-N 0 3 375.896 3.871 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000812779707 890957215 /nfs/dbraw/zinc/95/72/15/890957215.db2.gz GFXAZCHNUSYODJ-OAQYLSRUSA-N 0 3 375.896 3.871 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000812781060 890962323 /nfs/dbraw/zinc/96/23/23/890962323.db2.gz FJNQTXBSIQNKRA-HXUWFJFHSA-N 0 3 378.438 3.907 20 10 GHCDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1Cn1cccn1 ZINC000873014426 891428729 /nfs/dbraw/zinc/42/87/29/891428729.db2.gz QXTKJGQPGVYEJP-MRXNPFEDSA-N 0 3 390.487 3.676 20 10 GHCDHN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(OC(C)C)c1 ZINC001134686848 893201160 /nfs/dbraw/zinc/20/11/60/893201160.db2.gz YANUZUMGKZZBJH-OAQYLSRUSA-N 0 3 399.535 3.581 20 10 GHCDHN COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(OC(C)C)c1 ZINC001134686847 893202005 /nfs/dbraw/zinc/20/20/05/893202005.db2.gz YANUZUMGKZZBJH-NRFANRHFSA-N 0 3 399.535 3.581 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2nc3ccccc3s2)N(C)C)cc1 ZINC001134682005 893219081 /nfs/dbraw/zinc/21/90/81/893219081.db2.gz PYHATPZSJUFOSE-JKIKYLSZSA-N 0 3 394.544 3.795 20 10 GHCDHN COc1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825887583 893233199 /nfs/dbraw/zinc/23/31/99/893233199.db2.gz VIVGFIPSOLGHDH-HIFRSBDPSA-N 0 3 375.431 3.691 20 10 GHCDHN CCN(C)c1ccc(CN[C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000815116196 893448906 /nfs/dbraw/zinc/44/89/06/893448906.db2.gz DPTGQGLAOUQTGW-IBGZPJMESA-N 0 3 377.326 3.903 20 10 GHCDHN CCN(C)c1ccc(CN(Cc2cncs2)C2CCN(C(C)=O)CC2)cc1 ZINC000815120444 893452374 /nfs/dbraw/zinc/45/23/74/893452374.db2.gz IMRISQLIQPDRCQ-UHFFFAOYSA-N 0 3 386.565 3.612 20 10 GHCDHN COc1cc2ccccc2cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881641 893475979 /nfs/dbraw/zinc/47/59/79/893475979.db2.gz CDGSZCUZRHZGPL-QFIPXVFZSA-N 0 3 391.515 3.947 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2C(C)(C)C)N(C)C)cc1 ZINC001134882002 893504324 /nfs/dbraw/zinc/50/43/24/893504324.db2.gz JVPCJPWZBRUIGL-NRFANRHFSA-N 0 3 397.563 3.848 20 10 GHCDHN COc1ccccc1O[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877519631 893663207 /nfs/dbraw/zinc/66/32/07/893663207.db2.gz SZRBXEZFBCVJNH-JOCHJYFZSA-N 0 3 396.531 3.700 20 10 GHCDHN COc1ccc(O)c(CN2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)c1 ZINC000877751984 893789658 /nfs/dbraw/zinc/78/96/58/893789658.db2.gz AVXPBTSNQKCNFT-UHFFFAOYSA-N 0 3 390.549 3.724 20 10 GHCDHN COC1CCN(c2ccc(CN[C@@H](c3ccncc3)C3(CO)CCC3)cc2)CC1 ZINC000879008287 894779029 /nfs/dbraw/zinc/77/90/29/894779029.db2.gz RBUFSLANUOBIPC-QHCPKHFHSA-N 0 3 395.547 3.690 20 10 GHCDHN CCN(CC)C(=O)[C@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000818115951 896032219 /nfs/dbraw/zinc/03/22/19/896032219.db2.gz DSUMKQRXBYPPQB-WMZHIEFXSA-N 0 3 395.547 3.721 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@@H](O)c3c(F)cccc3F)cc2F)C[C@H](C)O1 ZINC000818966034 896271288 /nfs/dbraw/zinc/27/12/88/896271288.db2.gz HLMBIIXCPXICQN-LAPQFRIASA-N 0 3 394.437 3.541 20 10 GHCDHN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(NC2=NCCC2)cc1 ZINC001136282589 897071428 /nfs/dbraw/zinc/07/14/28/897071428.db2.gz PVUBFKGJIHCNJO-UHFFFAOYSA-N 0 3 394.544 3.774 20 10 GHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(N2CCCC2)n1 ZINC000289638724 914274898 /nfs/dbraw/zinc/27/48/98/914274898.db2.gz FNUGEHMATGEDRG-SFHVURJKSA-N 0 3 398.526 3.817 20 10 GHCDHN C[C@@H](CN(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000823399453 899011278 /nfs/dbraw/zinc/01/12/78/899011278.db2.gz DUKOLQBNMRIABK-KRWDZBQOSA-N 0 3 386.561 3.924 20 10 GHCDHN Oc1cc2c(cc1CN1CCC(c3nc(C(F)(F)F)cs3)CC1)OCO2 ZINC000824672631 899755575 /nfs/dbraw/zinc/75/55/75/899755575.db2.gz CXZWSVLOEGEYQA-UHFFFAOYSA-N 0 3 386.395 3.976 20 10 GHCDHN CN1CCN(c2ccc(NCc3ccc(Br)cc3O)cc2)CC1 ZINC000824984324 899929613 /nfs/dbraw/zinc/92/96/13/899929613.db2.gz WIHLYGGEQYSTET-UHFFFAOYSA-N 0 3 376.298 3.519 20 10 GHCDHN CC1(C)Cc2occc2[C@@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886746999 901251042 /nfs/dbraw/zinc/25/10/42/901251042.db2.gz ILXNMZMGMBBCDY-FQEVSTJZSA-N 0 3 381.520 3.785 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000779029959 903219180 /nfs/dbraw/zinc/21/91/80/903219180.db2.gz LYJBPMDCWRBALN-SUMWQHHRSA-N 0 3 389.293 3.919 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000779029956 903219815 /nfs/dbraw/zinc/21/98/15/903219815.db2.gz LYJBPMDCWRBALN-DYVFJYSZSA-N 0 3 389.293 3.919 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000779037964 903367423 /nfs/dbraw/zinc/36/74/23/903367423.db2.gz XSZPOHVZYHBZGP-DZGCQCFKSA-N 0 3 384.314 3.842 20 10 GHCDHN CCOc1cccc(CNC2(c3cccc(OC)c3F)CCOCC2)c1O ZINC000775045854 914731595 /nfs/dbraw/zinc/73/15/95/914731595.db2.gz BDCVBZSMSZLWRF-UHFFFAOYSA-N 0 3 375.440 3.734 20 10 GHCDHN O=C(c1cccc(O)c1[O-])N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001148218633 904010029 /nfs/dbraw/zinc/01/00/29/904010029.db2.gz IZBISGYPEDPYNM-UHFFFAOYSA-N 0 3 380.488 3.616 20 10 GHCDHN CCCNC(=O)C1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCCCC1 ZINC000779169649 905079082 /nfs/dbraw/zinc/07/90/82/905079082.db2.gz RHGSRRUWJIAGHW-UHFFFAOYSA-N 0 3 383.330 3.782 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000801550339 921122231 /nfs/dbraw/zinc/12/22/31/921122231.db2.gz VMTYNPIYEZSLMQ-OAQYLSRUSA-N 0 3 381.520 3.828 20 10 GHCDHN CC(C)OCC[C@@H](C)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001172459674 905575901 /nfs/dbraw/zinc/57/59/01/905575901.db2.gz KPYVGFSXRRKVHS-HXUWFJFHSA-N 0 3 383.536 3.986 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000801595868 921174399 /nfs/dbraw/zinc/17/43/99/921174399.db2.gz UTJQPOBRZSQHAF-MRXNPFEDSA-N 0 3 383.492 3.980 20 10 GHCDHN C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000186127594 907882424 /nfs/dbraw/zinc/88/24/24/907882424.db2.gz HUEMPHHAWNGZQF-BVGQSLNGSA-N 0 3 397.357 3.573 20 10 GHCDHN CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000187315067 908074225 /nfs/dbraw/zinc/07/42/25/908074225.db2.gz VZIPOSBXXBCDQS-LLVKDONJSA-N 0 3 382.302 3.618 20 10 GHCDHN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000773619665 908448269 /nfs/dbraw/zinc/44/82/69/908448269.db2.gz NHNLJCBUVMBZIS-XMSQKQJNSA-N 0 3 380.536 3.950 20 10 GHCDHN OC1CCN(c2ccc(CN3CC[C@H](Oc4ccccc4Cl)C3)cc2)CC1 ZINC001180219023 910021166 /nfs/dbraw/zinc/02/11/66/910021166.db2.gz IQDYISLOEKJSLP-FQEVSTJZSA-N 0 3 386.923 3.954 20 10 GHCDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303707608 915068854 /nfs/dbraw/zinc/06/88/54/915068854.db2.gz BZWGDZMOHRPKJK-FXAWDEMLSA-N 0 3 383.511 3.728 20 10 GHCDHN O=C(Nc1cccc(Cl)c1F)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001188427164 915936751 /nfs/dbraw/zinc/93/67/51/915936751.db2.gz YDLJXGVNLXNMGK-UHFFFAOYSA-N 0 3 377.847 3.971 20 10 GHCDHN Cc1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254319 916651061 /nfs/dbraw/zinc/65/10/61/916651061.db2.gz GRKUFEKRFNALBC-INIZCTEOSA-N 0 3 387.911 3.774 20 10 GHCDHN CC(C)CCC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257369 916685574 /nfs/dbraw/zinc/68/55/74/916685574.db2.gz IPDXAJPVVWQYGE-OALUTQOASA-N 0 3 375.557 3.505 20 10 GHCDHN Cc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000775259487 916699502 /nfs/dbraw/zinc/69/95/02/916699502.db2.gz UVEGBXLHTQJARK-WOJBJXKFSA-N 0 3 395.547 3.668 20 10 GHCDHN COCCC(=O)N1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000294940920 917062067 /nfs/dbraw/zinc/06/20/67/917062067.db2.gz XYKPNCAHBCKMPW-QFIPXVFZSA-N 0 3 396.531 3.683 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000775369431 917207745 /nfs/dbraw/zinc/20/77/45/917207745.db2.gz BSTIHAAZMCHHST-HZPDHXFCSA-N 0 3 382.504 3.808 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000298941480 921075047 /nfs/dbraw/zinc/07/50/47/921075047.db2.gz JSZLIVQPWRZZIK-UHFFFAOYSA-N 0 3 398.551 3.932 20 10 GHCDHN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCCC2)cc1 ZINC000368562543 922746906 /nfs/dbraw/zinc/74/69/06/922746906.db2.gz GOBBHURCMSTLOE-XMSQKQJNSA-N 0 3 382.552 3.984 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3nonc3c2)c1[O-] ZINC000903329168 922933137 /nfs/dbraw/zinc/93/31/37/922933137.db2.gz PZOBVEMCJDVHAZ-SECBINFHSA-N 0 3 378.226 3.550 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(CCc4cccs4)CC3)cc2)CC1 ZINC000827487505 925651385 /nfs/dbraw/zinc/65/13/85/925651385.db2.gz VFWYXSZMPKDHDW-UHFFFAOYSA-N 0 3 399.604 3.724 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382534982 926353959 /nfs/dbraw/zinc/35/39/59/926353959.db2.gz NTIQDQZZDPYEQV-GJZGRUSLSA-N 0 3 384.904 3.980 20 10 GHCDHN CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(OCC)cc3[O-])CC2)cc1 ZINC000725848556 926466407 /nfs/dbraw/zinc/46/64/07/926466407.db2.gz XNZUDGGKZCBWSL-UHFFFAOYSA-N 0 3 398.503 3.584 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000753566453 929422669 /nfs/dbraw/zinc/42/26/69/929422669.db2.gz QHODMYVJJHSFGF-UHFFFAOYSA-N 0 3 375.468 3.591 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000753569426 929423961 /nfs/dbraw/zinc/42/39/61/929423961.db2.gz DWJSUNMZGMUHTG-JTHBVZDNSA-N 0 3 393.483 3.545 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000753589128 929432451 /nfs/dbraw/zinc/43/24/51/929432451.db2.gz JAZRBGFNDQYOIC-YQQAZPJKSA-N 0 3 376.497 3.526 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000753589128 929432459 /nfs/dbraw/zinc/43/24/59/929432459.db2.gz JAZRBGFNDQYOIC-YQQAZPJKSA-N 0 3 376.497 3.526 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000753589133 929433082 /nfs/dbraw/zinc/43/30/82/929433082.db2.gz JAZRBGFNDQYOIC-ZOBUZTSGSA-N 0 3 376.497 3.526 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000753589133 929433090 /nfs/dbraw/zinc/43/30/90/929433090.db2.gz JAZRBGFNDQYOIC-ZOBUZTSGSA-N 0 3 376.497 3.526 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759568520 930406644 /nfs/dbraw/zinc/40/66/44/930406644.db2.gz GNRJOVPYOLZYSD-NVXWUHKLSA-N 0 3 390.578 3.760 20 10 GHCDHN OC1CCN(c2ccc(CNCc3c[nH]nc3-c3ccsc3)cc2F)CC1 ZINC000780511935 930537238 /nfs/dbraw/zinc/53/72/38/930537238.db2.gz TUTJTUHGYVCGTG-UHFFFAOYSA-N 0 3 386.496 3.528 20 10 GHCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1[O-] ZINC000690673302 930608487 /nfs/dbraw/zinc/60/84/87/930608487.db2.gz SPFZTSUPMXGUKO-RDJZCZTQSA-N 0 3 376.497 3.601 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000781570059 930891285 /nfs/dbraw/zinc/89/12/85/930891285.db2.gz UYEXEFUVUGTBHM-IBGZPJMESA-N 0 3 396.512 3.952 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000781570059 930891286 /nfs/dbraw/zinc/89/12/86/930891286.db2.gz UYEXEFUVUGTBHM-IBGZPJMESA-N 0 3 396.512 3.952 20 10 GHCDHN CC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1[O-] ZINC000796869236 932094861 /nfs/dbraw/zinc/09/48/61/932094861.db2.gz NONWWKKQVDPLHU-HXUWFJFHSA-N 0 3 385.483 3.792 20 10 GHCDHN CN(C)c1ccc([C@H](CN[C@@H]2CCCc3n[nH]cc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897375 932102472 /nfs/dbraw/zinc/10/24/72/932102472.db2.gz LRHCJSFYSRPDPW-QUCCMNQESA-N 0 3 399.539 3.709 20 10 GHCDHN COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000797883139 932442590 /nfs/dbraw/zinc/44/25/90/932442590.db2.gz OKWWGZWXFJUEEM-UHFFFAOYSA-N 0 3 390.483 3.516 20 10 GHCDHN Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000798492348 932670928 /nfs/dbraw/zinc/67/09/28/932670928.db2.gz CLYCUKAUKZGYPH-IBGZPJMESA-N 0 3 376.932 3.886 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2Cl)C1 ZINC000799981028 933199972 /nfs/dbraw/zinc/19/99/72/933199972.db2.gz TYGOXLAPYPAFOR-OXJNMPFZSA-N 0 3 385.939 3.763 20 10 GHCDHN CCCOc1ccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c(C)c1 ZINC001116746013 933733253 /nfs/dbraw/zinc/73/32/53/933733253.db2.gz CXKILIMEZYGAMU-UHFFFAOYSA-N 0 3 385.527 3.965 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000828511052 935648921 /nfs/dbraw/zinc/64/89/21/935648921.db2.gz IQLHCZNVFWHRRD-DEOSSOPVSA-N 0 3 379.548 3.791 20 10 GHCDHN Cc1cc(C(=O)CN2CCC[C@@H]2[C@H]2CCCOC2)c(C)n1-c1ccc(F)cn1 ZINC000828910545 935739220 /nfs/dbraw/zinc/73/92/20/935739220.db2.gz SDCNOUACCDUDHW-FXAWDEMLSA-N 0 3 385.483 3.702 20 10 GHCDHN CCOC(=O)C1(COC)CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000829376419 935803425 /nfs/dbraw/zinc/80/34/25/935803425.db2.gz IYNKEBJLUKNNNT-UHFFFAOYSA-N 0 3 388.552 3.777 20 10 GHCDHN Cc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137859303 935829744 /nfs/dbraw/zinc/82/97/44/935829744.db2.gz SCUROKVCKMDZQZ-NHCUHLMSSA-N 0 3 399.535 3.554 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)N(C)C)cc1 ZINC001227780599 1032602138 /nfs/dbraw/zinc/60/21/38/1032602138.db2.gz ZBTYOHABZVEUOJ-FGZHOGPDSA-N 0 3 398.526 3.871 20 10 GHCDHN COCCN1CCN(Cc2ccc(N(C)C)c3ccccc23)Cc2cccnc21 ZINC001204239032 1032683593 /nfs/dbraw/zinc/68/35/93/1032683593.db2.gz UDVJLEXPNRSTHH-UHFFFAOYSA-N 0 3 390.531 3.769 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cnccc2C(F)(F)F)N(C)C)cc1 ZINC000932243410 1018157616 /nfs/dbraw/zinc/15/76/16/1018157616.db2.gz YFCNUWBTHIDPRK-QGZVFWFLSA-N 0 3 395.429 3.591 20 10 GHCDHN COc1ccccc1C(=O)NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329329 1032772252 /nfs/dbraw/zinc/77/22/52/1032772252.db2.gz MJHLJKPFXTYAEI-UHFFFAOYSA-N 0 3 393.531 3.690 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000778114928 1018604486 /nfs/dbraw/zinc/60/44/86/1018604486.db2.gz XIVFIBRQZRIZBL-KRWDZBQOSA-N 0 3 395.286 3.993 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000834544201 1021260411 /nfs/dbraw/zinc/26/04/11/1021260411.db2.gz JHGLWWLQJZBTLN-CQSZACIVSA-N 0 3 376.250 3.703 20 10 GHCDHN Cc1ccc(C)c(N2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)c1 ZINC001140281278 1021309314 /nfs/dbraw/zinc/30/93/14/1021309314.db2.gz ADZXNRKYQLVNRV-UHFFFAOYSA-N 0 3 379.548 3.587 20 10 GHCDHN C[C@H](Cc1ccc(O)c(O[C@H]2CCN(C)C2)c1)[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001228524072 1032970223 /nfs/dbraw/zinc/97/02/23/1032970223.db2.gz YCIBAIWENNPSTQ-FCEWJHQRSA-N 0 3 385.504 3.944 20 10 GHCDHN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001140344042 1021458492 /nfs/dbraw/zinc/45/84/92/1021458492.db2.gz FCHFBKAHQMAYBB-UHFFFAOYSA-N 0 3 386.923 3.913 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c1[O-] ZINC000834914361 1021677550 /nfs/dbraw/zinc/67/75/50/1021677550.db2.gz UERJRZROFUQQLC-JGGQBBKZSA-N 0 3 394.313 3.768 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000835026314 1021782423 /nfs/dbraw/zinc/78/24/23/1021782423.db2.gz USGGBTIJXUMGQG-CPSHHHPTSA-N 0 3 379.552 3.963 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)[C@@H](C)CN1Cc1ccccc1 ZINC001140662171 1022201664 /nfs/dbraw/zinc/20/16/64/1022201664.db2.gz IJSPQIXXEGHILZ-UXHICEINSA-N 0 3 397.538 3.757 20 10 GHCDHN CCOc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([O-])c1 ZINC000725845649 1022386582 /nfs/dbraw/zinc/38/65/82/1022386582.db2.gz CZBIJCFDLVIIPW-UHFFFAOYSA-N 0 3 395.425 3.963 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)c([O-])c1 ZINC000756043810 1023492695 /nfs/dbraw/zinc/49/26/95/1023492695.db2.gz BZIVZZYOVLQWMS-IFMALSPDSA-N 0 3 380.492 3.849 20 10 GHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000756448196 1023655788 /nfs/dbraw/zinc/65/57/88/1023655788.db2.gz AEXVKGSFCFSTGT-XNJGSVPQSA-N 0 3 392.496 3.681 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3ccc(O)c4ccccc34)CC2)cc1 ZINC001138062168 1023970872 /nfs/dbraw/zinc/97/08/72/1023970872.db2.gz ACCHGEIUCTZVGV-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN Fc1cc(CNCc2ccc(OCC(F)F)cc2)cc(F)c1N1CCOCC1 ZINC000839146756 1025644400 /nfs/dbraw/zinc/64/44/00/1025644400.db2.gz UIDKGYPVSHEWCN-UHFFFAOYSA-N 0 3 398.400 3.735 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001140054244 1026834268 /nfs/dbraw/zinc/83/42/68/1026834268.db2.gz NJYOBDBWCBYSNY-IBGZPJMESA-N 0 3 377.410 3.664 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001140054244 1026834280 /nfs/dbraw/zinc/83/42/80/1026834280.db2.gz NJYOBDBWCBYSNY-IBGZPJMESA-N 0 3 377.410 3.664 20 10 GHCDHN CC[NH+]1CCC(n2nccc2NCc2cc(C)cc(Br)c2[O-])CC1 ZINC001461152825 1069415920 /nfs/dbraw/zinc/41/59/20/1069415920.db2.gz XAHAFDQDLPWYBE-UHFFFAOYSA-N 0 3 393.329 3.929 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001203550333 1027427948 /nfs/dbraw/zinc/42/79/48/1027427948.db2.gz SNXUZOOSBNTGLR-IBGZPJMESA-N 0 3 382.451 3.860 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001203550333 1027427957 /nfs/dbraw/zinc/42/79/57/1027427957.db2.gz SNXUZOOSBNTGLR-IBGZPJMESA-N 0 3 382.451 3.860 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2cc(C)ccc21 ZINC001203552868 1027430400 /nfs/dbraw/zinc/43/04/00/1027430400.db2.gz SYPKHNJQQAHNFH-HXUWFJFHSA-N 0 3 379.504 3.608 20 10 GHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c1[O-] ZINC001203602308 1027466534 /nfs/dbraw/zinc/46/65/34/1027466534.db2.gz OGSGIDXZMMGGSG-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c1[O-] ZINC001203602308 1027466542 /nfs/dbraw/zinc/46/65/42/1027466542.db2.gz OGSGIDXZMMGGSG-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203645801 1027503265 /nfs/dbraw/zinc/50/32/65/1027503265.db2.gz SSYSLCHATNGQQB-HDICACEKSA-N 0 3 387.321 3.719 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203645801 1027503280 /nfs/dbraw/zinc/50/32/80/1027503280.db2.gz SSYSLCHATNGQQB-HDICACEKSA-N 0 3 387.321 3.719 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC001461285275 1069480473 /nfs/dbraw/zinc/48/04/73/1069480473.db2.gz KGKLRXSTPPBKOH-QHCPKHFHSA-N 0 3 379.548 3.856 20 10 GHCDHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000840888878 1027926142 /nfs/dbraw/zinc/92/61/42/1027926142.db2.gz INWYYUIVURDXJX-IHHMQQGQSA-N 0 3 392.547 3.983 20 10 GHCDHN CCOCc1cc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)ccc1OC ZINC000842743649 1029552512 /nfs/dbraw/zinc/55/25/12/1029552512.db2.gz IPUFFGGBSQMQMW-INIZCTEOSA-N 0 3 383.492 3.612 20 10 GHCDHN CNCc1cccc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)c1F ZINC001216222517 1029573954 /nfs/dbraw/zinc/57/39/54/1029573954.db2.gz HVONGISEYFMSRT-UHFFFAOYSA-N 0 3 399.491 3.963 20 10 GHCDHN CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959170 1030944722 /nfs/dbraw/zinc/94/47/22/1030944722.db2.gz NVTYFGBPFBRFHY-IFXJQAMLSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959170 1030944728 /nfs/dbraw/zinc/94/47/28/1030944728.db2.gz NVTYFGBPFBRFHY-IFXJQAMLSA-N 0 3 395.341 3.686 20 10 GHCDHN CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H](N)C3CCC(O)CC3)cc2)cc1 ZINC001219203750 1031304230 /nfs/dbraw/zinc/30/42/30/1031304230.db2.gz NBKXIJAQMGEQGP-DNSKUDKMSA-N 0 3 393.531 3.740 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(C)cc1[O-] ZINC001277427077 1033765908 /nfs/dbraw/zinc/76/59/08/1033765908.db2.gz ODQPOPCFGDMQON-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(C)cc1[O-] ZINC001277427077 1033765923 /nfs/dbraw/zinc/76/59/23/1033765923.db2.gz ODQPOPCFGDMQON-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1[O-] ZINC001206370123 1033818863 /nfs/dbraw/zinc/81/88/63/1033818863.db2.gz BQDBQKOZRAWPJK-HUUCEWRRSA-N 0 3 384.904 3.980 20 10 GHCDHN CCCN(CCN1CCCCC1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001230195751 1033939785 /nfs/dbraw/zinc/93/97/85/1033939785.db2.gz QIGKTGRHAOGMRO-HXUWFJFHSA-N 0 3 388.600 3.900 20 10 GHCDHN C[C@H]1C[C@@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001230506456 1034094515 /nfs/dbraw/zinc/09/45/15/1034094515.db2.gz UMANXVDJZPOVOO-FUHWJXTLSA-N 0 3 385.483 3.631 20 10 GHCDHN C[C@H]1C[C@@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@H+]1Cc1ccccc1 ZINC001230506456 1034094526 /nfs/dbraw/zinc/09/45/26/1034094526.db2.gz UMANXVDJZPOVOO-FUHWJXTLSA-N 0 3 385.483 3.631 20 10 GHCDHN CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231467578 1034612383 /nfs/dbraw/zinc/61/23/83/1034612383.db2.gz MFFVJNMUCMVBKR-NRFANRHFSA-N 0 3 394.515 3.662 20 10 GHCDHN O=C([C@@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1O)N1CCCC1 ZINC001231469119 1034614285 /nfs/dbraw/zinc/61/42/85/1034614285.db2.gz ORPAWANCHICCMS-QFIPXVFZSA-N 0 3 394.515 3.948 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001231587593 1034742219 /nfs/dbraw/zinc/74/22/19/1034742219.db2.gz NOOTWSUUDBUDLG-OEMFJLHTSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001231587593 1034742232 /nfs/dbraw/zinc/74/22/32/1034742232.db2.gz NOOTWSUUDBUDLG-OEMFJLHTSA-N 0 3 390.483 3.889 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c(O)c1 ZINC001231844849 1034938734 /nfs/dbraw/zinc/93/87/34/1034938734.db2.gz OJQSLYJTJYLQAI-HGHGUNKESA-N 0 3 388.533 3.662 20 10 GHCDHN CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)C1 ZINC001231866633 1034953736 /nfs/dbraw/zinc/95/37/36/1034953736.db2.gz BDKIRNVCBDFBOI-MRXNPFEDSA-N 0 3 394.943 3.594 20 10 GHCDHN CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)C1 ZINC001231866633 1034953737 /nfs/dbraw/zinc/95/37/37/1034953737.db2.gz BDKIRNVCBDFBOI-MRXNPFEDSA-N 0 3 394.943 3.594 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1cc(-c2ncc[nH]2)ccn1)c1ccccc1O ZINC001160619100 1035017681 /nfs/dbraw/zinc/01/76/81/1035017681.db2.gz QZDMRTLAPFHONU-NHCUHLMSSA-N 0 3 387.443 3.736 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ccc(-c2ccncc2)nn1)c1ccccc1O ZINC001160623899 1035018260 /nfs/dbraw/zinc/01/82/60/1035018260.db2.gz JYZXJEXVNWHWSE-DHIUTWEWSA-N 0 3 399.454 3.803 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1nccc2scnc21)c1ccccc1O ZINC001160619443 1035018341 /nfs/dbraw/zinc/01/83/41/1035018341.db2.gz YQPAEZRHUNCMMX-QZTJIDSGSA-N 0 3 378.457 3.956 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc(C)nc4C)C3)C2)cc1 ZINC001232082324 1035084250 /nfs/dbraw/zinc/08/42/50/1035084250.db2.gz PKLKINFOKADOQH-XMMPIXPASA-N 0 3 395.547 3.826 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@](C)(F)CC2)c1O ZINC001248390645 1035801278 /nfs/dbraw/zinc/80/12/78/1035801278.db2.gz AFRPSAMDXIOUDD-HNNXBMFYSA-N 0 3 393.240 3.720 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC001462049960 1069967438 /nfs/dbraw/zinc/96/74/38/1069967438.db2.gz HSEMSHQASDAOTI-NRFANRHFSA-N 0 3 390.549 3.567 20 10 GHCDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001462122997 1070014101 /nfs/dbraw/zinc/01/41/01/1070014101.db2.gz CHGAPIOIHUYQRQ-JKSUJKDBSA-N 0 3 380.374 3.964 20 10 GHCDHN C[N@H+](Cc1cc(Cl)c([O-])cc1O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001232262219 1037983272 /nfs/dbraw/zinc/98/32/72/1037983272.db2.gz AAUFORIJWNTHED-UHFFFAOYSA-N 0 3 384.904 3.973 20 10 GHCDHN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001232262219 1037983278 /nfs/dbraw/zinc/98/32/78/1037983278.db2.gz AAUFORIJWNTHED-UHFFFAOYSA-N 0 3 384.904 3.973 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333251 1039130711 /nfs/dbraw/zinc/13/07/11/1039130711.db2.gz OYPNQTSFDDHTCR-HNNXBMFYSA-N 0 3 392.446 3.519 20 10 GHCDHN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001233453673 1039338929 /nfs/dbraw/zinc/33/89/29/1039338929.db2.gz PLJKSVIVFVEXSI-AEFFLSMTSA-N 0 3 391.437 3.760 20 10 GHCDHN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001233453673 1039338948 /nfs/dbraw/zinc/33/89/48/1039338948.db2.gz PLJKSVIVFVEXSI-AEFFLSMTSA-N 0 3 391.437 3.760 20 10 GHCDHN CC(C)[N@H+](Cc1cc(O)c(O)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001233483117 1039379784 /nfs/dbraw/zinc/37/97/84/1039379784.db2.gz OKBDPJFWKIVKKM-INIZCTEOSA-N 0 3 394.512 3.803 20 10 GHCDHN CC(C)[N@@H+](Cc1cc(O)c(O)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001233483117 1039379792 /nfs/dbraw/zinc/37/97/92/1039379792.db2.gz OKBDPJFWKIVKKM-INIZCTEOSA-N 0 3 394.512 3.803 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H](C)O)cc1 ZINC001233726452 1039568110 /nfs/dbraw/zinc/56/81/10/1039568110.db2.gz DKMNVWKNTFTPSZ-CQSZACIVSA-N 0 3 399.409 3.725 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H](C)O)cc1 ZINC001233726452 1039568125 /nfs/dbraw/zinc/56/81/25/1039568125.db2.gz DKMNVWKNTFTPSZ-CQSZACIVSA-N 0 3 399.409 3.725 20 10 GHCDHN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233728473 1039572360 /nfs/dbraw/zinc/57/23/60/1039572360.db2.gz XONSGPKQLTWACG-QGZVFWFLSA-N 0 3 380.410 3.997 20 10 GHCDHN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233728473 1039572372 /nfs/dbraw/zinc/57/23/72/1039572372.db2.gz XONSGPKQLTWACG-QGZVFWFLSA-N 0 3 380.410 3.997 20 10 GHCDHN CCN(CCNC(=O)OC(C)(C)C)Cc1cccc(OC(F)(F)F)c1O ZINC001233768245 1039602449 /nfs/dbraw/zinc/60/24/49/1039602449.db2.gz NRBAXYSVHFGKMC-UHFFFAOYSA-N 0 3 378.391 3.637 20 10 GHCDHN CCN1CCN(c2ccc(OC3CC(C(=O)OCc4ccccc4)C3)cc2)CC1 ZINC001234657900 1040193837 /nfs/dbraw/zinc/19/38/37/1040193837.db2.gz LOIGTJKUFBMIJM-UHFFFAOYSA-N 0 3 394.515 3.729 20 10 GHCDHN CCN1CCN(c2ccc(OC[C@@H]3CCC(c4ccccc4)=NO3)cc2)CC1 ZINC001234660697 1040195444 /nfs/dbraw/zinc/19/54/44/1040195444.db2.gz KPXHSBCCNOOGBK-QFIPXVFZSA-N 0 3 379.504 3.791 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+]Cc3ccc(O)cc3[O-])C2)CC1 ZINC001254738483 1040495517 /nfs/dbraw/zinc/49/55/17/1040495517.db2.gz QFVRUECNSRYIDV-INIZCTEOSA-N 0 3 376.497 3.757 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)c1[O-] ZINC001255297171 1040940244 /nfs/dbraw/zinc/94/02/44/1040940244.db2.gz XMUNJYDWYCFGFD-JSGCOSHPSA-N 0 3 383.330 3.762 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c([O-])c1 ZINC001235677540 1041137772 /nfs/dbraw/zinc/13/77/72/1041137772.db2.gz AZRNWBHHCOWTHG-UHFFFAOYSA-N 0 3 380.532 3.862 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c([O-])c1 ZINC001235677540 1041137791 /nfs/dbraw/zinc/13/77/91/1041137791.db2.gz AZRNWBHHCOWTHG-UHFFFAOYSA-N 0 3 380.532 3.862 20 10 GHCDHN COc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c([O-])cc1Br ZINC001236754153 1041874247 /nfs/dbraw/zinc/87/42/47/1041874247.db2.gz RWGPEKBWPZBHSE-HNNXBMFYSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1cc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c([O-])cc1Br ZINC001236754153 1041874250 /nfs/dbraw/zinc/87/42/50/1041874250.db2.gz RWGPEKBWPZBHSE-HNNXBMFYSA-N 0 3 377.282 3.765 20 10 GHCDHN COC(=O)[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)[C@H](c2ccccc2)C1 ZINC001236754667 1041874444 /nfs/dbraw/zinc/87/44/44/1041874444.db2.gz UFLZPTHMLVUDHM-WMZOPIPTSA-N 0 3 385.460 3.536 20 10 GHCDHN COC(=O)c1cc(Cl)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001236771415 1041881899 /nfs/dbraw/zinc/88/18/99/1041881899.db2.gz HSSGSXBWGVRXPI-UHFFFAOYSA-N 0 3 388.895 3.595 20 10 GHCDHN CCc1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c(O)c1 ZINC001236788396 1041894702 /nfs/dbraw/zinc/89/47/02/1041894702.db2.gz TVHQSNUDNUVYBS-XUZZJYLKSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)c([O-])c1 ZINC001236810713 1041910480 /nfs/dbraw/zinc/91/04/80/1041910480.db2.gz IWHDNUKCUWJLCT-NRFANRHFSA-N 0 3 394.515 3.547 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001236811079 1041911082 /nfs/dbraw/zinc/91/10/82/1041911082.db2.gz LOHIWJKBMHEJSD-OAQYLSRUSA-N 0 3 386.517 3.708 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001236811079 1041911087 /nfs/dbraw/zinc/91/10/87/1041911087.db2.gz LOHIWJKBMHEJSD-OAQYLSRUSA-N 0 3 386.517 3.708 20 10 GHCDHN [O-]c1cc(O)c(CN2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC001236816525 1041914197 /nfs/dbraw/zinc/91/41/97/1041914197.db2.gz ZGRDUGHGFROJJI-HNNXBMFYSA-N 0 3 386.801 3.917 20 10 GHCDHN [O-]c1cc(F)c(Br)cc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962421 1041971176 /nfs/dbraw/zinc/97/11/76/1041971176.db2.gz YBJSMIWIKDLNLM-UHFFFAOYSA-N 0 3 385.321 3.896 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)c([O-])c1 ZINC001237039842 1041999903 /nfs/dbraw/zinc/99/99/03/1041999903.db2.gz CFKBVRSAKIXEOY-NRFANRHFSA-N 0 3 380.488 3.586 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c([O-])c1 ZINC001237040583 1042000570 /nfs/dbraw/zinc/00/05/70/1042000570.db2.gz HSRHGIPEELJOMC-UHFFFAOYSA-N 0 3 375.472 3.849 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c([O-])c1 ZINC001237040583 1042000573 /nfs/dbraw/zinc/00/05/73/1042000573.db2.gz HSRHGIPEELJOMC-UHFFFAOYSA-N 0 3 375.472 3.849 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)c([O-])c1 ZINC001237041130 1042001600 /nfs/dbraw/zinc/00/16/00/1042001600.db2.gz FUJWJIPUGINUQI-UHFFFAOYSA-N 0 3 381.476 3.803 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c([O-])c1 ZINC001237042676 1042002854 /nfs/dbraw/zinc/00/28/54/1042002854.db2.gz KATNEIBCURNEGZ-GMAHTHKFSA-N 0 3 382.504 3.798 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c([O-])c1 ZINC001237042676 1042002858 /nfs/dbraw/zinc/00/28/58/1042002858.db2.gz KATNEIBCURNEGZ-GMAHTHKFSA-N 0 3 382.504 3.798 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001237048266 1042008199 /nfs/dbraw/zinc/00/81/99/1042008199.db2.gz IMPKJXZPZGMFHJ-OFNKIYASSA-N 0 3 382.504 3.576 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001237048266 1042008207 /nfs/dbraw/zinc/00/82/07/1042008207.db2.gz IMPKJXZPZGMFHJ-OFNKIYASSA-N 0 3 382.504 3.576 20 10 GHCDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048323 /nfs/dbraw/zinc/04/83/23/1042048323.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 0 3 375.875 3.534 20 10 GHCDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048326 /nfs/dbraw/zinc/04/83/26/1042048326.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 0 3 375.875 3.534 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001237485317 1042228723 /nfs/dbraw/zinc/22/87/23/1042228723.db2.gz NVPKTSHGGXHGAM-UHFFFAOYSA-N 0 3 376.294 3.947 20 10 GHCDHN Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2c(C)cccc2[O-])CC3)cs1 ZINC001237485665 1042229670 /nfs/dbraw/zinc/22/96/70/1042229670.db2.gz JWFLGDTVPYJNIA-UHFFFAOYSA-N 0 3 385.533 3.623 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)c2ccccc21 ZINC001237490487 1042233230 /nfs/dbraw/zinc/23/32/30/1042233230.db2.gz VINWNEGHOBYNJG-SFHVURJKSA-N 0 3 378.516 3.858 20 10 GHCDHN Cc1cncnc1O[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237649196 1042303005 /nfs/dbraw/zinc/30/30/05/1042303005.db2.gz JHJFOBWNBVMUTJ-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237649196 1042303011 /nfs/dbraw/zinc/30/30/11/1042303011.db2.gz JHJFOBWNBVMUTJ-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1[O-] ZINC001237683367 1042323545 /nfs/dbraw/zinc/32/35/45/1042323545.db2.gz GBQNKWJRDSFACP-QFIPXVFZSA-N 0 3 399.922 3.764 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1[O-] ZINC001237683367 1042323550 /nfs/dbraw/zinc/32/35/50/1042323550.db2.gz GBQNKWJRDSFACP-QFIPXVFZSA-N 0 3 399.922 3.764 20 10 GHCDHN Cc1cc(O)c(CN2CCC[C@@H](Oc3ccncc3)C2)cc1Br ZINC001237686755 1042327405 /nfs/dbraw/zinc/32/74/05/1042327405.db2.gz XNZIHBUOBFTNRW-MRXNPFEDSA-N 0 3 377.282 3.902 20 10 GHCDHN CCOC(=O)c1coc(C2CCN(Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC001237690369 1042328991 /nfs/dbraw/zinc/32/89/91/1042328991.db2.gz WOSIQTOLERWUAH-UHFFFAOYSA-N 0 3 378.856 3.898 20 10 GHCDHN CCOC(=O)c1coc(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)n1 ZINC001237690369 1042329001 /nfs/dbraw/zinc/32/90/01/1042329001.db2.gz WOSIQTOLERWUAH-UHFFFAOYSA-N 0 3 378.856 3.898 20 10 GHCDHN C[NH+]1CC2(C1)CCN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])CC2 ZINC001237792972 1042372768 /nfs/dbraw/zinc/37/27/68/1042372768.db2.gz VKFWDJHZROLSJG-UHFFFAOYSA-N 0 3 393.247 3.701 20 10 GHCDHN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]12 ZINC001238061175 1042478938 /nfs/dbraw/zinc/47/89/38/1042478938.db2.gz NOECCTUYEMVTHS-FYYLOGMGSA-N 0 3 382.479 3.604 20 10 GHCDHN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]12 ZINC001238061175 1042478939 /nfs/dbraw/zinc/47/89/39/1042478939.db2.gz NOECCTUYEMVTHS-FYYLOGMGSA-N 0 3 382.479 3.604 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1[O-] ZINC001238062614 1042480057 /nfs/dbraw/zinc/48/00/57/1042480057.db2.gz VEQZKHSNFKJWJW-HXUWFJFHSA-N 0 3 386.467 3.575 20 10 GHCDHN Fc1cc(CNCc2ccc(N3CCCC3)cc2)cc(F)c1N1CCOCC1 ZINC001261377750 1045986974 /nfs/dbraw/zinc/98/69/74/1045986974.db2.gz DPLFCRCLXUJPRU-UHFFFAOYSA-N 0 3 387.474 3.691 20 10 GHCDHN COc1ccc(Br)c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1[O-] ZINC001279282891 1047756158 /nfs/dbraw/zinc/75/61/58/1047756158.db2.gz ZHYHGBJGPDMORR-UHFFFAOYSA-N 0 3 395.341 3.614 20 10 GHCDHN COc1ccc(Br)c(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c1[O-] ZINC001279282891 1047756164 /nfs/dbraw/zinc/75/61/64/1047756164.db2.gz ZHYHGBJGPDMORR-UHFFFAOYSA-N 0 3 395.341 3.614 20 10 GHCDHN CSCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1F ZINC001304768489 1047763554 /nfs/dbraw/zinc/76/35/54/1047763554.db2.gz MDSVNYUOGHLQJN-FQEVSTJZSA-N 0 3 389.540 3.787 20 10 GHCDHN CC(C)CN(CCc1ccc(F)cc1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001307437587 1049272865 /nfs/dbraw/zinc/27/28/65/1049272865.db2.gz DJEAONOSPSFAGO-UHFFFAOYSA-N 0 3 385.527 3.709 20 10 GHCDHN CC(C)O[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001289601911 1049557238 /nfs/dbraw/zinc/55/72/38/1049557238.db2.gz GCCRLBLTGHHPGH-FCHUYYIVSA-N 0 3 383.536 3.638 20 10 GHCDHN Brc1cccc2nc(NCc3ccc(N4CCOCC4)cc3)[nH]c21 ZINC001308519031 1049997011 /nfs/dbraw/zinc/99/70/11/1049997011.db2.gz NGQLNRFBAGAFGA-UHFFFAOYSA-N 0 3 387.281 3.774 20 10 GHCDHN CCCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001308618600 1050035691 /nfs/dbraw/zinc/03/56/91/1050035691.db2.gz IUQCMWSOUQRKIF-IBGZPJMESA-N 0 3 395.547 3.887 20 10 GHCDHN OCC1([C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2cccs2)CCC1 ZINC001327953910 1050334663 /nfs/dbraw/zinc/33/46/63/1050334663.db2.gz MSUHQKGPQCXRQW-HXUWFJFHSA-N 0 3 390.524 3.717 20 10 GHCDHN Cc1cc(CCNC(=O)N2CC[C@H]3[C@H]2CCCN3C)c(C)n1-c1ccccc1 ZINC001313100457 1052957655 /nfs/dbraw/zinc/95/76/55/1052957655.db2.gz LOTRLBRACOTBGA-FCHUYYIVSA-N 0 3 380.536 3.515 20 10 GHCDHN C[C@H](c1ccccc1F)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313411831 1053046280 /nfs/dbraw/zinc/04/62/80/1053046280.db2.gz JHULPHYNJZXNRJ-IERDGZPVSA-N 0 3 386.515 3.897 20 10 GHCDHN C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)Cc2ccccc21 ZINC001313414883 1053047371 /nfs/dbraw/zinc/04/73/71/1053047371.db2.gz PBAVVXVJNMOKMW-JTSKRJEESA-N 0 3 380.536 3.684 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001313417124 1053048405 /nfs/dbraw/zinc/04/84/05/1053048405.db2.gz RFQVCCZIGVZKNL-LADGPHEKSA-N 0 3 394.563 3.906 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(Oc4ncc(C)cn4)CC3)c2c1 ZINC000848492792 1057125948 /nfs/dbraw/zinc/12/59/48/1057125948.db2.gz BZNWDJFYWODZNH-UHFFFAOYSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccccc1OCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848512968 1057142233 /nfs/dbraw/zinc/14/22/33/1057142233.db2.gz AYSMSOOSPBRZNQ-GFCCVEGCSA-N 0 3 396.281 3.902 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1[O-] ZINC000848517567 1057144684 /nfs/dbraw/zinc/14/46/84/1057144684.db2.gz FUCIQJTZUZDUCC-GFCCVEGCSA-N 0 3 394.313 3.589 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCOCC(F)(F)F)c1[O-] ZINC000848517843 1057144791 /nfs/dbraw/zinc/14/47/91/1057144791.db2.gz GPNKVZHBKJIXCJ-SECBINFHSA-N 0 3 386.208 3.783 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1[O-] ZINC000848524181 1057147694 /nfs/dbraw/zinc/14/76/94/1057147694.db2.gz CMHSGOLDOLWERF-BDAKNGLRSA-N 0 3 386.208 3.781 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1[O-] ZINC000848534893 1057156536 /nfs/dbraw/zinc/15/65/36/1057156536.db2.gz WFKGMZCIYDQZSL-GDZNZVCISA-N 0 3 394.309 3.979 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c1[O-] ZINC000848548041 1057169357 /nfs/dbraw/zinc/16/93/57/1057169357.db2.gz UBKBETIQRMSUMC-CJNGLKHVSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000848550064 1057171786 /nfs/dbraw/zinc/17/17/86/1057171786.db2.gz BIELWDWARBEDCN-XWCIJXRUSA-N 0 3 380.282 3.936 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1[O-] ZINC000848921988 1057424459 /nfs/dbraw/zinc/42/44/59/1057424459.db2.gz KSSNIWBNQYJHJY-MRXNPFEDSA-N 0 3 375.266 3.506 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)cnc2Cl)N(C)C)cc1 ZINC001439959084 1058365527 /nfs/dbraw/zinc/36/55/27/1058365527.db2.gz BXBRHEJEORKLTR-LJQANCHMSA-N 0 3 386.927 3.711 20 10 GHCDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@@H]1N(C)C ZINC001466550098 1066187720 /nfs/dbraw/zinc/18/77/20/1066187720.db2.gz OFPUWCJEULVMKT-OALUTQOASA-N 0 3 391.968 3.865 20 10 GHCDHN Cc1ccccc1C[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001468433611 1067730046 /nfs/dbraw/zinc/73/00/46/1067730046.db2.gz QKUNQMSZBMYKFZ-GCJKJVERSA-N 0 3 382.552 3.594 20 10 GHCDHN CCC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC001477805606 1078574533 /nfs/dbraw/zinc/57/45/33/1078574533.db2.gz RCDYUGJBRDECJM-NHCUHLMSSA-N 0 3 383.540 3.591 20 10 GHCDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001469853476 1068429807 /nfs/dbraw/zinc/42/98/07/1068429807.db2.gz JJWHXKVDCOUOHM-VQTJNVASSA-N 0 3 394.563 3.977 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](c2ccccn2)C2CCC2)N(C)C)cc1 ZINC001470856669 1072775285 /nfs/dbraw/zinc/77/52/85/1072775285.db2.gz VKKLJWODJJBQRI-FGZHOGPDSA-N 0 3 395.551 3.591 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cc3ccccc3o2)N(C)C)cc1 ZINC001471544314 1073124165 /nfs/dbraw/zinc/12/41/65/1073124165.db2.gz LVPMFABILHANRR-OAQYLSRUSA-N 0 3 394.519 3.943 20 10 GHCDHN Cc1cc2c(cc1C)N(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001471547869 1073126710 /nfs/dbraw/zinc/12/67/10/1073126710.db2.gz OISKGOICPYPZCG-QFIPXVFZSA-N 0 3 380.536 3.744 20 10 GHCDHN COc1c([O-])c(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC001474609430 1074482963 /nfs/dbraw/zinc/48/29/63/1074482963.db2.gz GSDPRVTWEHIODX-GVDBMIGSSA-N 0 3 399.491 3.792 20 10 GHCDHN COc1c([O-])c(C[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC001474609430 1074482968 /nfs/dbraw/zinc/48/29/68/1074482968.db2.gz GSDPRVTWEHIODX-GVDBMIGSSA-N 0 3 399.491 3.792 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC001474641654 1074495929 /nfs/dbraw/zinc/49/59/29/1074495929.db2.gz DXPWZXOOCOHOED-GFCCVEGCSA-N 0 3 387.318 3.808 20 10 GHCDHN COc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160205614 834513498 /nfs/dbraw/zinc/51/34/98/834513498.db2.gz NZMHUAKYBLAAAU-NRFANRHFSA-N 0 3 393.487 3.972 20 10 GHCDHN COc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160205614 834513504 /nfs/dbraw/zinc/51/35/04/834513504.db2.gz NZMHUAKYBLAAAU-NRFANRHFSA-N 0 3 393.487 3.972 20 10 GHCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255590646 834523752 /nfs/dbraw/zinc/52/37/52/834523752.db2.gz LTGYZZQQVVHAOL-QGZVFWFLSA-N 0 3 393.491 3.889 20 10 GHCDHN C[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155272218 836717964 /nfs/dbraw/zinc/71/79/64/836717964.db2.gz CLNOPCQYPHNSTN-KRWDZBQOSA-N 0 3 397.494 3.640 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1[O-] ZINC000155303872 836768981 /nfs/dbraw/zinc/76/89/81/836768981.db2.gz MRQWTWBKEGOWQX-IBGZPJMESA-N 0 3 376.522 3.662 20 10 GHCDHN Fc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1OC(F)F ZINC000168083937 838499225 /nfs/dbraw/zinc/49/92/25/838499225.db2.gz IOOHTJYXMWZDMS-UHFFFAOYSA-N 0 3 384.373 3.693 20 10 GHCDHN Cc1ccccc1-n1nccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000279542445 843125569 /nfs/dbraw/zinc/12/55/69/843125569.db2.gz ANTHTUGXXKSOIH-UHFFFAOYSA-N 0 3 390.531 3.679 20 10 GHCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000279923688 843902329 /nfs/dbraw/zinc/90/23/29/843902329.db2.gz AHSZNUINAKEHNG-CYBMUJFWSA-N 0 3 379.547 3.977 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1N(C)C ZINC000165192349 854755954 /nfs/dbraw/zinc/75/59/54/854755954.db2.gz YEYBOXUQHPEWRQ-HNNXBMFYSA-N 0 3 375.463 3.718 20 10 GHCDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281245421 862922404 /nfs/dbraw/zinc/92/24/04/862922404.db2.gz NLROMFNVKYMLTB-FQEVSTJZSA-N 0 3 388.458 3.712 20 10 GHCDHN CC(C)(C)OC(=O)NC(C)(C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000761183858 858922802 /nfs/dbraw/zinc/92/28/02/858922802.db2.gz CZABMTFUAOHZPG-QGZVFWFLSA-N 0 3 378.513 3.677 20 10 GHCDHN CC(C)(C)OC(=O)NC(C)(C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000761183858 858922808 /nfs/dbraw/zinc/92/28/08/858922808.db2.gz CZABMTFUAOHZPG-QGZVFWFLSA-N 0 3 378.513 3.677 20 10 GHCDHN CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856560992 881447433 /nfs/dbraw/zinc/44/74/33/881447433.db2.gz RTQBFOQJXQDDGK-LJQANCHMSA-N 0 3 389.927 3.934 20 10 GHCDHN CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856560992 881447700 /nfs/dbraw/zinc/44/77/00/881447700.db2.gz RTQBFOQJXQDDGK-LJQANCHMSA-N 0 3 389.927 3.934 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000765246855 859863457 /nfs/dbraw/zinc/86/34/57/859863457.db2.gz YEEPVVWGJPGSCE-OXJNMPFZSA-N 0 3 399.535 3.854 20 10 GHCDHN COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765260368 859870877 /nfs/dbraw/zinc/87/08/77/859870877.db2.gz FYCXPFCOOJJDFC-QRWLVFNGSA-N 0 3 390.911 3.569 20 10 GHCDHN CC[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765400726 859954500 /nfs/dbraw/zinc/95/45/00/859954500.db2.gz NAUUADZFZDUDON-IBGZPJMESA-N 0 3 380.941 3.921 20 10 GHCDHN Cc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000734133099 864021322 /nfs/dbraw/zinc/02/13/22/864021322.db2.gz ADTDOPQLEROMKG-OAQYLSRUSA-N 0 3 388.515 3.884 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1[O-] ZINC000184670508 864828884 /nfs/dbraw/zinc/82/88/84/864828884.db2.gz SYBAVLYOUQYZQK-HIFRSBDPSA-N 0 3 378.394 3.863 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000184992177 865100052 /nfs/dbraw/zinc/10/00/52/865100052.db2.gz SOPCTQLMVZQALX-DYESRHJHSA-N 0 3 376.500 3.615 20 10 GHCDHN CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102178 865279968 /nfs/dbraw/zinc/27/99/68/865279968.db2.gz NOCFMIZHJRXFGC-RTWAWAEBSA-N 0 3 383.540 3.543 20 10 GHCDHN COc1cc(N2CCN(CCCSCC(C)C)CC2)cc(OC)c1OC ZINC000183701461 867311761 /nfs/dbraw/zinc/31/17/61/867311761.db2.gz COZJOJJTVFPKBB-UHFFFAOYSA-N 0 3 382.570 3.614 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H](c1ccccc1)N1CCCC1 ZINC000745240088 869406053 /nfs/dbraw/zinc/40/60/53/869406053.db2.gz XXHXKGUWJMFZDX-JOCHJYFZSA-N 0 3 393.531 3.907 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccccc1[O-] ZINC000793572260 882322695 /nfs/dbraw/zinc/32/26/95/882322695.db2.gz XQHWJBZEXOZFMJ-CVDCTZTESA-N 0 3 393.487 3.858 20 10 GHCDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000793611547 882329899 /nfs/dbraw/zinc/32/98/99/882329899.db2.gz RMDAYKZOBVQIHP-CXAGYDPISA-N 0 3 377.868 3.564 20 10 GHCDHN COc1cc(N2CCN(Cc3c(C)cc(C)cc3C)CC2)cc(OC)c1OC ZINC001169071594 871160993 /nfs/dbraw/zinc/16/09/93/871160993.db2.gz CNBARQAKHKBIIE-UHFFFAOYSA-N 0 3 384.520 3.960 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768465259 873329743 /nfs/dbraw/zinc/32/97/43/873329743.db2.gz YTMWGWRIJVLFQC-ACJLOTCBSA-N 0 3 396.270 3.778 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768465259 873329764 /nfs/dbraw/zinc/32/97/64/873329764.db2.gz YTMWGWRIJVLFQC-ACJLOTCBSA-N 0 3 396.270 3.778 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nc4c(s3)CCCC4)C1)[C@@H](O)CO2 ZINC000768463400 873329815 /nfs/dbraw/zinc/32/98/15/873329815.db2.gz SMPZRMWWNXFOLX-ACJLOTCBSA-N 0 3 386.517 3.533 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc4c(s3)CCCC4)C1)[C@@H](O)CO2 ZINC000768463400 873329830 /nfs/dbraw/zinc/32/98/30/873329830.db2.gz SMPZRMWWNXFOLX-ACJLOTCBSA-N 0 3 386.517 3.533 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c([O-])c1 ZINC000769123002 873825507 /nfs/dbraw/zinc/82/55/07/873825507.db2.gz UZZPFMHWGZIOIE-UHFFFAOYSA-N 0 3 380.488 3.592 20 10 GHCDHN CN(C)c1ccc(CN2CCC(n3cc(Br)cn3)CC2)cc1F ZINC000769400390 874020821 /nfs/dbraw/zinc/02/08/21/874020821.db2.gz SYDPEFHFLOCMLL-UHFFFAOYSA-N 0 3 381.293 3.688 20 10 GHCDHN COc1cc(C)c([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833645 874319395 /nfs/dbraw/zinc/31/93/95/874319395.db2.gz FXIKFESXYHPLGM-DLBZAZTESA-N 0 3 399.535 3.606 20 10 GHCDHN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000770327268 874602025 /nfs/dbraw/zinc/60/20/25/874602025.db2.gz RSBNATKDEKYRSM-UWJYYQICSA-N 0 3 383.496 3.865 20 10 GHCDHN COc1cc(Br)cc(CN[C@@H]2CCOc3c(OC)cccc32)c1O ZINC000776175083 875693355 /nfs/dbraw/zinc/69/33/55/875693355.db2.gz GUBWJZRFBQXYHD-CQSZACIVSA-N 0 3 394.265 3.785 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1[O-] ZINC000850566405 877032948 /nfs/dbraw/zinc/03/29/48/877032948.db2.gz MFGNUMIHOCJMAS-SNVBAGLBSA-N 0 3 394.256 3.754 20 10 GHCDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000850682474 877096029 /nfs/dbraw/zinc/09/60/29/877096029.db2.gz QCVAFXHYHNGXPK-IBGZPJMESA-N 0 3 379.464 3.641 20 10 GHCDHN O=C(CCN(Cc1ccco1)Cc1ccccc1O)N1CCc2ccccc21 ZINC000109761213 877424471 /nfs/dbraw/zinc/42/44/71/877424471.db2.gz KORRBGRINXKYFS-UHFFFAOYSA-N 0 3 376.456 3.967 20 10 GHCDHN Cc1ccc(C(=O)NC2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)cc1 ZINC001183171219 912329737 /nfs/dbraw/zinc/32/97/37/912329737.db2.gz QEFQDIUEZXBDNI-SNAWJCMRSA-N 0 3 377.532 3.969 20 10 GHCDHN CCC(CC)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(OC)c(OC)c1 ZINC000763472579 878462119 /nfs/dbraw/zinc/46/21/19/878462119.db2.gz YZSKXCACCZJGMH-UHFFFAOYSA-N 0 3 387.476 3.986 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3nc4ccccc4n3C)cc2F)CC1 ZINC000180103428 878493187 /nfs/dbraw/zinc/49/31/87/878493187.db2.gz LOAWJLIKTCABAC-KRWDZBQOSA-N 0 3 395.526 3.705 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000180572420 879057395 /nfs/dbraw/zinc/05/73/95/879057395.db2.gz PZDYTTAJDFFXQF-GOSISDBHSA-N 0 3 398.400 3.713 20 10 GHCDHN COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccccc3[O-])c2)cc1 ZINC000111395160 879085561 /nfs/dbraw/zinc/08/55/61/879085561.db2.gz FLMHLHJVHWWDFC-UHFFFAOYSA-N 0 3 392.455 3.822 20 10 GHCDHN O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000054548426 884460903 /nfs/dbraw/zinc/46/09/03/884460903.db2.gz ZBZMRCIRBOULGT-UHFFFAOYSA-N 0 3 399.494 3.914 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)c2)CC1 ZINC000860913405 885094850 /nfs/dbraw/zinc/09/48/50/885094850.db2.gz BRSFBGSURWROIN-UHFFFAOYSA-N 0 3 388.855 3.642 20 10 GHCDHN CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)N(C)C)cc1 ZINC000807589471 885553796 /nfs/dbraw/zinc/55/37/96/885553796.db2.gz WASLBYOQGZZTDY-HXUWFJFHSA-N 0 3 385.508 3.624 20 10 GHCDHN O=C(NCc1ccc2cccnc2c1O)c1cccc(CN2CCCCC2)c1 ZINC000862025594 886061843 /nfs/dbraw/zinc/06/18/43/886061843.db2.gz XWSMABJCTUOYFO-UHFFFAOYSA-N 0 3 375.472 3.856 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540278 886451497 /nfs/dbraw/zinc/45/14/97/886451497.db2.gz CEOSLQCYWJJVJY-CYBMUJFWSA-N 0 3 378.266 3.858 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540278 886451505 /nfs/dbraw/zinc/45/15/05/886451505.db2.gz CEOSLQCYWJJVJY-CYBMUJFWSA-N 0 3 378.266 3.858 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c1[O-] ZINC000808693152 886647783 /nfs/dbraw/zinc/64/77/83/886647783.db2.gz XUCOOZZAXNHULI-LAUBAEHRSA-N 0 3 387.955 3.993 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1[O-] ZINC000808679661 886678875 /nfs/dbraw/zinc/67/88/75/886678875.db2.gz WKULAXUIUKOVIV-CQSZACIVSA-N 0 3 396.940 3.892 20 10 GHCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808678075 886679233 /nfs/dbraw/zinc/67/92/33/886679233.db2.gz KIGWGRHSQMEHOC-CQSZACIVSA-N 0 3 376.884 3.720 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119277236 886875319 /nfs/dbraw/zinc/87/53/19/886875319.db2.gz UCUXDHLBNAQKMR-QGZVFWFLSA-N 0 3 395.503 3.676 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000119277236 886875337 /nfs/dbraw/zinc/87/53/37/886875337.db2.gz UCUXDHLBNAQKMR-QGZVFWFLSA-N 0 3 395.503 3.676 20 10 GHCDHN CCN(CC)c1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000119461738 887113646 /nfs/dbraw/zinc/11/36/46/887113646.db2.gz SVGPHWREMTWLQB-OAHLLOKOSA-N 0 3 393.528 3.512 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c([O-])c1 ZINC000809658559 887666512 /nfs/dbraw/zinc/66/65/12/887666512.db2.gz RCIDGGBHXGORFA-UHFFFAOYSA-N 0 3 377.366 3.895 20 10 GHCDHN COc1ccc(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c(O)c1 ZINC000809658559 887666515 /nfs/dbraw/zinc/66/65/15/887666515.db2.gz RCIDGGBHXGORFA-UHFFFAOYSA-N 0 3 377.366 3.895 20 10 GHCDHN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809696837 887676123 /nfs/dbraw/zinc/67/61/23/887676123.db2.gz SFBLSEJRLMVAHY-LJQANCHMSA-N 0 3 379.378 3.987 20 10 GHCDHN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809696837 887676133 /nfs/dbraw/zinc/67/61/33/887676133.db2.gz SFBLSEJRLMVAHY-LJQANCHMSA-N 0 3 379.378 3.987 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1[O-] ZINC000809769983 887758851 /nfs/dbraw/zinc/75/88/51/887758851.db2.gz OUFVWUXPXHASME-QGZVFWFLSA-N 0 3 381.289 3.995 20 10 GHCDHN COC(=O)c1ccc(CNC2CCN(c3ccc(OC)cc3)CC2)nc1C1CC1 ZINC000809758247 887801409 /nfs/dbraw/zinc/80/14/09/887801409.db2.gz HUSWUWYGTUNQNZ-UHFFFAOYSA-N 0 3 395.503 3.513 20 10 GHCDHN CC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794791919 888074107 /nfs/dbraw/zinc/07/41/07/888074107.db2.gz CMHYIOLGGPWDJX-FCHUYYIVSA-N 0 3 384.520 3.823 20 10 GHCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000794809082 888180151 /nfs/dbraw/zinc/18/01/51/888180151.db2.gz NQVPTOAZEKMKFT-FQEVSTJZSA-N 0 3 387.474 3.526 20 10 GHCDHN Brc1ccn2cc(CNCCCSc3nccs3)nc2c1 ZINC000810145899 888186571 /nfs/dbraw/zinc/18/65/71/888186571.db2.gz IXPQNYKPLBSODU-UHFFFAOYSA-N 0 3 383.340 3.825 20 10 GHCDHN COc1ccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000121004363 888831437 /nfs/dbraw/zinc/83/14/37/888831437.db2.gz QBUZVTWWJVBXAD-QFIPXVFZSA-N 0 3 382.504 3.878 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000811517617 889672852 /nfs/dbraw/zinc/67/28/52/889672852.db2.gz XTRWPQAHJFYMLJ-QGZVFWFLSA-N 0 3 390.524 3.870 20 10 GHCDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000122454006 889804815 /nfs/dbraw/zinc/80/48/15/889804815.db2.gz MBSWJVPIMJLEIJ-AWEZNQCLSA-N 0 3 379.501 3.504 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)cc4nccnc43)c2)CC1 ZINC000122587207 889936058 /nfs/dbraw/zinc/93/60/58/889936058.db2.gz KYEIWUXTITZDFN-UHFFFAOYSA-N 0 3 393.466 3.552 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000795099954 890244335 /nfs/dbraw/zinc/24/43/35/890244335.db2.gz NFAKGNDTBJKYKN-KSSFIOAISA-N 0 3 392.471 3.565 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)CC1 ZINC000123166388 890387665 /nfs/dbraw/zinc/38/76/65/890387665.db2.gz ZIQIHCKAMAFQHN-UHFFFAOYSA-N 0 3 389.503 3.655 20 10 GHCDHN CCOc1ccc(O)c(CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000812763839 890920843 /nfs/dbraw/zinc/92/08/43/890920843.db2.gz XXIJYTIQPDDMQZ-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1cccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000154327051 891620292 /nfs/dbraw/zinc/62/02/92/891620292.db2.gz NLYZBZLUDHJAKK-PMACEKPBSA-N 0 3 390.911 3.606 20 10 GHCDHN O=C(N[C@H]1C[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1)OCc1ccccc1 ZINC000814177344 892342684 /nfs/dbraw/zinc/34/26/84/892342684.db2.gz YZSFMPHCESSSQW-RTWAWAEBSA-N 0 3 380.488 3.919 20 10 GHCDHN COc1ccc(O)c(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1 ZINC000778170144 893033543 /nfs/dbraw/zinc/03/35/43/893033543.db2.gz KPUAYHXXINBSGR-UHFFFAOYSA-N 0 3 391.393 3.954 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C2CC2)cc1 ZINC000918057770 893071204 /nfs/dbraw/zinc/07/12/04/893071204.db2.gz WUHOQBWSUVQQAJ-QHCPKHFHSA-N 0 3 394.563 3.600 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCc3ccccc3C2)N(C)C)cc1 ZINC001134681729 893217848 /nfs/dbraw/zinc/21/78/48/893217848.db2.gz DPWFFEZXPUMUKH-MBSDFSHPSA-N 0 3 379.548 3.667 20 10 GHCDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134682068 893218657 /nfs/dbraw/zinc/21/86/57/893218657.db2.gz RZEJZNKMTCYXBL-QRWLVFNGSA-N 0 3 389.927 3.592 20 10 GHCDHN COc1cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825887585 893232632 /nfs/dbraw/zinc/23/26/32/893232632.db2.gz VIVGFIPSOLGHDH-ZFWWWQNUSA-N 0 3 375.431 3.691 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000918183271 893319182 /nfs/dbraw/zinc/31/91/82/893319182.db2.gz LLPAEKUKFNXNSZ-JOCHJYFZSA-N 0 3 382.552 3.505 20 10 GHCDHN COc1ccccc1C[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134883201 893508796 /nfs/dbraw/zinc/50/87/96/893508796.db2.gz ZEFZFGFBFGESRO-AVRDEDQJSA-N 0 3 397.563 3.749 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000877178928 893523161 /nfs/dbraw/zinc/52/31/61/893523161.db2.gz DOFKJMHUNQDFQH-QGZVFWFLSA-N 0 3 382.508 3.932 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000877178928 893523177 /nfs/dbraw/zinc/52/31/77/893523177.db2.gz DOFKJMHUNQDFQH-QGZVFWFLSA-N 0 3 382.508 3.932 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1n1cccn1 ZINC000816672711 895019266 /nfs/dbraw/zinc/01/92/66/895019266.db2.gz IBOJHVPOVCJHMI-WWNPGLIZSA-N 0 3 393.487 3.676 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648315 895201663 /nfs/dbraw/zinc/20/16/63/895201663.db2.gz JRXASMSNSFONES-OAHLLOKOSA-N 0 3 378.476 3.874 20 10 GHCDHN CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941038 895971014 /nfs/dbraw/zinc/97/10/14/895971014.db2.gz IKKSBEPEPCVHTE-MSOLQXFVSA-N 0 3 392.341 3.961 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817971880 895988682 /nfs/dbraw/zinc/98/86/82/895988682.db2.gz QMUUEEYKFSRYRH-RVBZMBCESA-N 0 3 392.135 3.566 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000026310984 897141130 /nfs/dbraw/zinc/14/11/30/897141130.db2.gz KIUPKVJDKQNKTC-QGZVFWFLSA-N 0 3 389.565 3.634 20 10 GHCDHN O=C(CNCc1ccc(N2CCC(O)CC2)cc1)Nc1cccc2ccccc21 ZINC000882993031 897185145 /nfs/dbraw/zinc/18/51/45/897185145.db2.gz DRNGKAIXFLFUJV-UHFFFAOYSA-N 0 3 389.499 3.529 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000823442532 899029167 /nfs/dbraw/zinc/02/91/67/899029167.db2.gz HGDHNIJOPMWYOO-FQEVSTJZSA-N 0 3 383.561 3.971 20 10 GHCDHN CCOCc1cc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)ccc1OC ZINC000825118733 899990951 /nfs/dbraw/zinc/99/09/51/899990951.db2.gz WTFVCYKSOZBHQM-HMXCVIKNSA-N 0 3 387.524 3.715 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1[O-] ZINC000825118753 899991171 /nfs/dbraw/zinc/99/11/71/899991171.db2.gz WZQFTEQJABJWJR-HLLBOEOZSA-N 0 3 379.888 3.538 20 10 GHCDHN O[C@H]([C@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1)C(F)(F)F ZINC000825124432 899993565 /nfs/dbraw/zinc/99/35/65/899993565.db2.gz PWBKJHYRPCDNRR-PZJWPPBQSA-N 0 3 390.449 3.994 20 10 GHCDHN Cc1nc(CN2CCC(C[NH2+]Cc3cc(Cl)c(C)cc3[O-])CC2)oc1C ZINC000825222722 900033544 /nfs/dbraw/zinc/03/35/44/900033544.db2.gz LZYNVTSLRLGDGU-UHFFFAOYSA-N 0 3 377.916 3.961 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2Br)c1[O-] ZINC000825343687 900108651 /nfs/dbraw/zinc/10/86/51/900108651.db2.gz OYYZRNZWCCQHRR-AWEZNQCLSA-N 0 3 386.673 3.640 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCc2cc3ccccc3nc2N2CCOCC2)c1 ZINC000845972445 902554257 /nfs/dbraw/zinc/55/42/57/902554257.db2.gz OVHXXBDUNNQEMG-INIZCTEOSA-N 0 3 393.487 3.636 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000779023059 903064158 /nfs/dbraw/zinc/06/41/58/903064158.db2.gz BYUSVSKVZPGHDT-GZBFAFLISA-N 0 3 383.330 3.761 20 10 GHCDHN COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779053578 903566038 /nfs/dbraw/zinc/56/60/38/903566038.db2.gz FWIMFXXIWUAAQP-QWHCGFSZSA-N 0 3 399.329 3.981 20 10 GHCDHN COc1cc(O)c(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1OC ZINC000159875810 904271296 /nfs/dbraw/zinc/27/12/96/904271296.db2.gz ODMKZFWAOYFRFU-UHFFFAOYSA-N 0 3 379.403 3.731 20 10 GHCDHN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccccc4)CC3)CC2)cc1 ZINC001171883788 905118465 /nfs/dbraw/zinc/11/84/65/905118465.db2.gz AONSHJHVAJWGRS-OAQYLSRUSA-N 0 3 393.531 3.512 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(F)(F)F)cn2)N(C)C)cc1 ZINC001203253433 906108891 /nfs/dbraw/zinc/10/88/91/906108891.db2.gz WTTMIUGDXGCJCI-INIZCTEOSA-N 0 3 395.429 3.591 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](c3ccc(F)cn3)C(C)C)cc2F)CC1 ZINC000779340904 906337887 /nfs/dbraw/zinc/33/78/87/906337887.db2.gz MPUXZIDLIGJJSG-QFIPXVFZSA-N 0 3 388.506 3.989 20 10 GHCDHN CCOc1ccc(N2CCN([C@H](C)Cc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC001173734279 906675555 /nfs/dbraw/zinc/67/55/55/906675555.db2.gz IHICTEMRTYIUAP-GOSISDBHSA-N 0 3 382.504 3.625 20 10 GHCDHN C[C@H]([NH2+]CC(=O)NCc1ccccc1COc1ccccc1)c1ccccc1[O-] ZINC001175417874 907542238 /nfs/dbraw/zinc/54/22/38/907542238.db2.gz CUALDSZJKOZOLF-SFHVURJKSA-N 0 3 390.483 3.938 20 10 GHCDHN C[N@H+](CCC(=O)NCc1cc(Cl)c2cccnc2c1[O-])Cc1ccccc1 ZINC001181142265 910570354 /nfs/dbraw/zinc/57/03/54/910570354.db2.gz SEGICKZRXKGQCD-UHFFFAOYSA-N 0 3 383.879 3.732 20 10 GHCDHN C[N@@H+](CCC(=O)NCc1cc(Cl)c2cccnc2c1[O-])Cc1ccccc1 ZINC001181142265 910570358 /nfs/dbraw/zinc/57/03/58/910570358.db2.gz SEGICKZRXKGQCD-UHFFFAOYSA-N 0 3 383.879 3.732 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291009294 914912706 /nfs/dbraw/zinc/91/27/06/914912706.db2.gz ARMORCARCGWURR-ZDUSSCGKSA-N 0 3 389.883 3.825 20 10 GHCDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303707613 915067989 /nfs/dbraw/zinc/06/79/89/915067989.db2.gz BZWGDZMOHRPKJK-YLJYHZDGSA-N 0 3 383.511 3.728 20 10 GHCDHN COC1CCN(c2ccc(CN[C@@]3(CO)CCCc4ccccc43)cc2)CC1 ZINC000295265630 917238413 /nfs/dbraw/zinc/23/84/13/917238413.db2.gz HIUXDGWTHXDNNM-XMMPIXPASA-N 0 3 380.532 3.616 20 10 GHCDHN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000796470904 917575314 /nfs/dbraw/zinc/57/53/14/917575314.db2.gz XUMOISPWGPMZCK-OAQYLSRUSA-N 0 3 379.504 3.829 20 10 GHCDHN COc1cc(CN(C)Cc2ccc(N3CCC(OC)CC3)cc2)cc(OC)c1 ZINC000827486108 925641752 /nfs/dbraw/zinc/64/17/52/925641752.db2.gz CKWPVJHHRWXYKU-UHFFFAOYSA-N 0 3 384.520 3.951 20 10 GHCDHN O=C1OCCN1C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000827733939 925953336 /nfs/dbraw/zinc/95/33/36/925953336.db2.gz RJQIWJOLURSOAT-UHFFFAOYSA-N 0 3 391.515 3.666 20 10 GHCDHN COCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000383515119 926357395 /nfs/dbraw/zinc/35/73/95/926357395.db2.gz GGXCGDJDBPIEBE-MRXNPFEDSA-N 0 3 378.513 3.707 20 10 GHCDHN CCc1ccc([C@@H](CN2CCOCC2)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000753643105 929458123 /nfs/dbraw/zinc/45/81/23/929458123.db2.gz IZWLUFVBZDYNSO-JOCHJYFZSA-N 0 3 385.527 3.617 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000758204711 929972598 /nfs/dbraw/zinc/97/25/98/929972598.db2.gz XGOUBWPKPRQSPQ-DYESRHJHSA-N 0 3 388.515 3.882 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000759157558 930293036 /nfs/dbraw/zinc/29/30/36/930293036.db2.gz KPXMSJSLHBDRHL-QRWLVFNGSA-N 0 3 379.460 3.612 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000759157558 930293045 /nfs/dbraw/zinc/29/30/45/930293045.db2.gz KPXMSJSLHBDRHL-QRWLVFNGSA-N 0 3 379.460 3.612 20 10 GHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCC(=O)c1ccccc1 ZINC000781333695 930800156 /nfs/dbraw/zinc/80/01/56/930800156.db2.gz RWHNLXKJIRPGBO-UHFFFAOYSA-N 0 3 380.488 3.526 20 10 GHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)NCC(=O)c1ccccc1 ZINC000781333695 930800159 /nfs/dbraw/zinc/80/01/59/930800159.db2.gz RWHNLXKJIRPGBO-UHFFFAOYSA-N 0 3 380.488 3.526 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(C)[C@@H](Cc4ccccc4)C3)cc2)CC1 ZINC000829541837 935825381 /nfs/dbraw/zinc/82/53/81/935825381.db2.gz DUVWNDIBZRONDK-DEOSSOPVSA-N 0 3 393.575 3.661 20 10 GHCDHN CC(C)n1cc(Cl)c(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000932496325 1018360082 /nfs/dbraw/zinc/36/00/82/1018360082.db2.gz CZNXBIGQZWETDA-KRWDZBQOSA-N 0 3 392.935 3.608 20 10 GHCDHN COc1cc(Br)cc(C[NH+]2CCC3(CCOC3(C)C)CC2)c1[O-] ZINC001204340108 1032781921 /nfs/dbraw/zinc/78/19/21/1032781921.db2.gz CRQFGCHYEPYOGL-UHFFFAOYSA-N 0 3 384.314 3.944 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1[O-] ZINC000779011595 1020192933 /nfs/dbraw/zinc/19/29/33/1020192933.db2.gz JMRGGAVYSRRZCZ-GOEBONIOSA-N 0 3 378.310 3.965 20 10 GHCDHN OC1CCN(c2ccc(CN3CCC4(Cc5ccccc5O4)CC3)cc2)CC1 ZINC001140287862 1021321513 /nfs/dbraw/zinc/32/15/13/1021321513.db2.gz IPHRFHPYAQOBRM-UHFFFAOYSA-N 0 3 378.516 3.617 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1[O-] ZINC000834840604 1021539245 /nfs/dbraw/zinc/53/92/45/1021539245.db2.gz LQXBMHXNXCQAIM-NSHDSACASA-N 0 3 385.689 3.629 20 10 GHCDHN CN(C)S(=O)(=O)c1ccccc1CNCc1cc(-c2ccccc2)ccc1O ZINC000725844943 1022386328 /nfs/dbraw/zinc/38/63/28/1022386328.db2.gz COGPTMSDKPFIIE-UHFFFAOYSA-N 0 3 396.512 3.599 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(c3noc4ccccc43)CC2)c(O)c1 ZINC001140851966 1022698937 /nfs/dbraw/zinc/69/89/37/1022698937.db2.gz WKFSRRIIAZNTBT-UHFFFAOYSA-N 0 3 380.492 3.702 20 10 GHCDHN Cc1ccc(C[N@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)c([O-])c1 ZINC001140952414 1022981432 /nfs/dbraw/zinc/98/14/32/1022981432.db2.gz QVJRMVWQVJRDTP-SJORKVTESA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1ccc(C[N@@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)c([O-])c1 ZINC001140952414 1022981434 /nfs/dbraw/zinc/98/14/34/1022981434.db2.gz QVJRMVWQVJRDTP-SJORKVTESA-N 0 3 378.488 3.775 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c(OC)c1 ZINC001141032141 1023299153 /nfs/dbraw/zinc/29/91/53/1023299153.db2.gz UJWCOZOERXJUHU-HUUCEWRRSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c(OC)c1 ZINC001141032141 1023299161 /nfs/dbraw/zinc/29/91/61/1023299161.db2.gz UJWCOZOERXJUHU-HUUCEWRRSA-N 0 3 394.512 3.535 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074999 1023435191 /nfs/dbraw/zinc/43/51/91/1023435191.db2.gz HGOSPHJSIKTWBP-NHCUHLMSSA-N 0 3 397.563 3.827 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075001 1023435256 /nfs/dbraw/zinc/43/52/56/1023435256.db2.gz HGOSPHJSIKTWBP-SFTDATJTSA-N 0 3 397.563 3.827 20 10 GHCDHN C[C@](O)(C1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1)C(F)(F)F ZINC001141078458 1023443692 /nfs/dbraw/zinc/44/36/92/1023443692.db2.gz WQCBAAKKMKOMEI-FQEVSTJZSA-N 0 3 382.470 3.911 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2c1c(F)ccc2[O-] ZINC000756443726 1023653968 /nfs/dbraw/zinc/65/39/68/1023653968.db2.gz UNJCDSVVSCPEDH-IDHHARJASA-N 0 3 397.494 3.571 20 10 GHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(NS(C)(=O)=O)c1 ZINC000756494864 1023684738 /nfs/dbraw/zinc/68/47/38/1023684738.db2.gz OUYHTGLRWXAKPE-WQGACYEGSA-N 0 3 378.469 3.802 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220383 1024393713 /nfs/dbraw/zinc/39/37/13/1024393713.db2.gz ACWXZBUZNSQSOQ-OAQYLSRUSA-N 0 3 387.568 3.573 20 10 GHCDHN Cc1c(CN2CCC3(CCCN3Cc3ccn(C)n3)CC2)c2ccccc2n1C ZINC001138255890 1024480084 /nfs/dbraw/zinc/48/00/84/1024480084.db2.gz WQCZWYVDLFJRSW-UHFFFAOYSA-N 0 3 391.563 3.851 20 10 GHCDHN CN1CCCc2cc(CN3CC[C@@H]4CCN(C(=O)OC(C)(C)C)[C@@H]4C3)ccc21 ZINC001138354399 1024716730 /nfs/dbraw/zinc/71/67/30/1024716730.db2.gz IDBLKPRROWQMAY-WIYYLYMNSA-N 0 3 385.552 3.900 20 10 GHCDHN CN1CCCc2cc(CN3CCC4(CC3)C(=O)N[C@H]4c3ccccc3)ccc21 ZINC001138357060 1024720452 /nfs/dbraw/zinc/72/04/52/1024720452.db2.gz BTUSCNWWYCCFLF-QFIPXVFZSA-N 0 3 375.516 3.522 20 10 GHCDHN C[N@H+](Cc1cnc2[nH]cc(I)c2c1)Cc1ccccc1[O-] ZINC001138843287 1025456134 /nfs/dbraw/zinc/45/61/34/1025456134.db2.gz YPVXLABLIZYNIB-UHFFFAOYSA-N 0 3 393.228 3.505 20 10 GHCDHN C[N@@H+](Cc1cnc2[nH]cc(I)c2c1)Cc1ccccc1[O-] ZINC001138843287 1025456140 /nfs/dbraw/zinc/45/61/40/1025456140.db2.gz YPVXLABLIZYNIB-UHFFFAOYSA-N 0 3 393.228 3.505 20 10 GHCDHN COc1cc(O)c(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1OC ZINC000839161168 1025669213 /nfs/dbraw/zinc/66/92/13/1025669213.db2.gz WXKUHSWDYSNNDP-OAQYLSRUSA-N 0 3 393.430 3.633 20 10 GHCDHN CCOc1cccc(CN(CCO)Cc2ccc(N3CCC(OC)CC3)cc2)c1 ZINC000832659918 1025808171 /nfs/dbraw/zinc/80/81/71/1025808171.db2.gz NAUIZKVYJWBLBT-UHFFFAOYSA-N 0 3 398.547 3.695 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001139132270 1025944817 /nfs/dbraw/zinc/94/48/17/1025944817.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 0 3 392.499 3.761 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001139132270 1025944818 /nfs/dbraw/zinc/94/48/18/1025944818.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 0 3 392.499 3.761 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139132270 1025944826 /nfs/dbraw/zinc/94/48/26/1025944826.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 0 3 392.499 3.761 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139132270 1025944829 /nfs/dbraw/zinc/94/48/29/1025944829.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 0 3 392.499 3.761 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3nc(C)cc4cc[nH]c43)CC2)cc1 ZINC001164328189 1026487313 /nfs/dbraw/zinc/48/73/13/1026487313.db2.gz SUYYANOADOYLEJ-UHFFFAOYSA-N 0 3 379.508 3.504 20 10 GHCDHN Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2cc(F)ccc2[O-])CC3)cs1 ZINC001140055327 1026834943 /nfs/dbraw/zinc/83/49/43/1026834943.db2.gz DGAYGRGQTPZXBL-GOSISDBHSA-N 0 3 392.496 3.637 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccc(C)cc21 ZINC001203552908 1027430785 /nfs/dbraw/zinc/43/07/85/1027430785.db2.gz VHBFRIVLXSBBNG-FQEVSTJZSA-N 0 3 379.504 3.608 20 10 GHCDHN COc1cccc(CN2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c1O ZINC001203590270 1027454346 /nfs/dbraw/zinc/45/43/46/1027454346.db2.gz VPQNNXMOAIDGEB-RYGJVYDSSA-N 0 3 383.492 3.666 20 10 GHCDHN COc1cccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1O ZINC001203602011 1027466242 /nfs/dbraw/zinc/46/62/42/1027466242.db2.gz WNQAOQXBQYIWEJ-UHFFFAOYSA-N 0 3 382.382 3.622 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203622223 1027484424 /nfs/dbraw/zinc/48/44/24/1027484424.db2.gz UWBDUPRZMZMQGE-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203622223 1027484426 /nfs/dbraw/zinc/48/44/26/1027484426.db2.gz UWBDUPRZMZMQGE-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c([O-])c1 ZINC001203623216 1027485961 /nfs/dbraw/zinc/48/59/61/1027485961.db2.gz MPVXNJDHVSJLBA-UHFFFAOYSA-N 0 3 379.435 3.598 20 10 GHCDHN COc1ccc(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c([O-])c1 ZINC001203623216 1027485971 /nfs/dbraw/zinc/48/59/71/1027485971.db2.gz MPVXNJDHVSJLBA-UHFFFAOYSA-N 0 3 379.435 3.598 20 10 GHCDHN COc1ccc(C[N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001203627438 1027487688 /nfs/dbraw/zinc/48/76/88/1027487688.db2.gz DLHICPRYMLLPQB-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN COc1ccc(C[N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001203627438 1027487698 /nfs/dbraw/zinc/48/76/98/1027487698.db2.gz DLHICPRYMLLPQB-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN COc1ccc(O)c(CN2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c1 ZINC001203671320 1027522310 /nfs/dbraw/zinc/52/23/10/1027522310.db2.gz NGYUWFDJFDLKQX-ONGXBYRLSA-N 0 3 383.492 3.666 20 10 GHCDHN CCCCOc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC001203691363 1027537964 /nfs/dbraw/zinc/53/79/64/1027537964.db2.gz MJDLQBPNSDQZBT-FQEVSTJZSA-N 0 3 399.539 3.751 20 10 GHCDHN COc1cccc2c1CCC[C@@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840759807 1027800387 /nfs/dbraw/zinc/80/03/87/1027800387.db2.gz NRPVBHNXRGSALN-FQEVSTJZSA-N 0 3 388.458 3.977 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001222652265 1030262809 /nfs/dbraw/zinc/26/28/09/1030262809.db2.gz VUAPRANDKBUZKE-CQSZACIVSA-N 0 3 393.247 3.661 20 10 GHCDHN COc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1Cn1cccn1 ZINC001461656750 1069661445 /nfs/dbraw/zinc/66/14/45/1069661445.db2.gz XDUPTUJQVXZTPK-GOTSBHOMSA-N 0 3 379.504 3.788 20 10 GHCDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001223803740 1030758489 /nfs/dbraw/zinc/75/84/89/1030758489.db2.gz VIKZYQRORNJNEO-FCHUYYIVSA-N 0 3 398.551 3.814 20 10 GHCDHN Cc1cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218309740 1030885620 /nfs/dbraw/zinc/88/56/20/1030885620.db2.gz VFHBUNNGAKISTC-CQSZACIVSA-N 0 3 377.440 3.530 20 10 GHCDHN CC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860506 1069801209 /nfs/dbraw/zinc/80/12/09/1069801209.db2.gz COYCHODYUXMOGU-MAUKXSAKSA-N 0 3 378.513 3.834 20 10 GHCDHN CC[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860506 1069801240 /nfs/dbraw/zinc/80/12/40/1069801240.db2.gz COYCHODYUXMOGU-MAUKXSAKSA-N 0 3 378.513 3.834 20 10 GHCDHN CN[C@@H](COCc1ccccc1)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157435032 1033586928 /nfs/dbraw/zinc/58/69/28/1033586928.db2.gz QZKKLBXRFMWRDU-SIKLNZKXSA-N 0 3 396.531 3.553 20 10 GHCDHN CCc1ncnc2c1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231466416 1034610290 /nfs/dbraw/zinc/61/02/90/1034610290.db2.gz BCZSPHSMQHZYAT-UHFFFAOYSA-N 0 3 389.499 3.924 20 10 GHCDHN CCc1ncnc2c1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231466416 1034610299 /nfs/dbraw/zinc/61/02/99/1034610299.db2.gz BCZSPHSMQHZYAT-UHFFFAOYSA-N 0 3 389.499 3.924 20 10 GHCDHN CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C(C)C)C1 ZINC001231468931 1034613979 /nfs/dbraw/zinc/61/39/79/1034613979.db2.gz JMOBUKTUXSDUPQ-NRFANRHFSA-N 0 3 382.504 3.802 20 10 GHCDHN CC(=O)N1CC[C@H]([N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C(C)C)C1 ZINC001231468931 1034613987 /nfs/dbraw/zinc/61/39/87/1034613987.db2.gz JMOBUKTUXSDUPQ-NRFANRHFSA-N 0 3 382.504 3.802 20 10 GHCDHN COc1ccc(CCN(C)Cc2c(Br)ccc(OC)c2O)cc1 ZINC001231554145 1034705386 /nfs/dbraw/zinc/70/53/86/1034705386.db2.gz KGTQLNYIJRUAPH-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1ccc(CC[N@H+](C)Cc2c(Br)ccc(OC)c2[O-])cc1 ZINC001231554145 1034705394 /nfs/dbraw/zinc/70/53/94/1034705394.db2.gz KGTQLNYIJRUAPH-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1ccc(CC[N@@H+](C)Cc2c(Br)ccc(OC)c2[O-])cc1 ZINC001231554145 1034705401 /nfs/dbraw/zinc/70/54/01/1034705401.db2.gz KGTQLNYIJRUAPH-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2C1 ZINC001231587333 1034740319 /nfs/dbraw/zinc/74/03/19/1034740319.db2.gz AESCCJKIBULALR-SJORKVTESA-N 0 3 393.512 3.596 20 10 GHCDHN O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2C1 ZINC001231587333 1034740332 /nfs/dbraw/zinc/74/03/32/1034740332.db2.gz AESCCJKIBULALR-SJORKVTESA-N 0 3 393.512 3.596 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001231588273 1034742389 /nfs/dbraw/zinc/74/23/89/1034742389.db2.gz VAYSPPGNSNTHTC-HXOBKFHXSA-N 0 3 394.446 3.607 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001231588273 1034742402 /nfs/dbraw/zinc/74/24/02/1034742402.db2.gz VAYSPPGNSNTHTC-HXOBKFHXSA-N 0 3 394.446 3.607 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC001231854606 1034944905 /nfs/dbraw/zinc/94/49/05/1034944905.db2.gz CVXRJGIASXOEJX-UHFFFAOYSA-N 0 3 393.329 3.557 20 10 GHCDHN COc1cc(N(C)C)ccc1CN(C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231858032 1034946754 /nfs/dbraw/zinc/94/67/54/1034946754.db2.gz QHRUGUZFNXUZDD-IBGZPJMESA-N 0 3 391.556 3.981 20 10 GHCDHN COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231868897 1034955422 /nfs/dbraw/zinc/95/54/22/1034955422.db2.gz YUXXJIJLTPZNLX-RXVVDRJESA-N 0 3 378.944 3.534 20 10 GHCDHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231868897 1034955425 /nfs/dbraw/zinc/95/54/25/1034955425.db2.gz YUXXJIJLTPZNLX-RXVVDRJESA-N 0 3 378.944 3.534 20 10 GHCDHN C[C@H]1CCc2nnc(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3[O-])cc2C1 ZINC001160624543 1035019560 /nfs/dbraw/zinc/01/95/60/1035019560.db2.gz RICGSMZKSPVNNK-NYDQNWGQSA-N 0 3 390.487 3.866 20 10 GHCDHN CC(C)(C)OC(=O)N1[C@@H](CC[N@@H+]2CCc3cccc([O-])c3C2)COC1(C)C ZINC001209014320 1035151566 /nfs/dbraw/zinc/15/15/66/1035151566.db2.gz PJMHFFGSACNGKM-INIZCTEOSA-N 0 3 376.497 3.512 20 10 GHCDHN CC(C)(C)OC(=O)N1[C@@H](CC[N@H+]2CCc3cccc([O-])c3C2)COC1(C)C ZINC001209014320 1035151570 /nfs/dbraw/zinc/15/15/70/1035151570.db2.gz PJMHFFGSACNGKM-INIZCTEOSA-N 0 3 376.497 3.512 20 10 GHCDHN COc1cc(I)cc(C[N@H+](C)Cc2ccc(C)cc2)c1[O-] ZINC001248396294 1035808148 /nfs/dbraw/zinc/80/81/48/1035808148.db2.gz LEXZNHUOUYVJDW-UHFFFAOYSA-N 0 3 397.256 3.946 20 10 GHCDHN COc1cc(I)cc(C[N@@H+](C)Cc2ccc(C)cc2)c1[O-] ZINC001248396294 1035808171 /nfs/dbraw/zinc/80/81/71/1035808171.db2.gz LEXZNHUOUYVJDW-UHFFFAOYSA-N 0 3 397.256 3.946 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001233195440 1038961830 /nfs/dbraw/zinc/96/18/30/1038961830.db2.gz ITGRJGFFOVGNCA-HNNXBMFYSA-N 0 3 387.281 3.737 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001233195440 1038961832 /nfs/dbraw/zinc/96/18/32/1038961832.db2.gz ITGRJGFFOVGNCA-HNNXBMFYSA-N 0 3 387.281 3.737 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1O ZINC001233287716 1039064373 /nfs/dbraw/zinc/06/43/73/1039064373.db2.gz DPJMRXKDBWVBSQ-UKRRQHHQSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC001233287716 1039064394 /nfs/dbraw/zinc/06/43/94/1039064394.db2.gz DPJMRXKDBWVBSQ-UKRRQHHQSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC001233287716 1039064409 /nfs/dbraw/zinc/06/44/09/1039064409.db2.gz DPJMRXKDBWVBSQ-UKRRQHHQSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c1O ZINC001233290313 1039075262 /nfs/dbraw/zinc/07/52/62/1039075262.db2.gz VYRYRSILRBOQGB-OAHLLOKOSA-N 0 3 384.904 3.933 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC001233290313 1039075284 /nfs/dbraw/zinc/07/52/84/1039075284.db2.gz VYRYRSILRBOQGB-OAHLLOKOSA-N 0 3 384.904 3.933 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC001233290313 1039075303 /nfs/dbraw/zinc/07/53/03/1039075303.db2.gz VYRYRSILRBOQGB-OAHLLOKOSA-N 0 3 384.904 3.933 20 10 GHCDHN C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(O)C(F)(F)F ZINC001233726743 1039569952 /nfs/dbraw/zinc/56/99/52/1039569952.db2.gz GZFUFZFGGMDVLC-IINYFYTJSA-N 0 3 387.320 3.816 20 10 GHCDHN C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@]1(O)C(F)(F)F ZINC001233726743 1039569967 /nfs/dbraw/zinc/56/99/67/1039569967.db2.gz GZFUFZFGGMDVLC-IINYFYTJSA-N 0 3 387.320 3.816 20 10 GHCDHN CCC(F)(F)C(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001234468847 1040053598 /nfs/dbraw/zinc/05/35/98/1040053598.db2.gz DEFJJBGUKCJHRE-KRWDZBQOSA-N 0 3 384.515 3.726 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1 ZINC001234535950 1040107694 /nfs/dbraw/zinc/10/76/94/1040107694.db2.gz JCGWTMJTMMRMNP-CALCHBBNSA-N 0 3 395.528 3.574 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1 ZINC001234535950 1040107710 /nfs/dbraw/zinc/10/77/10/1040107710.db2.gz JCGWTMJTMMRMNP-CALCHBBNSA-N 0 3 395.528 3.574 20 10 GHCDHN CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234535732 1040108318 /nfs/dbraw/zinc/10/83/18/1040108318.db2.gz FPMNOFVLPJLUMQ-QGZVFWFLSA-N 0 3 381.476 3.516 20 10 GHCDHN CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234535732 1040108323 /nfs/dbraw/zinc/10/83/23/1040108323.db2.gz FPMNOFVLPJLUMQ-QGZVFWFLSA-N 0 3 381.476 3.516 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(Oc4cc(C)ncn4)CC3)c2c1 ZINC001234568829 1040134643 /nfs/dbraw/zinc/13/46/43/1040134643.db2.gz CZWBHKGMEOJLFM-UHFFFAOYSA-N 0 3 379.460 3.696 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H]1c1ccccc1 ZINC001234569296 1040137186 /nfs/dbraw/zinc/13/71/86/1040137186.db2.gz KVIROBOOUGAGGS-IRLDBZIGSA-N 0 3 391.467 3.943 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H]1c1ccccc1 ZINC001234569296 1040137195 /nfs/dbraw/zinc/13/71/95/1040137195.db2.gz KVIROBOOUGAGGS-IRLDBZIGSA-N 0 3 391.467 3.943 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H](C(=O)OC)c3cccc(Cl)c3)cc2)CC1 ZINC001234657938 1040193907 /nfs/dbraw/zinc/19/39/07/1040193907.db2.gz NHXRWVZSAFFPQJ-FQEVSTJZSA-N 0 3 388.895 3.775 20 10 GHCDHN COCCN1CC[C@]2(CCC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1=O ZINC001234987031 1040482712 /nfs/dbraw/zinc/48/27/12/1040482712.db2.gz DOBQGUWXQJGQOQ-DEOSSOPVSA-N 0 3 394.515 3.520 20 10 GHCDHN COCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1=O ZINC001234987031 1040482724 /nfs/dbraw/zinc/48/27/24/1040482724.db2.gz DOBQGUWXQJGQOQ-DEOSSOPVSA-N 0 3 394.515 3.520 20 10 GHCDHN CCOC[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cnn(C)c21 ZINC001234988391 1040485759 /nfs/dbraw/zinc/48/57/59/1040485759.db2.gz NYMUDEDAHGAPPT-HXUWFJFHSA-N 0 3 377.488 3.929 20 10 GHCDHN CCOC[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cnn(C)c21 ZINC001234988391 1040485783 /nfs/dbraw/zinc/48/57/83/1040485783.db2.gz NYMUDEDAHGAPPT-HXUWFJFHSA-N 0 3 377.488 3.929 20 10 GHCDHN C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001235065407 1040554217 /nfs/dbraw/zinc/55/42/17/1040554217.db2.gz PUXFJMBJLBORRK-QGZVFWFLSA-N 0 3 379.273 3.783 20 10 GHCDHN C[N@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001235065407 1040554236 /nfs/dbraw/zinc/55/42/36/1040554236.db2.gz PUXFJMBJLBORRK-QGZVFWFLSA-N 0 3 379.273 3.783 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c([O-])c1 ZINC001235679344 1041141243 /nfs/dbraw/zinc/14/12/43/1041141243.db2.gz MWRGNPDYXYWODR-UHFFFAOYSA-N 0 3 380.536 3.681 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)c([O-])c1 ZINC001235679344 1041141250 /nfs/dbraw/zinc/14/12/50/1041141250.db2.gz MWRGNPDYXYWODR-UHFFFAOYSA-N 0 3 380.536 3.681 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c([O-])c1 ZINC001235682225 1041150570 /nfs/dbraw/zinc/15/05/70/1041150570.db2.gz VESHILDCTRQTOI-FQEVSTJZSA-N 0 3 382.504 3.832 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c([O-])c1 ZINC001235682225 1041150576 /nfs/dbraw/zinc/15/05/76/1041150576.db2.gz VESHILDCTRQTOI-FQEVSTJZSA-N 0 3 382.504 3.832 20 10 GHCDHN COC(=O)c1c(CN2CCN[C@H](c3ccc(Cl)cc3)C2)c2ccccc2n1C ZINC001235787898 1041275810 /nfs/dbraw/zinc/27/58/10/1041275810.db2.gz FFQATTHVLAELEF-IBGZPJMESA-N 0 3 397.906 3.765 20 10 GHCDHN COc1ccc(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)c([O-])c1Cl ZINC001236409107 1041704425 /nfs/dbraw/zinc/70/44/25/1041704425.db2.gz XGPGDCUAUUKGQU-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN [O-]c1cc(Br)c(O)cc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001236763442 1041877816 /nfs/dbraw/zinc/87/78/16/1041877816.db2.gz LMQWJJNJJFSABR-FRIZHTMISA-N 0 3 396.325 3.887 20 10 GHCDHN [O-]c1cc(Br)c(O)cc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001236763442 1041877825 /nfs/dbraw/zinc/87/78/25/1041877825.db2.gz LMQWJJNJJFSABR-FRIZHTMISA-N 0 3 396.325 3.887 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCC(Oc2ccncn2)CC1 ZINC001236782204 1041889153 /nfs/dbraw/zinc/88/91/53/1041889153.db2.gz KLSHKXJBNNWJSY-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)c([O-])c1 ZINC001236786098 1041891532 /nfs/dbraw/zinc/89/15/32/1041891532.db2.gz DCDPNTGPIIUZMX-QFIPXVFZSA-N 0 3 399.560 3.734 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)c([O-])c1 ZINC001236786098 1041891542 /nfs/dbraw/zinc/89/15/42/1041891542.db2.gz DCDPNTGPIIUZMX-QFIPXVFZSA-N 0 3 399.560 3.734 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001236828671 1041920059 /nfs/dbraw/zinc/92/00/59/1041920059.db2.gz CBHOOWJFEQFOFC-ISKFKSNPSA-N 0 3 390.483 3.606 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001236828671 1041920062 /nfs/dbraw/zinc/92/00/62/1041920062.db2.gz CBHOOWJFEQFOFC-ISKFKSNPSA-N 0 3 390.483 3.606 20 10 GHCDHN CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236845737 1041926336 /nfs/dbraw/zinc/92/63/36/1041926336.db2.gz LDADPCVVMWNDNJ-KRWDZBQOSA-N 0 3 376.497 3.896 20 10 GHCDHN CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236845737 1041926340 /nfs/dbraw/zinc/92/63/40/1041926340.db2.gz LDADPCVVMWNDNJ-KRWDZBQOSA-N 0 3 376.497 3.896 20 10 GHCDHN C[C@@H]1C[C@@H](C)C[NH+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236852798 1041928476 /nfs/dbraw/zinc/92/84/76/1041928476.db2.gz UPMCQHYHDQTXOK-HZPDHXFCSA-N 0 3 390.524 4.000 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001237041797 1042001629 /nfs/dbraw/zinc/00/16/29/1042001629.db2.gz URYCNWRMDOWQCN-DEOSSOPVSA-N 0 3 394.515 3.937 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001237041797 1042001636 /nfs/dbraw/zinc/00/16/36/1042001636.db2.gz URYCNWRMDOWQCN-DEOSSOPVSA-N 0 3 394.515 3.937 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c([O-])c1 ZINC001237041710 1042001789 /nfs/dbraw/zinc/00/17/89/1042001789.db2.gz SFBRCHLGGINQKG-UHFFFAOYSA-N 0 3 394.515 3.948 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001237042132 1042001799 /nfs/dbraw/zinc/00/17/99/1042001799.db2.gz WUSAGLZTASBJTB-RPWUZVMVSA-N 0 3 394.515 3.555 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001237042132 1042001802 /nfs/dbraw/zinc/00/18/02/1042001802.db2.gz WUSAGLZTASBJTB-RPWUZVMVSA-N 0 3 394.515 3.555 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001237041492 1042002165 /nfs/dbraw/zinc/00/21/65/1042002165.db2.gz MFTHQAQRVFKWHZ-OFAXGOBFSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001237041492 1042002172 /nfs/dbraw/zinc/00/21/72/1042002172.db2.gz MFTHQAQRVFKWHZ-OFAXGOBFSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001237050145 1042009812 /nfs/dbraw/zinc/00/98/12/1042009812.db2.gz QHUDVRXDNLQLAU-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001237050145 1042009819 /nfs/dbraw/zinc/00/98/19/1042009819.db2.gz QHUDVRXDNLQLAU-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN Cc1cccnc1N1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237058420 1042014356 /nfs/dbraw/zinc/01/43/56/1042014356.db2.gz ZNPTXYAHLXGSFN-UHFFFAOYSA-N 0 3 395.425 3.749 20 10 GHCDHN Cc1cccnc1N1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237058420 1042014365 /nfs/dbraw/zinc/01/43/65/1042014365.db2.gz ZNPTXYAHLXGSFN-UHFFFAOYSA-N 0 3 395.425 3.749 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@H](C)O)cc1 ZINC001237138156 1042060572 /nfs/dbraw/zinc/06/05/72/1042060572.db2.gz UMJQNQJVVZBENG-AWEZNQCLSA-N 0 3 383.410 3.845 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@H](C)O)cc1 ZINC001237138156 1042060574 /nfs/dbraw/zinc/06/05/74/1042060574.db2.gz UMJQNQJVVZBENG-AWEZNQCLSA-N 0 3 383.410 3.845 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C2(NC(=O)OC(C)(C)C)CC2)[C@H](CF)C1 ZINC001237484659 1042228574 /nfs/dbraw/zinc/22/85/74/1042228574.db2.gz GOILHGYXDDAJTA-WBVHZDCISA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C2(NC(=O)OC(C)(C)C)CC2)[C@H](CF)C1 ZINC001237484659 1042228579 /nfs/dbraw/zinc/22/85/79/1042228579.db2.gz GOILHGYXDDAJTA-WBVHZDCISA-N 0 3 378.488 3.775 20 10 GHCDHN COC(=O)[C@H]1CCN(Cc2cc(OC)cc(OC)c2O)[C@@H](c2ccccc2)C1 ZINC001237681065 1042323138 /nfs/dbraw/zinc/32/31/38/1042323138.db2.gz NYYNQLXDJZPHFI-QFBILLFUSA-N 0 3 385.460 3.536 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683981 1042324586 /nfs/dbraw/zinc/32/45/86/1042324586.db2.gz JSECLDODAIIPTB-RHSMWYFYSA-N 0 3 377.941 3.907 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683981 1042324589 /nfs/dbraw/zinc/32/45/89/1042324589.db2.gz JSECLDODAIIPTB-RHSMWYFYSA-N 0 3 377.941 3.907 20 10 GHCDHN COc1cc(CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237685778 1042325388 /nfs/dbraw/zinc/32/53/88/1042325388.db2.gz UORWEKIUPXGSIX-NRFANRHFSA-N 0 3 394.512 3.536 20 10 GHCDHN CC[C@H]1[N@H+](Cc2cc(Cl)cc(C)c2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237686843 1042327453 /nfs/dbraw/zinc/32/74/53/1042327453.db2.gz TYWIIDMRVFSGNH-NQIIRXRSSA-N 0 3 394.943 3.736 20 10 GHCDHN CC[C@H]1[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237686843 1042327456 /nfs/dbraw/zinc/32/74/56/1042327456.db2.gz TYWIIDMRVFSGNH-NQIIRXRSSA-N 0 3 394.943 3.736 20 10 GHCDHN COCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237690656 1042328304 /nfs/dbraw/zinc/32/83/04/1042328304.db2.gz ZFPLSBSEMSTETM-QGZVFWFLSA-N 0 3 398.931 3.812 20 10 GHCDHN COCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237690656 1042328306 /nfs/dbraw/zinc/32/83/06/1042328306.db2.gz ZFPLSBSEMSTETM-QGZVFWFLSA-N 0 3 398.931 3.812 20 10 GHCDHN COc1cccc(C(=O)NC2CC[NH+](Cc3cc(F)c(Cl)cc3[O-])CC2)c1 ZINC001237939927 1042430438 /nfs/dbraw/zinc/43/04/38/1042430438.db2.gz HYXIJNKPHITCLR-UHFFFAOYSA-N 0 3 392.858 3.588 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1[O-] ZINC001238061417 1042479228 /nfs/dbraw/zinc/47/92/28/1042479228.db2.gz MKJLMYWRYVLULG-NJDAHSKKSA-N 0 3 386.467 3.573 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1[O-] ZINC001238061417 1042479231 /nfs/dbraw/zinc/47/92/31/1042479231.db2.gz MKJLMYWRYVLULG-NJDAHSKKSA-N 0 3 386.467 3.573 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)c(Cl)c2)N(C)C)cc1 ZINC001289602047 1049556843 /nfs/dbraw/zinc/55/68/43/1049556843.db2.gz IVXMTHTZVDXKCA-IBGZPJMESA-N 0 3 377.891 3.507 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cccnc3OC3CCCC3)cc2F)CC1 ZINC001308199149 1049909585 /nfs/dbraw/zinc/90/95/85/1049909585.db2.gz NNTKKDDIQDSUSO-UHFFFAOYSA-N 0 3 398.526 3.584 20 10 GHCDHN Clc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCCn1ccnc1 ZINC001308235768 1049921739 /nfs/dbraw/zinc/92/17/39/1049921739.db2.gz LPHVIANZNPKUMP-UHFFFAOYSA-N 0 3 383.879 3.840 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3ccc4scnc4c3)cc2F)CC1 ZINC001308252735 1049927534 /nfs/dbraw/zinc/92/75/34/1049927534.db2.gz WVOBBINVQIQLHU-UHFFFAOYSA-N 0 3 384.524 3.867 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)c1[O-] ZINC001329941749 1050927490 /nfs/dbraw/zinc/92/74/90/1050927490.db2.gz SHXKVEYWAFQAQT-SNVBAGLBSA-N 0 3 384.274 3.563 20 10 GHCDHN CCS[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001312186909 1052625150 /nfs/dbraw/zinc/62/51/50/1052625150.db2.gz VIQFNTGDBJMTAP-RLLQIKCJSA-N 0 3 392.613 3.719 20 10 GHCDHN CN1CCN(c2ccc(CN3CCCO[C@@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702748 1055410147 /nfs/dbraw/zinc/41/01/47/1055410147.db2.gz SHLZYNBGCVVLGN-HSZRJFAPSA-N 0 3 383.511 3.541 20 10 GHCDHN Cn1cc(-c2ccc(C[N@@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)cc2)cn1 ZINC001321496657 1056293194 /nfs/dbraw/zinc/29/31/94/1056293194.db2.gz ROBJRMNRTNQCMB-JOCHJYFZSA-N 0 3 377.488 3.974 20 10 GHCDHN Cn1cc(-c2ccc(C[N@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)cc2)cn1 ZINC001321496657 1056293214 /nfs/dbraw/zinc/29/32/14/1056293214.db2.gz ROBJRMNRTNQCMB-JOCHJYFZSA-N 0 3 377.488 3.974 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2cc(F)cc(F)c2)CC1 ZINC001200684188 1056727387 /nfs/dbraw/zinc/72/73/87/1056727387.db2.gz UVRBSKVTCFEWMM-UHFFFAOYSA-N 0 3 377.460 3.621 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2nc(C)cc2C)c1[O-] ZINC000848514822 1057143714 /nfs/dbraw/zinc/14/37/14/1057143714.db2.gz QEVFSXCQJLAORE-CYBMUJFWSA-N 0 3 382.302 3.718 20 10 GHCDHN COC(=O)c1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000848520299 1057145327 /nfs/dbraw/zinc/14/53/27/1057145327.db2.gz HTZGJRWEYFBPLS-OAQYLSRUSA-N 0 3 398.478 3.616 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1[O-] ZINC000848520304 1057145429 /nfs/dbraw/zinc/14/54/29/1057145429.db2.gz HXPHDPZQTXBCGQ-GFCCVEGCSA-N 0 3 399.329 3.653 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000848523704 1057148429 /nfs/dbraw/zinc/14/84/29/1057148429.db2.gz CQMXMYDPZOHBKI-LLVKDONJSA-N 0 3 395.253 3.965 20 10 GHCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])c1 ZINC000848527630 1057151725 /nfs/dbraw/zinc/15/17/25/1057151725.db2.gz DEACZLXLNBMVIA-MEDUHNTESA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000848531611 1057153466 /nfs/dbraw/zinc/15/34/66/1057153466.db2.gz UFOBEDHYMIMFFB-MEBBXXQBSA-N 0 3 392.297 3.990 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000848533958 1057155282 /nfs/dbraw/zinc/15/52/82/1057155282.db2.gz OJISGLARUABLEC-BSNNYGBQSA-N 0 3 398.322 3.752 20 10 GHCDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848537088 1057158250 /nfs/dbraw/zinc/15/82/50/1057158250.db2.gz ZGGGCJSUBBCQFQ-NSHDSACASA-N 0 3 396.329 3.872 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1[O-] ZINC000848919222 1057421682 /nfs/dbraw/zinc/42/16/82/1057421682.db2.gz TWSPCGMKDDNDHB-UHFFFAOYSA-N 0 3 396.915 3.887 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1O ZINC000848919222 1057421687 /nfs/dbraw/zinc/42/16/87/1057421687.db2.gz TWSPCGMKDDNDHB-UHFFFAOYSA-N 0 3 396.915 3.887 20 10 GHCDHN C[C@@H]1CCc2sc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2C1 ZINC001439959075 1058365007 /nfs/dbraw/zinc/36/50/07/1058365007.db2.gz BWNGVAFNJVNVMS-BEFAXECRSA-N 0 3 385.577 3.972 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2SCCc3ccccc32)N(C)C)cc1 ZINC001439961798 1058370266 /nfs/dbraw/zinc/37/02/66/1058370266.db2.gz SPJXRMOXKZXHEV-RTWAWAEBSA-N 0 3 383.561 3.502 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1[O-] ZINC001346507940 1061629436 /nfs/dbraw/zinc/62/94/36/1061629436.db2.gz YGCMUVLXAGKYGQ-GHMZBOCLSA-N 0 3 388.302 3.934 20 10 GHCDHN Cc1occc1-c1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC001466438494 1066155367 /nfs/dbraw/zinc/15/53/67/1066155367.db2.gz ZZYOYCMZZYPXDV-SFHVURJKSA-N 0 3 397.479 3.733 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nc(C)cs1 ZINC001468686397 1067823903 /nfs/dbraw/zinc/82/39/03/1067823903.db2.gz OLHFREQIBTVWGL-QZTJIDSGSA-N 0 3 389.569 3.571 20 10 GHCDHN CCN(C)c1ccc(CN2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC001460314966 1068920441 /nfs/dbraw/zinc/92/04/41/1068920441.db2.gz KTXNWZDALNFEPC-GOSISDBHSA-N 0 3 390.325 3.954 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1[O-] ZINC001460639718 1069049119 /nfs/dbraw/zinc/04/91/19/1069049119.db2.gz RJKUPOMSJNXHNY-CQSZACIVSA-N 0 3 395.484 3.995 20 10 GHCDHN CSc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001478464054 1078878345 /nfs/dbraw/zinc/87/83/45/1078878345.db2.gz XZSUHKFSUFEEKA-FQEVSTJZSA-N 0 3 386.565 3.577 20 10 GHCDHN CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC001478589309 1078926797 /nfs/dbraw/zinc/92/67/97/1078926797.db2.gz KCXMPGKGDLDFFY-UHFFFAOYSA-N 0 3 385.483 3.763 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](c2ccccn2)C2CCC2)N(C)C)cc1 ZINC001470856670 1072775227 /nfs/dbraw/zinc/77/52/27/1072775227.db2.gz VKKLJWODJJBQRI-VXKWHMMOSA-N 0 3 395.551 3.591 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC001473997092 1074230352 /nfs/dbraw/zinc/23/03/52/1074230352.db2.gz MKZGVXSWZHLRDO-FIYPYCPBSA-N 0 3 378.944 3.805 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458758425 835395978 /nfs/dbraw/zinc/39/59/78/835395978.db2.gz XZOZQHCGYMFOBD-UHFFFAOYSA-N 0 3 384.549 3.822 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165482255 843521508 /nfs/dbraw/zinc/52/15/08/843521508.db2.gz OZIPHJLQMFTIOC-LSDHHAIUSA-N 0 3 386.471 3.565 20 10 GHCDHN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731134375 861484779 /nfs/dbraw/zinc/48/47/79/861484779.db2.gz JFWGOBXSSIJVRB-HXUWFJFHSA-N 0 3 391.475 3.641 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000503399032 847662127 /nfs/dbraw/zinc/66/21/27/847662127.db2.gz JPEDPYLOGVNOBK-LJQANCHMSA-N 0 3 382.483 3.728 20 10 GHCDHN CC[C@H](NCc1ccc2c(c1)CCCN2C)c1ccccc1OCC(=O)N(C)C ZINC000171379134 862141828 /nfs/dbraw/zinc/14/18/28/862141828.db2.gz ZAZZNXPCNLVYJL-NRFANRHFSA-N 0 3 395.547 3.777 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1N(C)C ZINC000165192474 854755915 /nfs/dbraw/zinc/75/59/15/854755915.db2.gz YEYBOXUQHPEWRQ-OAHLLOKOSA-N 0 3 375.463 3.718 20 10 GHCDHN CC(C)(C)c1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330922 862871239 /nfs/dbraw/zinc/87/12/39/862871239.db2.gz SHNKCVPSCNJALZ-UHFFFAOYSA-N 0 3 386.561 3.509 20 10 GHCDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761198725 859063330 /nfs/dbraw/zinc/06/33/30/859063330.db2.gz SRZNTDXETGCIFA-SFHVURJKSA-N 0 3 390.911 3.624 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000761199498 859064328 /nfs/dbraw/zinc/06/43/28/859064328.db2.gz PEEJBGVLTALJIR-IUODEOHRSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1[O-] ZINC000761205640 859141973 /nfs/dbraw/zinc/14/19/73/859141973.db2.gz HFDSHMQSMHDZNE-YOEHRIQHSA-N 0 3 389.801 3.678 20 10 GHCDHN Cc1ccc(C2=NO[C@@H](CNCc3ccc(N4CCC(O)CC4)cc3)C2)cc1C ZINC000895500548 859600046 /nfs/dbraw/zinc/60/00/46/859600046.db2.gz ASKDGDZTFXDTGG-HSZRJFAPSA-N 0 3 393.531 3.547 20 10 GHCDHN C[C@@H](NCc1ccc(-n2cncn2)nc1)c1ccc(N2CCCCCC2)cc1 ZINC000764956151 859698754 /nfs/dbraw/zinc/69/87/54/859698754.db2.gz HLEFQLWAKVEQOX-GOSISDBHSA-N 0 3 376.508 3.894 20 10 GHCDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765246841 859864858 /nfs/dbraw/zinc/86/48/58/859864858.db2.gz XWMLRXGQEWZTPR-SIKLNZKXSA-N 0 3 393.531 3.700 20 10 GHCDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765246842 859865063 /nfs/dbraw/zinc/86/50/63/859865063.db2.gz XWMLRXGQEWZTPR-UGKGYDQZSA-N 0 3 393.531 3.700 20 10 GHCDHN CC1(C)Cc2occc2[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000765252264 859867770 /nfs/dbraw/zinc/86/77/70/859867770.db2.gz IRXBBOVVEGBHEW-FXAWDEMLSA-N 0 3 381.520 3.785 20 10 GHCDHN COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000734150040 864012771 /nfs/dbraw/zinc/01/27/71/864012771.db2.gz XTZDRXMFOVJWHM-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000734150040 864012787 /nfs/dbraw/zinc/01/27/87/864012787.db2.gz XTZDRXMFOVJWHM-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN Cc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N2CCCCC2)c(O)c1 ZINC000184966135 865081989 /nfs/dbraw/zinc/08/19/89/865081989.db2.gz AGOCKKKLJCCNDA-KRWDZBQOSA-N 0 3 388.533 3.726 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000174372712 865742238 /nfs/dbraw/zinc/74/22/38/865742238.db2.gz HGVCRMPDAPKIHW-KRWDZBQOSA-N 0 3 395.503 3.758 20 10 GHCDHN CCOc1ccc(N(C)CC(=O)N2CCCN(Cc3ccccc3C)CC2)cc1 ZINC000739923441 865828950 /nfs/dbraw/zinc/82/89/50/865828950.db2.gz GHPSDUFRUMZSEW-UHFFFAOYSA-N 0 3 395.547 3.564 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183270714 866479219 /nfs/dbraw/zinc/47/92/19/866479219.db2.gz CPVWNZWETGTYCR-UHFFFAOYSA-N 0 3 383.488 3.600 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000183270714 866479221 /nfs/dbraw/zinc/47/92/21/866479221.db2.gz CPVWNZWETGTYCR-UHFFFAOYSA-N 0 3 383.488 3.600 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000741785156 866788106 /nfs/dbraw/zinc/78/81/06/866788106.db2.gz NNFZTELHVPHYHH-PKOBYXMFSA-N 0 3 390.524 3.630 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000741785156 866788120 /nfs/dbraw/zinc/78/81/20/866788120.db2.gz NNFZTELHVPHYHH-PKOBYXMFSA-N 0 3 390.524 3.630 20 10 GHCDHN Cc1cc(C(=O)NC[C@H]2CCCN2C)c(C)n1-c1ccc(Br)cc1 ZINC000920476048 882143839 /nfs/dbraw/zinc/14/38/39/882143839.db2.gz IGFHHNYBNLIXOM-QGZVFWFLSA-N 0 3 390.325 3.681 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c([O-])c1 ZINC000793386034 882159800 /nfs/dbraw/zinc/15/98/00/882159800.db2.gz HITMXPCXGZAZAK-LBPRGKRZSA-N 0 3 382.382 3.927 20 10 GHCDHN COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(OC)cc3[O-])c2C)cc1 ZINC000793386413 882162440 /nfs/dbraw/zinc/16/24/40/882162440.db2.gz PKUMHKLMUWBQPP-UHFFFAOYSA-N 0 3 381.476 3.561 20 10 GHCDHN Cc1ccc(O)c([C@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 ZINC000793557869 882266434 /nfs/dbraw/zinc/26/64/34/882266434.db2.gz BLHPOTDAXFLCQB-LBPRGKRZSA-N 0 3 387.423 3.974 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151533503 869505982 /nfs/dbraw/zinc/50/59/82/869505982.db2.gz VBHBQJZPBKPDPO-OAHLLOKOSA-N 0 3 387.455 3.854 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccccc1[O-] ZINC000793572256 882322794 /nfs/dbraw/zinc/32/27/94/882322794.db2.gz XQHWJBZEXOZFMJ-AUSIDOKSSA-N 0 3 393.487 3.858 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000920867880 882427436 /nfs/dbraw/zinc/42/74/36/882427436.db2.gz WKXMGXFMNNWCCL-OTWHNJEPSA-N 0 3 393.531 3.540 20 10 GHCDHN CCCCc1nnc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000766892604 872060349 /nfs/dbraw/zinc/06/03/49/872060349.db2.gz SKBRHAQBTDKQHA-UHFFFAOYSA-N 0 3 388.537 3.970 20 10 GHCDHN CN1CCN(c2ccc(CN3CCO[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000775650823 872347271 /nfs/dbraw/zinc/34/72/71/872347271.db2.gz WRTFIFYWCYLOEF-QFIPXVFZSA-N 0 3 385.939 3.665 20 10 GHCDHN COc1ccc([C@H](NC(=O)CN[C@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000182457778 872377580 /nfs/dbraw/zinc/37/75/80/872377580.db2.gz HRUUYWRJAVLKSY-IVZQSRNASA-N 0 3 386.492 3.574 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000775699482 872952471 /nfs/dbraw/zinc/95/24/71/872952471.db2.gz FMSIXWWZKGMZCJ-GDBMZVCRSA-N 0 3 394.512 3.535 20 10 GHCDHN Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768439466 873303583 /nfs/dbraw/zinc/30/35/83/873303583.db2.gz HZFGPXIHMWSTAY-OAQYLSRUSA-N 0 3 378.472 3.987 20 10 GHCDHN CC(C)[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443230 873306470 /nfs/dbraw/zinc/30/64/70/873306470.db2.gz RUKNMUSMBMMRPM-GOSISDBHSA-N 0 3 392.293 3.991 20 10 GHCDHN CC(C)[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443230 873306485 /nfs/dbraw/zinc/30/64/85/873306485.db2.gz RUKNMUSMBMMRPM-GOSISDBHSA-N 0 3 392.293 3.991 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000768998482 873763110 /nfs/dbraw/zinc/76/31/10/873763110.db2.gz NXSXTZYCRRFTTN-UHFFFAOYSA-N 0 3 380.467 3.732 20 10 GHCDHN OCCCN(Cc1ccc(Cl)c(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000769055151 873791505 /nfs/dbraw/zinc/79/15/05/873791505.db2.gz FDOQRXYYYMFPFI-UHFFFAOYSA-N 0 3 384.259 3.812 20 10 GHCDHN C[C@@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775829022 874286160 /nfs/dbraw/zinc/28/61/60/874286160.db2.gz WHJWBOLZQQHOAR-CYBMUJFWSA-N 0 3 397.416 3.878 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000769781753 874287517 /nfs/dbraw/zinc/28/75/17/874287517.db2.gz ORHBAMCASCRYJP-XMMPIXPASA-N 0 3 389.451 3.963 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000769781753 874287531 /nfs/dbraw/zinc/28/75/31/874287531.db2.gz ORHBAMCASCRYJP-XMMPIXPASA-N 0 3 389.451 3.963 20 10 GHCDHN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833876 874319614 /nfs/dbraw/zinc/31/96/14/874319614.db2.gz GVTSKDAQPKZVBI-SJORKVTESA-N 0 3 399.535 3.688 20 10 GHCDHN C[C@@H](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775838431 874332806 /nfs/dbraw/zinc/33/28/06/874332806.db2.gz YUUOSMQPMYAFMK-CQSZACIVSA-N 0 3 395.425 3.618 20 10 GHCDHN CCOCc1cc(CNCc2ccc(CN3CCCC3=O)cc2)ccc1OC ZINC001199609710 875077201 /nfs/dbraw/zinc/07/72/01/875077201.db2.gz WHYSCONYHGLBHV-UHFFFAOYSA-N 0 3 382.504 3.644 20 10 GHCDHN CC[C@@H](C)Oc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OC ZINC001199732559 875154018 /nfs/dbraw/zinc/15/40/18/875154018.db2.gz NNKHELRZNVGPBS-GOSISDBHSA-N 0 3 384.520 3.999 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2ccccc2Cl)CC1 ZINC001200870435 875371796 /nfs/dbraw/zinc/37/17/96/875371796.db2.gz XSVLCMSWKMTXFV-UHFFFAOYSA-N 0 3 375.925 3.997 20 10 GHCDHN FC(F)Oc1ccc(N2CCC(NCc3nc4c(s3)CCC4)CC2)cc1 ZINC000771828425 875498684 /nfs/dbraw/zinc/49/86/84/875498684.db2.gz WNIWVDXUALDKGS-UHFFFAOYSA-N 0 3 379.476 3.992 20 10 GHCDHN Cc1cc2ncc([C@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000772443675 875962117 /nfs/dbraw/zinc/96/21/17/875962117.db2.gz BCMNIOXQLSQXQD-IRXDYDNUSA-N 0 3 379.508 3.595 20 10 GHCDHN C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000151809160 875973914 /nfs/dbraw/zinc/97/39/14/875973914.db2.gz LRUXUHAHLVXQRT-KKSFZXQISA-N 0 3 399.922 3.633 20 10 GHCDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1Cc1ccccc1 ZINC000151865058 876035171 /nfs/dbraw/zinc/03/51/71/876035171.db2.gz YOKGGGMOBMIMBJ-UGKGYDQZSA-N 0 3 390.531 3.525 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3cccc(OC)c3OC(F)F)C2)cc1 ZINC000850346002 876837212 /nfs/dbraw/zinc/83/72/12/876837212.db2.gz PFLABSVYEAUTLC-OAHLLOKOSA-N 0 3 378.419 3.674 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCc2c(C3CC3)cnn2C)c1O ZINC000850534648 877005557 /nfs/dbraw/zinc/00/55/57/877005557.db2.gz LMBSXYZUUFCMEB-JTQLQIEISA-N 0 3 380.286 3.625 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000850565909 877032139 /nfs/dbraw/zinc/03/21/39/877032139.db2.gz JPLPMSNMBOOICY-QGZVFWFLSA-N 0 3 382.504 3.660 20 10 GHCDHN O=C1Nc2ccccc2S[C@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841466 877937222 /nfs/dbraw/zinc/93/72/22/877937222.db2.gz SKCQHYANRATPIH-UTKZUKDTSA-N 0 3 398.528 3.876 20 10 GHCDHN O=C1Nc2ccccc2S[C@H]1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841466 877937231 /nfs/dbraw/zinc/93/72/31/877937231.db2.gz SKCQHYANRATPIH-UTKZUKDTSA-N 0 3 398.528 3.876 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788644891 878204396 /nfs/dbraw/zinc/20/43/96/878204396.db2.gz VNQYTUHSXLZPKU-OAHLLOKOSA-N 0 3 396.578 3.952 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000789901265 879346653 /nfs/dbraw/zinc/34/66/53/879346653.db2.gz HAARRUJIHRFPCJ-QHCPKHFHSA-N 0 3 396.579 3.847 20 10 GHCDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1cc(Br)cc(Br)c1[O-] ZINC000854221902 879638580 /nfs/dbraw/zinc/63/85/80/879638580.db2.gz ARXQRRKVWZTHJA-SECBINFHSA-N 0 3 392.135 3.839 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000858543004 883185923 /nfs/dbraw/zinc/18/59/23/883185923.db2.gz OKPSOBOEPNJRML-QGZVFWFLSA-N 0 3 397.544 3.853 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1[O-] ZINC000859230049 883681425 /nfs/dbraw/zinc/68/14/25/883681425.db2.gz UEROPPJEBMNQPY-ZBEGNZNMSA-N 0 3 375.266 3.759 20 10 GHCDHN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000897984614 884544215 /nfs/dbraw/zinc/54/42/15/884544215.db2.gz BROKPEMLHDZKEP-GOSISDBHSA-N 0 3 377.444 3.667 20 10 GHCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1 ZINC000806846607 885022590 /nfs/dbraw/zinc/02/25/90/885022590.db2.gz UZEBMFCTIFRMJW-CVDCTZTESA-N 0 3 390.531 3.525 20 10 GHCDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000807441644 885475566 /nfs/dbraw/zinc/47/55/66/885475566.db2.gz LZDZKPXJYMCZNF-KXBFYZLASA-N 0 3 385.508 3.793 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808452143 886362146 /nfs/dbraw/zinc/36/21/46/886362146.db2.gz ZLILCFOOEPYFHO-WKILWMFISA-N 0 3 378.513 3.822 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1[O-] ZINC000808713048 886697022 /nfs/dbraw/zinc/69/70/22/886697022.db2.gz DXXIAYHIUHUMAC-CQSZACIVSA-N 0 3 394.924 3.745 20 10 GHCDHN COc1cccc(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1O ZINC000809740106 887775542 /nfs/dbraw/zinc/77/55/42/887775542.db2.gz LJNOHHLPUAZNJQ-UHFFFAOYSA-N 0 3 377.366 3.895 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c([O-])c1 ZINC000809751991 887789934 /nfs/dbraw/zinc/78/99/34/887789934.db2.gz LZWRPDRNQSRRKP-MRXNPFEDSA-N 0 3 382.382 3.858 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c([O-])c1 ZINC000809751991 887789948 /nfs/dbraw/zinc/78/99/48/887789948.db2.gz LZWRPDRNQSRRKP-MRXNPFEDSA-N 0 3 382.382 3.858 20 10 GHCDHN COc1c(C)cnc(CN2CCC([N@H+](C)Cc3cc(F)ccc3[O-])CC2)c1C ZINC000809764541 887804732 /nfs/dbraw/zinc/80/47/32/887804732.db2.gz IUWUDHLQXZQVPI-UHFFFAOYSA-N 0 3 387.499 3.648 20 10 GHCDHN COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3cc(F)ccc3[O-])CC2)c1C ZINC000809764541 887804736 /nfs/dbraw/zinc/80/47/36/887804736.db2.gz IUWUDHLQXZQVPI-UHFFFAOYSA-N 0 3 387.499 3.648 20 10 GHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794813054 888182640 /nfs/dbraw/zinc/18/26/40/888182640.db2.gz BCVOOCDFBYSTPM-VQTJNVASSA-N 0 3 384.476 3.564 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866534023 888923052 /nfs/dbraw/zinc/92/30/52/888923052.db2.gz YYGSAJQRWBNQBV-UKRRQHHQSA-N 0 3 384.314 3.699 20 10 GHCDHN COc1ccc(CNCc2ccc(OCc3ccccc3)cc2O)c(OC)n1 ZINC000811517793 889671385 /nfs/dbraw/zinc/67/13/85/889671385.db2.gz CJHIPSWZXOMRQF-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(C4OCCO4)c3)c2)CC1 ZINC000123281070 890487751 /nfs/dbraw/zinc/48/77/51/890487751.db2.gz SBFICRMEWFQCQA-UHFFFAOYSA-N 0 3 395.503 3.515 20 10 GHCDHN Cc1nc(C)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000123352093 890540504 /nfs/dbraw/zinc/54/05/04/890540504.db2.gz MZSBYTUOGQQBJN-UHFFFAOYSA-N 0 3 385.455 3.905 20 10 GHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(Br)cc1OCCCO ZINC000812784002 890963456 /nfs/dbraw/zinc/96/34/56/890963456.db2.gz QEGHMIOLZDIBOX-ZDUSSCGKSA-N 0 3 380.282 3.767 20 10 GHCDHN CC(C)Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N(C)C)cc1 ZINC000813752677 891922660 /nfs/dbraw/zinc/92/26/60/891922660.db2.gz LOJQESXVUSKRKZ-MEJUDOHFSA-N 0 3 382.504 3.729 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176087 892329800 /nfs/dbraw/zinc/32/98/00/892329800.db2.gz MAYNZMOJJBTKHG-YJBOKZPZSA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176087 892329816 /nfs/dbraw/zinc/32/98/16/892329816.db2.gz MAYNZMOJJBTKHG-YJBOKZPZSA-N 0 3 376.497 3.622 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(OC(C)(C)C)c2)N(C)C)cc1 ZINC001134686856 893201286 /nfs/dbraw/zinc/20/12/86/893201286.db2.gz YJSZRTSIFOVMDH-OAQYLSRUSA-N 0 3 383.536 3.963 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)N(C)C)cc1 ZINC001134686469 893201739 /nfs/dbraw/zinc/20/17/39/893201739.db2.gz LBBNKEUICVLOOL-ZACQAIPSSA-N 0 3 391.968 3.990 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)N(C)C)cc1 ZINC001134881835 893502759 /nfs/dbraw/zinc/50/27/59/893502759.db2.gz IFKUCGJYJITCAA-PWRODBHTSA-N 0 3 385.939 3.929 20 10 GHCDHN COC1CCN(c2ccc(CN3Cc4ncccc4N4CCC[C@H]4C3)cc2)CC1 ZINC000934492169 893673726 /nfs/dbraw/zinc/67/37/26/893673726.db2.gz KQVQQSFCGMUBKT-NRFANRHFSA-N 0 3 392.547 3.681 20 10 GHCDHN CC(C)(C)S(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815592256 894030841 /nfs/dbraw/zinc/03/08/41/894030841.db2.gz DAYCBUQHCMPASH-IBGZPJMESA-N 0 3 375.534 3.869 20 10 GHCDHN COC1CCN(c2ccc(CN3Cc4cccnc4N4CCC[C@@H]4C3)cc2)CC1 ZINC000879500745 895094699 /nfs/dbraw/zinc/09/46/99/895094699.db2.gz XJPSAWFRTIJQKE-JOCHJYFZSA-N 0 3 392.547 3.681 20 10 GHCDHN CCCNCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817962240 895978399 /nfs/dbraw/zinc/97/83/99/895978399.db2.gz JUVISEIGISLLIP-SECBINFHSA-N 0 3 380.124 3.567 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000883290628 897456108 /nfs/dbraw/zinc/45/61/08/897456108.db2.gz AOOODOJLYJRYCB-IBGZPJMESA-N 0 3 389.547 3.690 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccnc3Cl)cc2F)CC1 ZINC000155275221 898551068 /nfs/dbraw/zinc/55/10/68/898551068.db2.gz LLCQBKYZDKYXKV-OAHLLOKOSA-N 0 3 376.907 3.867 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133789595 899000763 /nfs/dbraw/zinc/00/07/63/899000763.db2.gz XIKMBNJSECZZFP-SJORKVTESA-N 0 3 389.565 3.805 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824953494 899904712 /nfs/dbraw/zinc/90/47/12/899904712.db2.gz KTEJOEJPXHODPF-CVEARBPZSA-N 0 3 393.281 3.568 20 10 GHCDHN [O-]c1ccccc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000134603732 900092509 /nfs/dbraw/zinc/09/25/09/900092509.db2.gz WRZWUERDWVFKOX-UHFFFAOYSA-N 0 3 375.310 3.909 20 10 GHCDHN Cc1cc(O)c(CNc2cc(N3CCOCC3)c(Br)cn2)cc1C ZINC000825312943 900115517 /nfs/dbraw/zinc/11/55/17/900115517.db2.gz ZLSFMPMDHRVZCW-UHFFFAOYSA-N 0 3 392.297 3.615 20 10 GHCDHN CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)c1 ZINC000886506413 901095547 /nfs/dbraw/zinc/09/55/47/901095547.db2.gz RBIZPCJYNBNCQO-IBGZPJMESA-N 0 3 396.457 3.762 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c1[O-] ZINC000846039261 902624452 /nfs/dbraw/zinc/62/44/52/902624452.db2.gz QBVIJWLAEYVWHR-KZULUSFZSA-N 0 3 380.282 3.549 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c1[O-] ZINC000846039262 902624549 /nfs/dbraw/zinc/62/45/49/902624549.db2.gz QBVIJWLAEYVWHR-SGTLLEGYSA-N 0 3 380.282 3.549 20 10 GHCDHN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000846082164 902658388 /nfs/dbraw/zinc/65/83/88/902658388.db2.gz NOPHRWQKKDUBDC-IRXDYDNUSA-N 0 3 383.444 3.781 20 10 GHCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1O ZINC000846163289 902735394 /nfs/dbraw/zinc/73/53/94/902735394.db2.gz HDSMQSRQKQDMDL-WFASDCNBSA-N 0 3 394.393 3.876 20 10 GHCDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000846206791 902756221 /nfs/dbraw/zinc/75/62/21/902756221.db2.gz SUUBYRIKCRYKIW-UHFFFAOYSA-N 0 3 393.491 3.985 20 10 GHCDHN C[C@@H](NCCOc1ncccc1Cl)c1ccc(N2CCOCC2)cc1Cl ZINC000773059043 904406879 /nfs/dbraw/zinc/40/68/79/904406879.db2.gz KPLUVXCRVUSGBO-CQSZACIVSA-N 0 3 396.318 3.955 20 10 GHCDHN C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773133134 904461378 /nfs/dbraw/zinc/46/13/78/904461378.db2.gz QMHIYHSFVAYUTI-MAUKXSAKSA-N 0 3 392.902 3.570 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000190004177 905477610 /nfs/dbraw/zinc/47/76/10/905477610.db2.gz RZVGUNLLAICVGQ-UHFFFAOYSA-N 0 3 384.904 3.933 20 10 GHCDHN CN1CCN(c2ccc(-n3c(=N)ccc(/N=N/c4ccccc4)c3N)cc2)CC1 ZINC001174814003 907244752 /nfs/dbraw/zinc/24/47/52/907244752.db2.gz AMCPSVBZIMRDEF-ALNQNNHBSA-N 0 3 387.491 3.706 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC001175418328 907541928 /nfs/dbraw/zinc/54/19/28/907541928.db2.gz HHPMJADEGMWMFF-SJORKVTESA-N 0 3 390.524 3.849 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c([O-])c1 ZINC000185180931 907728029 /nfs/dbraw/zinc/72/80/29/907728029.db2.gz PAJUXGIFANLTSO-KURKYZTESA-N 0 3 382.504 3.801 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1[O-] ZINC000186973693 908013462 /nfs/dbraw/zinc/01/34/62/908013462.db2.gz DYDUYXVBSRMTCA-ZDUSSCGKSA-N 0 3 393.329 3.674 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3ccccc3)[C@H]3CCCO3)cc2F)CC1 ZINC001177506960 908606941 /nfs/dbraw/zinc/60/69/41/908606941.db2.gz XFVARWZEUPNCKB-DHIUTWEWSA-N 0 3 383.511 3.587 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1F ZINC001177864625 908781982 /nfs/dbraw/zinc/78/19/82/908781982.db2.gz NIUUZXBVGLLFNW-FQEVSTJZSA-N 0 3 383.483 3.814 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268953417 910080783 /nfs/dbraw/zinc/08/07/83/910080783.db2.gz YFGUYHMSNSKXPM-CVEARBPZSA-N 0 3 397.494 3.593 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000269448806 910271878 /nfs/dbraw/zinc/27/18/78/910271878.db2.gz OYQXGZJAEMVNAL-HNNXBMFYSA-N 0 3 399.491 3.598 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC001181374464 910733723 /nfs/dbraw/zinc/73/37/23/910733723.db2.gz YPBZURQSRNVEKZ-IBGZPJMESA-N 0 3 398.503 3.848 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC001181374464 910733742 /nfs/dbraw/zinc/73/37/42/910733742.db2.gz YPBZURQSRNVEKZ-IBGZPJMESA-N 0 3 398.503 3.848 20 10 GHCDHN COc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000271023922 910758869 /nfs/dbraw/zinc/75/88/69/910758869.db2.gz VMEMATAZILNVQP-SFHVURJKSA-N 0 3 387.476 3.599 20 10 GHCDHN CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c([O-])c1 ZINC000271182927 910808679 /nfs/dbraw/zinc/80/86/79/910808679.db2.gz POYKKHYYKUZPDI-UHFFFAOYSA-N 0 3 384.476 3.737 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000247077828 910953537 /nfs/dbraw/zinc/95/35/37/910953537.db2.gz OROUPXANXPDJOI-WZONZLPQSA-N 0 3 395.547 3.902 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000283187681 911403303 /nfs/dbraw/zinc/40/33/03/911403303.db2.gz QKMPJDZIODQKQZ-KNQAVFIVSA-N 0 3 394.515 3.536 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000283187681 911403318 /nfs/dbraw/zinc/40/33/18/911403318.db2.gz QKMPJDZIODQKQZ-KNQAVFIVSA-N 0 3 394.515 3.536 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000774490234 911793750 /nfs/dbraw/zinc/79/37/50/911793750.db2.gz GIFFOVQMCPQPGU-SNVBAGLBSA-N 0 3 391.386 3.804 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)ccc1[O-] ZINC000774510837 911853807 /nfs/dbraw/zinc/85/38/07/911853807.db2.gz RXUOJGRXEZROLC-BDJLRTHQSA-N 0 3 393.256 3.750 20 10 GHCDHN CSc1cccc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775255451 916654358 /nfs/dbraw/zinc/65/43/58/916654358.db2.gz QRGHTFZPNRPZSM-MRXNPFEDSA-N 0 3 385.533 3.534 20 10 GHCDHN Cc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000775259485 916699404 /nfs/dbraw/zinc/69/94/04/916699404.db2.gz UVEGBXLHTQJARK-UXHICEINSA-N 0 3 395.547 3.668 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000775372721 917251141 /nfs/dbraw/zinc/25/11/41/917251141.db2.gz HCLCETXGQBEYNT-MRXNPFEDSA-N 0 3 383.492 3.599 20 10 GHCDHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000775410862 917553789 /nfs/dbraw/zinc/55/37/89/917553789.db2.gz NGZBXPWDIPECNR-YLJYHZDGSA-N 0 3 383.511 3.981 20 10 GHCDHN CNc1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000902078484 921859057 /nfs/dbraw/zinc/85/90/57/921859057.db2.gz MFAPBZXQJSOGLT-UHFFFAOYSA-N 0 3 379.426 3.874 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(CC2CCC2)c1 ZINC000903075630 922750666 /nfs/dbraw/zinc/75/06/66/922750666.db2.gz ATHYWJIQUCQKDT-GOSISDBHSA-N 0 3 382.552 3.743 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000753544196 929401586 /nfs/dbraw/zinc/40/15/86/929401586.db2.gz UZVGIYYAUCXHBG-MJGOQNOKSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000753544196 929401591 /nfs/dbraw/zinc/40/15/91/929401591.db2.gz UZVGIYYAUCXHBG-MJGOQNOKSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000753544196 929401598 /nfs/dbraw/zinc/40/15/98/929401598.db2.gz UZVGIYYAUCXHBG-MJGOQNOKSA-N 0 3 381.394 3.859 20 10 GHCDHN O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753544293 929401939 /nfs/dbraw/zinc/40/19/39/929401939.db2.gz WEZMGODUOQIDQI-OAQYLSRUSA-N 0 3 394.515 3.948 20 10 GHCDHN O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753544293 929401944 /nfs/dbraw/zinc/40/19/44/929401944.db2.gz WEZMGODUOQIDQI-OAQYLSRUSA-N 0 3 394.515 3.948 20 10 GHCDHN Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000757905410 929850202 /nfs/dbraw/zinc/85/02/02/929850202.db2.gz GULRXMCIHIVXJZ-UHFFFAOYSA-N 0 3 381.245 3.721 20 10 GHCDHN CN1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)[C@H]1c1ccccc1 ZINC000758968575 930231816 /nfs/dbraw/zinc/23/18/16/930231816.db2.gz YIOOTRFZDQKUFQ-IFMALSPDSA-N 0 3 379.504 3.516 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000759654298 930440367 /nfs/dbraw/zinc/44/03/67/930440367.db2.gz APWSHOZCWBLETM-VXKWHMMOSA-N 0 3 380.536 3.730 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C2CC2)cc1 ZINC000759659222 930442571 /nfs/dbraw/zinc/44/25/71/930442571.db2.gz NDPJSKXJXBBAGP-DHIUTWEWSA-N 0 3 392.547 3.872 20 10 GHCDHN Cc1cc2c(ncnc2N2CCN(Cc3cc4c(cc3O)CCC4)CC2)s1 ZINC000780482541 930530926 /nfs/dbraw/zinc/53/09/26/930530926.db2.gz FEMMDQVNBMDXFS-UHFFFAOYSA-N 0 3 380.517 3.516 20 10 GHCDHN Cc1cccc2nc(C3CC[NH+](Cc4cc5c(cc4[O-])OC[C@@H]5O)CC3)oc21 ZINC000780503904 930535556 /nfs/dbraw/zinc/53/55/56/930535556.db2.gz OQWLWDVTKSQXNP-IBGZPJMESA-N 0 3 380.444 3.647 20 10 GHCDHN C[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000927017742 932382415 /nfs/dbraw/zinc/38/24/15/932382415.db2.gz ZIPVLBHMXYVVET-AEFFLSMTSA-N 0 3 394.943 3.555 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000798935635 932823113 /nfs/dbraw/zinc/82/31/13/932823113.db2.gz QEKFIEIOAJCEGH-GAJHUEQPSA-N 0 3 382.504 3.742 20 10 GHCDHN O=C([N-]CC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)C(F)(F)F ZINC000798956354 932838750 /nfs/dbraw/zinc/83/87/50/932838750.db2.gz TUYKKYYZQRPPJP-UHFFFAOYSA-N 0 3 383.458 3.567 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000799738621 933106944 /nfs/dbraw/zinc/10/69/44/933106944.db2.gz HICQGDRVCSNCDS-INIZCTEOSA-N 0 3 378.513 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000799738621 933106948 /nfs/dbraw/zinc/10/69/48/933106948.db2.gz HICQGDRVCSNCDS-INIZCTEOSA-N 0 3 378.513 3.918 20 10 GHCDHN CC[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001221623445 1032486103 /nfs/dbraw/zinc/48/61/03/1032486103.db2.gz MYDMHPAJGXKPPJ-XMSQKQJNSA-N 0 3 382.552 3.848 20 10 GHCDHN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204322087 1032766649 /nfs/dbraw/zinc/76/66/49/1032766649.db2.gz HVEKVPMXYHCTGK-CVDCTZTESA-N 0 3 393.506 3.772 20 10 GHCDHN COc1cc(CN2CC[C@@H](c3ccc(Br)cc3)C2)cc(O)c1O ZINC001204346009 1032785247 /nfs/dbraw/zinc/78/52/47/1032785247.db2.gz ZZCGLYGKUDCEJE-CQSZACIVSA-N 0 3 378.266 3.858 20 10 GHCDHN CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140338293 1021443477 /nfs/dbraw/zinc/44/34/77/1021443477.db2.gz DPRDCLSKBRWCFD-MRXNPFEDSA-N 0 3 390.911 3.894 20 10 GHCDHN CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000834887558 1021617641 /nfs/dbraw/zinc/61/76/41/1021617641.db2.gz TZTGIQNMJRWRKY-HNNXBMFYSA-N 0 3 385.483 3.805 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1[O-] ZINC000834897763 1021642209 /nfs/dbraw/zinc/64/22/09/1021642209.db2.gz VGAZBDOOTAYTRI-JDFRZJQESA-N 0 3 394.313 3.768 20 10 GHCDHN COC(=O)c1ccc(CN2CCN(Cc3ccc(Cl)cc3O)[C@@H](C)C2)cc1 ZINC001140467516 1021762382 /nfs/dbraw/zinc/76/23/82/1021762382.db2.gz WGSCKYICEFMXAC-HNNXBMFYSA-N 0 3 388.895 3.539 20 10 GHCDHN Cc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 ZINC001140623803 1022098220 /nfs/dbraw/zinc/09/82/20/1022098220.db2.gz SGOKHQDYECPLHE-GJZGRUSLSA-N 0 3 388.430 3.978 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(O)c1 ZINC001140856791 1022713889 /nfs/dbraw/zinc/71/38/89/1022713889.db2.gz IFLCKHNQEKTNJY-HXUWFJFHSA-N 0 3 399.510 3.772 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC(=O)N(CC4CC4)C3)CC2)c(Cl)c1 ZINC001140926915 1022904027 /nfs/dbraw/zinc/90/40/27/1022904027.db2.gz ZEPQFRUOZRVPJP-UHFFFAOYSA-N 0 3 375.944 3.631 20 10 GHCDHN O[C@]1(C(F)(F)F)CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1F ZINC001141074498 1023433268 /nfs/dbraw/zinc/43/32/68/1023433268.db2.gz JYVRCWHSQOQIHY-PKOBYXMFSA-N 0 3 386.433 3.613 20 10 GHCDHN CN(CC1CCN(Cc2ccc3c(c2)OCCN3C)CC1)C(=O)OC(C)(C)C ZINC001141143202 1023578278 /nfs/dbraw/zinc/57/82/78/1023578278.db2.gz PCYIUGQOGWNEOB-UHFFFAOYSA-N 0 3 389.540 3.594 20 10 GHCDHN COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000756361436 1023606550 /nfs/dbraw/zinc/60/65/50/1023606550.db2.gz ZGDHWACRCANXOP-IBGZPJMESA-N 0 3 383.536 3.572 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756476299 1023674016 /nfs/dbraw/zinc/67/40/16/1023674016.db2.gz RXYCBMJOKXDERU-ZMYBRWDISA-N 0 3 388.458 3.882 20 10 GHCDHN COCCN(CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)OC(C)(C)C ZINC000756780837 1023813040 /nfs/dbraw/zinc/81/30/40/1023813040.db2.gz WBMVLTULHQVURH-UKRRQHHQSA-N 0 3 382.476 3.553 20 10 GHCDHN Cc1c(CN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2n1C ZINC001138258046 1024485459 /nfs/dbraw/zinc/48/54/59/1024485459.db2.gz JIRKDPCQTJSWPZ-UHFFFAOYSA-N 0 3 377.488 3.580 20 10 GHCDHN COCCOc1ccccc1N1CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138260126 1024490358 /nfs/dbraw/zinc/49/03/58/1024490358.db2.gz VQFBARAYACBLJA-UHFFFAOYSA-N 0 3 393.531 3.834 20 10 GHCDHN CN1C(=O)C2(CCN(Cc3ccc4c(c3)CCCN4C)CC2)[C@H]1c1ccccc1 ZINC001138355953 1024720264 /nfs/dbraw/zinc/72/02/64/1024720264.db2.gz CQVYPQZAZGIHPK-HSZRJFAPSA-N 0 3 389.543 3.865 20 10 GHCDHN Fc1cc(CNCc2ccc(Br)cc2)cc(F)c1N1CCOCC1 ZINC000839146829 1025639929 /nfs/dbraw/zinc/63/99/29/1025639929.db2.gz WRHPRAWTXGPKCE-UHFFFAOYSA-N 0 3 397.263 3.854 20 10 GHCDHN Fc1cc(CNCc2cccc(Br)c2)cc(F)c1N1CCOCC1 ZINC000839146684 1025644089 /nfs/dbraw/zinc/64/40/89/1025644089.db2.gz QVHVDVVEWVMVBQ-UHFFFAOYSA-N 0 3 397.263 3.854 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140055214 1026835678 /nfs/dbraw/zinc/83/56/78/1026835678.db2.gz BPVCZCKIBJQYGV-FCHUYYIVSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140055214 1026835689 /nfs/dbraw/zinc/83/56/89/1026835689.db2.gz BPVCZCKIBJQYGV-FCHUYYIVSA-N 0 3 386.467 3.514 20 10 GHCDHN CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140058731 1026838308 /nfs/dbraw/zinc/83/83/08/1026838308.db2.gz JWKWMUQJMVQQSE-UHFFFAOYSA-N 0 3 386.467 3.713 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062680 1026842428 /nfs/dbraw/zinc/84/24/28/1026842428.db2.gz DEXPEITUCONRQC-PXNSSMCTSA-N 0 3 382.451 3.702 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062680 1026842435 /nfs/dbraw/zinc/84/24/35/1026842435.db2.gz DEXPEITUCONRQC-PXNSSMCTSA-N 0 3 382.451 3.702 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001140063692 1026844234 /nfs/dbraw/zinc/84/42/34/1026844234.db2.gz WCGYMMWWHMOKAM-UHFFFAOYSA-N 0 3 388.458 3.537 20 10 GHCDHN COc1cccc(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c1O ZINC001203601990 1027466860 /nfs/dbraw/zinc/46/68/60/1027466860.db2.gz VOUDXBNZUNDRJF-UHFFFAOYSA-N 0 3 382.382 3.622 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cccc(O)c4)C3)C2)cc1 ZINC001203861235 1027667572 /nfs/dbraw/zinc/66/75/72/1027667572.db2.gz SSGDPVKOCLPDLN-QHCPKHFHSA-N 0 3 382.504 3.520 20 10 GHCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(-n2ccnc2)cc1 ZINC000840761100 1027804431 /nfs/dbraw/zinc/80/44/31/1027804431.db2.gz QFQWJPVOLGJNRD-MRXNPFEDSA-N 0 3 398.457 3.838 20 10 GHCDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000840845028 1027879024 /nfs/dbraw/zinc/87/90/24/1027879024.db2.gz ZTTIAKARZOYLLY-LBPRGKRZSA-N 0 3 383.897 3.699 20 10 GHCDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001461583521 1069623169 /nfs/dbraw/zinc/62/31/69/1069623169.db2.gz GAOJXLKJOQBCRL-XMSQKQJNSA-N 0 3 388.939 3.981 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000404680779 1029947085 /nfs/dbraw/zinc/94/70/85/1029947085.db2.gz KMCUFYDLNDUZOT-UHFFFAOYSA-N 0 3 384.904 3.839 20 10 GHCDHN Cc1cc(O[C@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218309739 1030885339 /nfs/dbraw/zinc/88/53/39/1030885339.db2.gz VFHBUNNGAKISTC-AWEZNQCLSA-N 0 3 377.440 3.530 20 10 GHCDHN COC(=O)c1c(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c2cc(F)ccc2n1C ZINC001205270210 1033334660 /nfs/dbraw/zinc/33/46/60/1033334660.db2.gz UMVIEQAPENXKSG-ZWKOTPCHSA-N 0 3 376.472 3.786 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001157436136 1033588417 /nfs/dbraw/zinc/58/84/17/1033588417.db2.gz ZMWNDRKAJGFNBJ-ZJSXRUAMSA-N 0 3 396.506 3.774 20 10 GHCDHN CC[C@H]1[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231468453 1034612051 /nfs/dbraw/zinc/61/20/51/1034612051.db2.gz YVRJBYFMUADLDK-VWNXMTODSA-N 0 3 394.515 3.994 20 10 GHCDHN CC[C@H]1[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231468453 1034612062 /nfs/dbraw/zinc/61/20/62/1034612062.db2.gz YVRJBYFMUADLDK-VWNXMTODSA-N 0 3 394.515 3.994 20 10 GHCDHN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc3c(c2)CNC3)cc1 ZINC001159523948 1034640028 /nfs/dbraw/zinc/64/00/28/1034640028.db2.gz VXYOEVHABZWXAS-UHFFFAOYSA-N 0 3 379.485 3.707 20 10 GHCDHN COc1ccc(Br)c(C[NH+]2CCC(c3ccccn3)CC2)c1[O-] ZINC001231554368 1034706381 /nfs/dbraw/zinc/70/63/81/1034706381.db2.gz QAAXRFHJYWSWGN-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1ccc(Br)c(CN2CCC(c3ccccn3)CC2)c1O ZINC001231554368 1034706395 /nfs/dbraw/zinc/70/63/95/1034706395.db2.gz QAAXRFHJYWSWGN-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1cc(CN2CCC(Oc3ccc(F)cc3Cl)CC2)c(O)cc1O ZINC001231634842 1034793601 /nfs/dbraw/zinc/79/36/01/1034793601.db2.gz BSOGXWKWANTJHP-UHFFFAOYSA-N 0 3 381.831 3.942 20 10 GHCDHN Cc1cc([N+](=O)[O-])cnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160616780 1035016576 /nfs/dbraw/zinc/01/65/76/1035016576.db2.gz USPSNPVDRJMWOC-RTBURBONSA-N 0 3 380.404 3.563 20 10 GHCDHN Cc1cc2c(ncnc2N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])[nH]1 ZINC001160616700 1035016614 /nfs/dbraw/zinc/01/66/14/1035016614.db2.gz POPKZMRLLHDCGZ-RTBURBONSA-N 0 3 375.432 3.531 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ncnc2c1CCCC2)c1ccccc1O ZINC001160619097 1035017870 /nfs/dbraw/zinc/01/78/70/1035017870.db2.gz QWJBGBAWOFSXNR-NHCUHLMSSA-N 0 3 376.460 3.620 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3c[nH]c4ccc(C)cc34)CC2)cc1 ZINC001209500143 1035294040 /nfs/dbraw/zinc/29/40/40/1035294040.db2.gz RTNXNBTZLVAWOF-UHFFFAOYSA-N 0 3 379.504 3.824 20 10 GHCDHN COc1cc(I)cc(C[N@H+](C)Cc2cccc(C)c2)c1[O-] ZINC001248386080 1035796559 /nfs/dbraw/zinc/79/65/59/1035796559.db2.gz HNWQTZXHVLLHPW-UHFFFAOYSA-N 0 3 397.256 3.946 20 10 GHCDHN COc1cc(I)cc(C[N@@H+](C)Cc2cccc(C)c2)c1[O-] ZINC001248386080 1035796580 /nfs/dbraw/zinc/79/65/80/1035796580.db2.gz HNWQTZXHVLLHPW-UHFFFAOYSA-N 0 3 397.256 3.946 20 10 GHCDHN CCOc1cc(NC2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)ncn1 ZINC001462050726 1069967399 /nfs/dbraw/zinc/96/73/99/1069967399.db2.gz IGAFIXCZCFKKAV-WAYWQWQTSA-N 0 3 381.524 3.531 20 10 GHCDHN COc1cc([O-])c(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1Cl ZINC001232269059 1037992448 /nfs/dbraw/zinc/99/24/48/1037992448.db2.gz ZYVJOGUASFZIAQ-KDURUIRLSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc([O-])c(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1Cl ZINC001232269059 1037992451 /nfs/dbraw/zinc/99/24/51/1037992451.db2.gz ZYVJOGUASFZIAQ-KDURUIRLSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cc(F)ccc4N)C3)C2)cc1 ZINC001232509382 1038278593 /nfs/dbraw/zinc/27/85/93/1038278593.db2.gz WHTOKSKUIVUXIT-QHCPKHFHSA-N 0 3 399.510 3.536 20 10 GHCDHN CN(C)c1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(O)c1 ZINC001232834733 1038587851 /nfs/dbraw/zinc/58/78/51/1038587851.db2.gz KYASHIYGXGUTIW-UHFFFAOYSA-N 0 3 393.453 3.795 20 10 GHCDHN CCOC(=O)c1c(CN2CCCC[C@H](C(=O)OCC)C2)c2ccccc2n1C ZINC001233273055 1039040826 /nfs/dbraw/zinc/04/08/26/1039040826.db2.gz MHWFHJBWYKQPLR-INIZCTEOSA-N 0 3 386.492 3.520 20 10 GHCDHN CCOC(=O)c1c(CN2CCC[C@H](c3nc(CC)no3)C2)c2ccccc2n1C ZINC001233273364 1039040858 /nfs/dbraw/zinc/04/08/58/1039040858.db2.gz ZMUBHDLDSUBUEF-HNNXBMFYSA-N 0 3 396.491 3.680 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1O ZINC001233287715 1039064961 /nfs/dbraw/zinc/06/49/61/1039064961.db2.gz DPJMRXKDBWVBSQ-HIFRSBDPSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1[O-] ZINC001233287715 1039064982 /nfs/dbraw/zinc/06/49/82/1039064982.db2.gz DPJMRXKDBWVBSQ-HIFRSBDPSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1[O-] ZINC001233287715 1039065001 /nfs/dbraw/zinc/06/50/01/1039065001.db2.gz DPJMRXKDBWVBSQ-HIFRSBDPSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233287819 1039068403 /nfs/dbraw/zinc/06/84/03/1039068403.db2.gz IKNBZVMLGVHPGS-OAHLLOKOSA-N 0 3 384.904 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233287819 1039068418 /nfs/dbraw/zinc/06/84/18/1039068418.db2.gz IKNBZVMLGVHPGS-OAHLLOKOSA-N 0 3 384.904 3.886 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761524 1039595228 /nfs/dbraw/zinc/59/52/28/1039595228.db2.gz VDGHYGRXOSMWCB-LBPRGKRZSA-N 0 3 390.402 3.637 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761524 1039595245 /nfs/dbraw/zinc/59/52/45/1039595245.db2.gz VDGHYGRXOSMWCB-LBPRGKRZSA-N 0 3 390.402 3.637 20 10 GHCDHN [O-]c1c(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233775870 1039605998 /nfs/dbraw/zinc/60/59/98/1039605998.db2.gz FILRWWZOKYSLTN-HZPDHXFCSA-N 0 3 378.394 3.859 20 10 GHCDHN CCn1ncc2c1[C@H](COC)C[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234535731 1040107983 /nfs/dbraw/zinc/10/79/83/1040107983.db2.gz FPMNOFVLPJLUMQ-KRWDZBQOSA-N 0 3 381.476 3.516 20 10 GHCDHN CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234535731 1040107995 /nfs/dbraw/zinc/10/79/95/1040107995.db2.gz FPMNOFVLPJLUMQ-KRWDZBQOSA-N 0 3 381.476 3.516 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4[C@@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546019 1040117311 /nfs/dbraw/zinc/11/73/11/1040117311.db2.gz WTRUQDOGBRLTSR-UWJYYQICSA-N 0 3 382.504 3.633 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4[C@@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546019 1040117323 /nfs/dbraw/zinc/11/73/23/1040117323.db2.gz WTRUQDOGBRLTSR-UWJYYQICSA-N 0 3 382.504 3.633 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(Oc4nccc(C)n4)CC3)c2c1 ZINC001234569284 1040136489 /nfs/dbraw/zinc/13/64/89/1040136489.db2.gz KPMHAUYSVVJWJB-UHFFFAOYSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC3)OC(=O)c3ccncc34)c2c1 ZINC001234569579 1040137160 /nfs/dbraw/zinc/13/71/60/1040137160.db2.gz POLJJNNRZSDUJC-UHFFFAOYSA-N 0 3 390.439 3.611 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234996093 1040490511 /nfs/dbraw/zinc/49/05/11/1040490511.db2.gz UYDUMAVPXOEQKY-PXNSSMCTSA-N 0 3 388.467 3.999 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234996093 1040490515 /nfs/dbraw/zinc/49/05/15/1040490515.db2.gz UYDUMAVPXOEQKY-PXNSSMCTSA-N 0 3 388.467 3.999 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679513 1041141144 /nfs/dbraw/zinc/14/11/44/1041141144.db2.gz PGTOHTTVTCQBJC-HYBUGGRVSA-N 0 3 393.531 3.613 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679513 1041141151 /nfs/dbraw/zinc/14/11/51/1041141151.db2.gz PGTOHTTVTCQBJC-HYBUGGRVSA-N 0 3 393.531 3.613 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)c([O-])c1 ZINC001235685957 1041154686 /nfs/dbraw/zinc/15/46/86/1041154686.db2.gz VXPRSYSHYQJSIN-HSZRJFAPSA-N 0 3 379.504 3.714 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)c([O-])c1 ZINC001235685957 1041154699 /nfs/dbraw/zinc/15/46/99/1041154699.db2.gz VXPRSYSHYQJSIN-HSZRJFAPSA-N 0 3 379.504 3.714 20 10 GHCDHN CN(Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236214113 1041623900 /nfs/dbraw/zinc/62/39/00/1041623900.db2.gz PSQZMGLPRLLRII-OLZOCXBDSA-N 0 3 392.135 3.619 20 10 GHCDHN Cc1ccc(CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C2CC2)o1 ZINC001256231916 1041668061 /nfs/dbraw/zinc/66/80/61/1041668061.db2.gz IHBCLMREDMPTHP-NRFANRHFSA-N 0 3 384.524 3.631 20 10 GHCDHN COc1ccc(CC[N@H+](C)Cc2cc(OC)c(Br)cc2[O-])cc1 ZINC001236753686 1041872633 /nfs/dbraw/zinc/87/26/33/1041872633.db2.gz QSXNIFQFQSVVRT-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1ccc(CC[N@@H+](C)Cc2cc(OC)c(Br)cc2[O-])cc1 ZINC001236753686 1041872639 /nfs/dbraw/zinc/87/26/39/1041872639.db2.gz QSXNIFQFQSVVRT-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN O=C(N[C@@H]1CCCN(Cc2cc(OCc3ccccc3)ccc2O)C1)C1CCC1 ZINC001236782090 1041889532 /nfs/dbraw/zinc/88/95/32/1041889532.db2.gz IOEYBXBJMZXFKG-OAQYLSRUSA-N 0 3 394.515 3.852 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)c([O-])c1 ZINC001236788351 1041893802 /nfs/dbraw/zinc/89/38/02/1041893802.db2.gz JHMPXPHYVVRAJE-QHCPKHFHSA-N 0 3 399.510 3.608 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)c([O-])c1 ZINC001236788351 1041893803 /nfs/dbraw/zinc/89/38/03/1041893803.db2.gz JHMPXPHYVVRAJE-QHCPKHFHSA-N 0 3 399.510 3.608 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236807328 1041908114 /nfs/dbraw/zinc/90/81/14/1041908114.db2.gz FVGYWRQBPXYWEE-QFIPXVFZSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236807328 1041908117 /nfs/dbraw/zinc/90/81/17/1041908117.db2.gz FVGYWRQBPXYWEE-QFIPXVFZSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236810885 1041910495 /nfs/dbraw/zinc/91/04/95/1041910495.db2.gz KQMDMOLBXWZXOA-INIZCTEOSA-N 0 3 378.513 3.788 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236810885 1041910497 /nfs/dbraw/zinc/91/04/97/1041910497.db2.gz KQMDMOLBXWZXOA-INIZCTEOSA-N 0 3 378.513 3.788 20 10 GHCDHN C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236844371 1041925793 /nfs/dbraw/zinc/92/57/93/1041925793.db2.gz ZHBZYRUSANNWJG-OAHLLOKOSA-N 0 3 376.497 3.896 20 10 GHCDHN C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236844371 1041925799 /nfs/dbraw/zinc/92/57/99/1041925799.db2.gz ZHBZYRUSANNWJG-OAHLLOKOSA-N 0 3 376.497 3.896 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC[C@@H](OCc4ccccc4)C3)c(F)c2)CC1 ZINC001236941624 1041966232 /nfs/dbraw/zinc/96/62/32/1041966232.db2.gz DYUNFNXNZKVAES-HSZRJFAPSA-N 0 3 397.538 3.759 20 10 GHCDHN COc1cc([O-])c(CN2CCC(C)([NH+]3CCCC3)CC2)c(Br)c1 ZINC001237068869 1042019343 /nfs/dbraw/zinc/01/93/43/1042019343.db2.gz URRIRXCCPGWBBV-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237137482 1042059670 /nfs/dbraw/zinc/05/96/70/1042059670.db2.gz PQXSYZXOIMYVTF-MRXNPFEDSA-N 0 3 382.426 3.682 20 10 GHCDHN O=C(NC1CCC1)[C@H]1CC12CCN(Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237137482 1042059673 /nfs/dbraw/zinc/05/96/73/1042059673.db2.gz PQXSYZXOIMYVTF-MRXNPFEDSA-N 0 3 382.426 3.682 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4c(C)cccc4[O-])C3)C2)cc1 ZINC001237486095 1042229334 /nfs/dbraw/zinc/22/93/34/1042229334.db2.gz NWHPLHXJYKGGIC-XMMPIXPASA-N 0 3 396.531 3.828 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4c(C)cccc4[O-])C3)C2)cc1 ZINC001237486095 1042229336 /nfs/dbraw/zinc/22/93/36/1042229336.db2.gz NWHPLHXJYKGGIC-XMMPIXPASA-N 0 3 396.531 3.828 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4c(C)cccc4[O-])C3)C2=O)cc1 ZINC001237486775 1042230437 /nfs/dbraw/zinc/23/04/37/1042230437.db2.gz UGEJROLPPRBWPN-XMMPIXPASA-N 0 3 394.515 3.724 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(CCC[N@@H+](Cc4c(C)cccc4[O-])C3)C2=O)cc1 ZINC001237486775 1042230441 /nfs/dbraw/zinc/23/04/41/1042230441.db2.gz UGEJROLPPRBWPN-XMMPIXPASA-N 0 3 394.515 3.724 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001237488396 1042231808 /nfs/dbraw/zinc/23/18/08/1042231808.db2.gz LFFXBBIDNNSIGJ-XZOQPEGZSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001237488396 1042231810 /nfs/dbraw/zinc/23/18/10/1042231810.db2.gz LFFXBBIDNNSIGJ-XZOQPEGZSA-N 0 3 389.536 3.515 20 10 GHCDHN CCOC(=O)[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCS1 ZINC001237649924 1042303284 /nfs/dbraw/zinc/30/32/84/1042303284.db2.gz OMQATVICLIIFAQ-LJQANCHMSA-N 0 3 375.465 3.679 20 10 GHCDHN CCOC(=O)[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCS1 ZINC001237649924 1042303294 /nfs/dbraw/zinc/30/32/94/1042303294.db2.gz OMQATVICLIIFAQ-LJQANCHMSA-N 0 3 375.465 3.679 20 10 GHCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCS1 ZINC001237649924 1042303300 /nfs/dbraw/zinc/30/33/00/1042303300.db2.gz OMQATVICLIIFAQ-LJQANCHMSA-N 0 3 375.465 3.679 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1[O-] ZINC001237679120 1042320536 /nfs/dbraw/zinc/32/05/36/1042320536.db2.gz GMEOJJVCDMOVRB-QFBILLFUSA-N 0 3 388.870 3.584 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1[O-] ZINC001237679120 1042320541 /nfs/dbraw/zinc/32/05/41/1042320541.db2.gz GMEOJJVCDMOVRB-QFBILLFUSA-N 0 3 388.870 3.584 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2cc(Br)c(C)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001237678945 1042320983 /nfs/dbraw/zinc/32/09/83/1042320983.db2.gz DHTYVCHEQUKAHR-HKUYNNGSSA-N 0 3 395.341 3.829 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2cc(Br)c(C)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001237678945 1042320988 /nfs/dbraw/zinc/32/09/88/1042320988.db2.gz DHTYVCHEQUKAHR-HKUYNNGSSA-N 0 3 395.341 3.829 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c1[O-] ZINC001237681118 1042323242 /nfs/dbraw/zinc/32/32/42/1042323242.db2.gz XHSISKKAPHHZQP-INIZCTEOSA-N 0 3 375.900 3.626 20 10 GHCDHN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237936699 1042428020 /nfs/dbraw/zinc/42/80/20/1042428020.db2.gz LUBOPWARHHDUMB-UHFFFAOYSA-N 0 3 379.741 3.966 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c1[O-] ZINC001238059584 1042478158 /nfs/dbraw/zinc/47/81/58/1042478158.db2.gz ANXQPRXYOJXYCV-UHFFFAOYSA-N 0 3 382.479 3.968 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1[O-] ZINC001238059858 1042478774 /nfs/dbraw/zinc/47/87/74/1042478774.db2.gz FDLQCFHSEZGVFZ-QHCPKHFHSA-N 0 3 380.463 3.740 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1[O-] ZINC001238059858 1042478777 /nfs/dbraw/zinc/47/87/77/1042478777.db2.gz FDLQCFHSEZGVFZ-QHCPKHFHSA-N 0 3 380.463 3.740 20 10 GHCDHN Cc1nc(CO[C@@H]2CN(Cc3cc(F)cc(C)c3O)[C@@H]3CCCO[C@H]23)cs1 ZINC001238062674 1042480077 /nfs/dbraw/zinc/48/00/77/1042480077.db2.gz VTFOKIRLWWEITK-GGPKGHCWSA-N 0 3 392.496 3.553 20 10 GHCDHN COc1ccc(N2CCN(C3CCN(c4cccc(F)c4)CC3)CC2)c(OC)c1 ZINC001258427114 1044561855 /nfs/dbraw/zinc/56/18/55/1044561855.db2.gz ISSCDXBLGSSCRY-UHFFFAOYSA-N 0 3 399.510 3.634 20 10 GHCDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C[C@@H]1N(C)C ZINC001295851398 1045167491 /nfs/dbraw/zinc/16/74/91/1045167491.db2.gz GWTSUGXYTMOVSE-LEWJYISDSA-N 0 3 385.577 3.829 20 10 GHCDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C[C@H]1N(C)C ZINC001295851400 1045167517 /nfs/dbraw/zinc/16/75/17/1045167517.db2.gz GWTSUGXYTMOVSE-RTWAWAEBSA-N 0 3 385.577 3.829 20 10 GHCDHN CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665727 1047906214 /nfs/dbraw/zinc/90/62/14/1047906214.db2.gz VAIKGYAFAGSUQX-IBGZPJMESA-N 0 3 386.367 3.549 20 10 GHCDHN CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665727 1047906216 /nfs/dbraw/zinc/90/62/16/1047906216.db2.gz VAIKGYAFAGSUQX-IBGZPJMESA-N 0 3 386.367 3.549 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000725853441 1048232563 /nfs/dbraw/zinc/23/25/63/1048232563.db2.gz QXWKVFNFROPOKD-UHFFFAOYSA-N 0 3 393.487 3.810 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C2(Sc3ccccc3)CC2)N(C)C)cc1 ZINC001289600258 1049556114 /nfs/dbraw/zinc/55/61/14/1049556114.db2.gz OKILVWNDABDPJK-FQEVSTJZSA-N 0 3 383.561 3.796 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CSc2ccc(F)c(F)c2)N(C)C)cc1 ZINC001289600953 1049557196 /nfs/dbraw/zinc/55/71/96/1049557196.db2.gz WSXRVGWPPYWPBH-LJQANCHMSA-N 0 3 393.503 3.542 20 10 GHCDHN CC(C)O[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001289601913 1049557418 /nfs/dbraw/zinc/55/74/18/1049557418.db2.gz GCCRLBLTGHHPGH-VXKWHMMOSA-N 0 3 383.536 3.638 20 10 GHCDHN COc1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1Cn1cccn1 ZINC001308368467 1049960063 /nfs/dbraw/zinc/96/00/63/1049960063.db2.gz XFICKHQBQYFWGC-UHFFFAOYSA-N 0 3 387.487 3.630 20 10 GHCDHN COC(=O)c1c(CNC[C@H](O)c2ccc(Cl)cc2)c2cc(F)ccc2n1C ZINC001308786323 1050093576 /nfs/dbraw/zinc/09/35/76/1050093576.db2.gz DVVSJVNHBXBFJD-SFHVURJKSA-N 0 3 390.842 3.581 20 10 GHCDHN CC[C@H](CNCc1c2cc(F)ccc2n(C)c1C(=O)OC)C(=O)OC(C)(C)C ZINC001308947932 1050209028 /nfs/dbraw/zinc/20/90/28/1050209028.db2.gz SAQZAXRYCNHDCB-CYBMUJFWSA-N 0 3 392.471 3.562 20 10 GHCDHN C[C@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1O ZINC001310217839 1051230697 /nfs/dbraw/zinc/23/06/97/1051230697.db2.gz MQYFDWIWUOERRV-INIZCTEOSA-N 0 3 385.533 3.866 20 10 GHCDHN C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1 ZINC001311987387 1052516152 /nfs/dbraw/zinc/51/61/52/1052516152.db2.gz CEMLOFVAKMYSHH-FQEVSTJZSA-N 0 3 394.563 3.949 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](C3CCCCC3)C2)N(C)C)cc1 ZINC001313410079 1053045339 /nfs/dbraw/zinc/04/53/39/1053045339.db2.gz DLEBHJCHNMIAFA-RBBKRZOGSA-N 0 3 386.584 3.967 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)c2sccc2C)c1[O-] ZINC000848534356 1057155338 /nfs/dbraw/zinc/15/53/38/1057155338.db2.gz QVOZEXYKGZGQDQ-GWCFXTLKSA-N 0 3 386.311 3.917 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCc2cnc3n2CCCC3)c1O ZINC000848549340 1057170735 /nfs/dbraw/zinc/17/07/35/1057170735.db2.gz SUSLLENPHSMYAJ-NSHDSACASA-N 0 3 380.286 3.547 20 10 GHCDHN Cc1nc2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2s1 ZINC001439959206 1058364927 /nfs/dbraw/zinc/36/49/27/1058364927.db2.gz CHFASZYBGKPQSB-LJQANCHMSA-N 0 3 382.533 3.703 20 10 GHCDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC001348524277 1063170492 /nfs/dbraw/zinc/17/04/92/1063170492.db2.gz AJHWMROEVUKMBU-HSZRJFAPSA-N 0 3 379.548 3.856 20 10 GHCDHN CCC(=O)c1ccc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC001458685908 1063920855 /nfs/dbraw/zinc/92/08/55/1063920855.db2.gz YTUBGJNTTGOGJI-HXUWFJFHSA-N 0 3 384.480 3.968 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-c4cn[nH]c4)cc3)c2)CC1 ZINC001466650374 1066234344 /nfs/dbraw/zinc/23/43/44/1066234344.db2.gz RSSAUDGYFOFFJE-UHFFFAOYSA-N 0 3 389.503 3.859 20 10 GHCDHN C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001467860930 1067502918 /nfs/dbraw/zinc/50/29/18/1067502918.db2.gz JLEHUUWQFBRVLV-INIZCTEOSA-N 0 3 385.483 3.905 20 10 GHCDHN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001467860930 1067502929 /nfs/dbraw/zinc/50/29/29/1067502929.db2.gz JLEHUUWQFBRVLV-INIZCTEOSA-N 0 3 385.483 3.905 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCCC(F)(F)C2)N(C)C)cc1 ZINC001478691756 1078957748 /nfs/dbraw/zinc/95/77/48/1078957748.db2.gz WQIHFFIRJXUHOD-LPHOPBHVSA-N 0 3 396.526 3.870 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)cc(Cl)c2N)N(C)C)cc1 ZINC001472281105 1073396886 /nfs/dbraw/zinc/39/68/86/1073396886.db2.gz QFSGPMUAACPMJU-KRWDZBQOSA-N 0 3 395.334 3.674 20 10 GHCDHN CC[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1c1ccccc1 ZINC001473213772 1073865385 /nfs/dbraw/zinc/86/53/85/1073865385.db2.gz PQBYSUPMMLVLQS-REWPJTCUSA-N 0 3 379.548 3.885 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(C)c3ccccc32)N(C)C)cc1 ZINC001479535822 1079224826 /nfs/dbraw/zinc/22/48/26/1079224826.db2.gz ZXJGVYXSKWBIMN-OAQYLSRUSA-N 0 3 380.536 3.863 20 10 GHCDHN Cc1ccc([C@@H](CNCc2cc(F)c(N(C)C)cc2F)N2CCOCC2)cc1 ZINC001473949043 1074215056 /nfs/dbraw/zinc/21/50/56/1074215056.db2.gz JZKDVIIDQMEVPP-JOCHJYFZSA-N 0 3 389.490 3.502 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1F ZINC001474188442 1074287494 /nfs/dbraw/zinc/28/74/94/1074287494.db2.gz NMKLUTSTJNTZFG-IAGOWNOFSA-N 0 3 383.483 3.956 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1[O-] ZINC001474585710 1074472243 /nfs/dbraw/zinc/47/22/43/1074472243.db2.gz BQHJCTJRWBKNNH-HNNXBMFYSA-N 0 3 378.266 3.783 20 10 GHCDHN CN(C)c1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1F ZINC000120373010 835241413 /nfs/dbraw/zinc/24/14/13/835241413.db2.gz IBVXSBKHALLWPX-UHFFFAOYSA-N 0 3 381.495 3.693 20 10 GHCDHN CC[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162029167 835590207 /nfs/dbraw/zinc/59/02/07/835590207.db2.gz LWRZLSVXNWDGBY-QHCPKHFHSA-N 0 3 397.563 3.705 20 10 GHCDHN Cc1ccc(NC(=O)NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c(C)c1 ZINC001167107704 836281671 /nfs/dbraw/zinc/28/16/71/836281671.db2.gz HOYNNPLMVJKARY-UHFFFAOYSA-N 0 3 396.535 3.928 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756502312 840362567 /nfs/dbraw/zinc/36/25/67/840362567.db2.gz GZKYJQSSGCPFFM-AUUYWEPGSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C1=CCN(C)CC1 ZINC000276190312 841351656 /nfs/dbraw/zinc/35/16/56/841351656.db2.gz UTABDCKCNQNTFL-YCHUCXOZSA-N 0 3 391.475 3.807 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1OC(F)F ZINC000891602911 842406374 /nfs/dbraw/zinc/40/63/74/842406374.db2.gz QYDHTCGLFDWMKP-UHFFFAOYSA-N 0 3 383.391 3.651 20 10 GHCDHN COc1ccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569132 843169868 /nfs/dbraw/zinc/16/98/68/843169868.db2.gz YYRIUFMIVZRPRY-MJGOQNOKSA-N 0 3 375.440 3.901 20 10 GHCDHN COc1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569132 843169882 /nfs/dbraw/zinc/16/98/82/843169882.db2.gz YYRIUFMIVZRPRY-MJGOQNOKSA-N 0 3 375.440 3.901 20 10 GHCDHN COc1cc(Br)cc(CNC(C)(C)C(=O)Nc2ccccc2)c1O ZINC000731041716 861425729 /nfs/dbraw/zinc/42/57/29/861425729.db2.gz RMPDPNNGLFQNBU-UHFFFAOYSA-N 0 3 393.281 3.670 20 10 GHCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000732052522 862060843 /nfs/dbraw/zinc/06/08/43/862060843.db2.gz MYYIPOXMHQBFPE-IBGZPJMESA-N 0 3 379.548 3.712 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000732283559 862189832 /nfs/dbraw/zinc/18/98/32/862189832.db2.gz NTDLWAPSYFDGCZ-UHFFFAOYSA-N 0 3 395.547 3.733 20 10 GHCDHN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000732569847 862362061 /nfs/dbraw/zinc/36/20/61/862362061.db2.gz RICKCBUHXKAUDU-HXUWFJFHSA-N 0 3 387.483 3.527 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165174071 854748423 /nfs/dbraw/zinc/74/84/23/854748423.db2.gz CXBLMXIEYRFHOW-HNNXBMFYSA-N 0 3 397.494 3.743 20 10 GHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1cc(F)ccc1[O-] ZINC000760034881 855202486 /nfs/dbraw/zinc/20/24/86/855202486.db2.gz NTPKOKOTHGGMIV-QWHCGFSZSA-N 0 3 382.273 3.796 20 10 GHCDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@@]12CCCO2 ZINC000760881980 856212850 /nfs/dbraw/zinc/21/28/50/856212850.db2.gz UUJUJXFEUXAEGQ-KQLYMOGASA-N 0 3 394.943 3.554 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)C(C)(C)CO4)c2)CC1 ZINC001128206651 857253052 /nfs/dbraw/zinc/25/30/52/857253052.db2.gz IXCLUEDXDTZNSR-UHFFFAOYSA-N 0 3 379.504 3.751 20 10 GHCDHN COc1cc(N2CCN([C@@H](C)Cc3ccsc3)CC2)cc(OC)c1OC ZINC000761220025 859430346 /nfs/dbraw/zinc/43/03/46/859430346.db2.gz SBPZPGXQIXOJQE-HNNXBMFYSA-N 0 3 376.522 3.527 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)s1 ZINC000765981530 859495245 /nfs/dbraw/zinc/49/52/45/859495245.db2.gz WKCMPALIFLDTGO-INIZCTEOSA-N 0 3 398.981 3.877 20 10 GHCDHN C[C@H](NCc1ccc(-n2cncn2)nc1)c1ccc(N2CCCCCC2)cc1 ZINC000764956153 859698246 /nfs/dbraw/zinc/69/82/46/859698246.db2.gz HLEFQLWAKVEQOX-SFHVURJKSA-N 0 3 376.508 3.894 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)c(F)c1 ZINC000765036634 859742806 /nfs/dbraw/zinc/74/28/06/859742806.db2.gz MOBIDFNUYHKSGV-HZPDHXFCSA-N 0 3 397.494 3.959 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000734653802 864372366 /nfs/dbraw/zinc/37/23/66/864372366.db2.gz KJCGILCHVLGOCV-IBGZPJMESA-N 0 3 386.565 3.759 20 10 GHCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@H]1C ZINC000792979231 881836131 /nfs/dbraw/zinc/83/61/31/881836131.db2.gz HAJJDQGUUJJKGL-SAKMYQHLSA-N 0 3 394.943 3.577 20 10 GHCDHN CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(F)ccc3[O-])cc2F)CC1 ZINC000185393829 866053942 /nfs/dbraw/zinc/05/39/42/866053942.db2.gz YIDSTTDBVJXTPQ-HNNXBMFYSA-N 0 3 375.463 3.663 20 10 GHCDHN Cc1ccc2c(CN(Cc3ccccc3O)C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000070976311 866228475 /nfs/dbraw/zinc/22/84/75/866228475.db2.gz SFNADPZHFZFWLJ-LJQANCHMSA-N 0 3 379.456 3.988 20 10 GHCDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000741089964 866234691 /nfs/dbraw/zinc/23/46/91/866234691.db2.gz AAGOSOIMTXADOQ-UHFFFAOYSA-N 0 3 384.568 3.716 20 10 GHCDHN C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCCC1 ZINC000743735073 868398818 /nfs/dbraw/zinc/39/88/18/868398818.db2.gz CPUOJADIWRYKGJ-IRXDYDNUSA-N 0 3 395.494 3.638 20 10 GHCDHN CCOc1cc(CNCc2ccc(N(C)C)cc2)cc(Br)c1O ZINC000743767955 868416853 /nfs/dbraw/zinc/41/68/53/868416853.db2.gz OUORTDKDQXSZHA-UHFFFAOYSA-N 0 3 379.298 3.909 20 10 GHCDHN C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cc(F)ccc1[O-] ZINC000793559651 882267758 /nfs/dbraw/zinc/26/77/58/882267758.db2.gz MHIYOGDRWKLSBO-XMHCIUCPSA-N 0 3 397.450 3.607 20 10 GHCDHN C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cc(F)ccc1[O-] ZINC000793559649 882268092 /nfs/dbraw/zinc/26/80/92/882268092.db2.gz MHIYOGDRWKLSBO-WHEQGISXSA-N 0 3 397.450 3.607 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c([O-])c1 ZINC000793571610 882323265 /nfs/dbraw/zinc/32/32/65/882323265.db2.gz WIODMACVHGXSKZ-WNSKOXEYSA-N 0 3 393.487 3.776 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000745827347 869849310 /nfs/dbraw/zinc/84/93/10/869849310.db2.gz FSLYOVAOSOXONA-FQEVSTJZSA-N 0 3 394.563 3.867 20 10 GHCDHN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000920867612 882426216 /nfs/dbraw/zinc/42/62/16/882426216.db2.gz VUVSMMQENDUQNS-KSZLIROESA-N 0 3 399.510 3.579 20 10 GHCDHN COCCC[N@H+](CCOC)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000921057098 882554014 /nfs/dbraw/zinc/55/40/14/882554014.db2.gz YYLRLQARYXNRQV-UHFFFAOYSA-N 0 3 382.298 3.793 20 10 GHCDHN COCCC[N@@H+](CCOC)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000921057098 882554019 /nfs/dbraw/zinc/55/40/19/882554019.db2.gz YYLRLQARYXNRQV-UHFFFAOYSA-N 0 3 382.298 3.793 20 10 GHCDHN COc1cc(N2CCN(CCCCc3ccccc3)CC2)cc(OC)c1OC ZINC000775671484 872682295 /nfs/dbraw/zinc/68/22/95/872682295.db2.gz WBIBDVXLOPFLOQ-UHFFFAOYSA-N 0 3 384.520 3.857 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(N(C)C)c(F)c3)c2)CC1 ZINC000767932809 872967219 /nfs/dbraw/zinc/96/72/19/872967219.db2.gz CHBISOCKAKKGMF-UHFFFAOYSA-N 0 3 384.499 3.674 20 10 GHCDHN Cc1ccc(CC[N@H+](Cc2ccco2)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768467090 873331921 /nfs/dbraw/zinc/33/19/21/873331921.db2.gz YGJIEYAFQXDEJB-QFIPXVFZSA-N 0 3 379.456 3.964 20 10 GHCDHN Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768467090 873331935 /nfs/dbraw/zinc/33/19/35/873331935.db2.gz YGJIEYAFQXDEJB-QFIPXVFZSA-N 0 3 379.456 3.964 20 10 GHCDHN O=S(=O)(NCC12CCN(CC1)CC2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197187910 873621872 /nfs/dbraw/zinc/62/18/72/873621872.db2.gz ORBNLYVBNLXDOL-GHVJWSGMSA-N 0 3 384.505 3.866 20 10 GHCDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C2)C1 ZINC001197176739 873640452 /nfs/dbraw/zinc/64/04/52/873640452.db2.gz YXQCXEJOSJPSMZ-VSRNGQBXSA-N 0 3 384.505 3.818 20 10 GHCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527989554 873854880 /nfs/dbraw/zinc/85/48/80/873854880.db2.gz CONPEDURHXSBQK-ZBEGNZNMSA-N 0 3 378.831 3.649 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)NCc2ccc(Cl)cc2)CC1 ZINC001197600735 873934101 /nfs/dbraw/zinc/93/41/01/873934101.db2.gz BYQDLVGUGQULEP-UHFFFAOYSA-N 0 3 389.952 3.674 20 10 GHCDHN O[C@@H](C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000770291857 874580277 /nfs/dbraw/zinc/58/02/77/874580277.db2.gz NDTHWUQEJQKLLX-PXNSSMCTSA-N 0 3 390.524 3.812 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(C(F)(F)F)c1 ZINC000858100941 882847026 /nfs/dbraw/zinc/84/70/26/882847026.db2.gz SXBQIUDDWSCITR-UHFFFAOYSA-N 0 3 398.400 3.980 20 10 GHCDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1cc(-c2ccccc2)ccc1O ZINC000770585360 874770096 /nfs/dbraw/zinc/77/00/96/874770096.db2.gz KVZIEJPSRSHQRB-UHFFFAOYSA-N 0 3 375.472 3.832 20 10 GHCDHN COCCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000771374062 875220045 /nfs/dbraw/zinc/22/00/45/875220045.db2.gz HOPDNNWKGQXPEF-JKSUJKDBSA-N 0 3 389.565 3.889 20 10 GHCDHN C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170007 875688494 /nfs/dbraw/zinc/68/84/94/875688494.db2.gz HTERIQLBHHKYIT-AEFFLSMTSA-N 0 3 394.943 3.903 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(C)ccc1OC ZINC000772441649 875961389 /nfs/dbraw/zinc/96/13/89/875961389.db2.gz CGMXIVDEQUPXJF-UGKGYDQZSA-N 0 3 395.547 3.946 20 10 GHCDHN Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])c1 ZINC000786578309 876767407 /nfs/dbraw/zinc/76/74/07/876767407.db2.gz GDERGIFDEKKUIU-QFIPXVFZSA-N 0 3 377.484 3.973 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cccc(OCC(F)(F)F)c3)cc2)CC1 ZINC000850405964 876886793 /nfs/dbraw/zinc/88/67/93/876886793.db2.gz LYQNYECXJZVBMR-UHFFFAOYSA-N 0 3 394.437 3.879 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000850405764 876886876 /nfs/dbraw/zinc/88/68/76/876886876.db2.gz CPHKLQLRCPYZHA-UHFFFAOYSA-N 0 3 380.410 3.836 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850427219 876910416 /nfs/dbraw/zinc/91/04/16/876910416.db2.gz PFDMHEVKGJBECR-MRXNPFEDSA-N 0 3 384.495 3.963 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(N(C)C)cc1 ZINC000786786587 876938692 /nfs/dbraw/zinc/93/86/92/876938692.db2.gz ZAKQBKMNBKWMEB-VFNWGFHPSA-N 0 3 387.474 3.873 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1[O-] ZINC000850560061 877027147 /nfs/dbraw/zinc/02/71/47/877027147.db2.gz BPHUGFFNYQUYOA-ACJLOTCBSA-N 0 3 386.330 3.681 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1[O-] ZINC000858455440 883112200 /nfs/dbraw/zinc/11/22/00/883112200.db2.gz YIZXWSXWGPYKNC-LRDDRELGSA-N 0 3 392.293 3.955 20 10 GHCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@H]1C ZINC000787241592 877259974 /nfs/dbraw/zinc/25/99/74/877259974.db2.gz UHAWCNNVTOLLOJ-SMDDNHRTSA-N 0 3 378.266 3.691 20 10 GHCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@H]1C ZINC000787241592 877259992 /nfs/dbraw/zinc/25/99/92/877259992.db2.gz UHAWCNNVTOLLOJ-SMDDNHRTSA-N 0 3 378.266 3.691 20 10 GHCDHN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000787667167 877540822 /nfs/dbraw/zinc/54/08/22/877540822.db2.gz ATYRNSVTHWFODS-KRWDZBQOSA-N 0 3 399.510 3.559 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H]3CCCc4c(O)cccc43)cc2F)CC1 ZINC000788594958 878192107 /nfs/dbraw/zinc/19/21/07/878192107.db2.gz POGAKHASOMXQEC-NRFANRHFSA-N 0 3 383.511 3.840 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000746978162 880231991 /nfs/dbraw/zinc/23/19/91/880231991.db2.gz LMJAPFNXCLBRNX-FQEVSTJZSA-N 0 3 384.499 3.528 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142520280 884476067 /nfs/dbraw/zinc/47/60/67/884476067.db2.gz FHFNMNULRZBDAX-FYINFDKHSA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142520280 884476075 /nfs/dbraw/zinc/47/60/75/884476075.db2.gz FHFNMNULRZBDAX-FYINFDKHSA-N 0 3 387.474 3.798 20 10 GHCDHN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000806431850 884668914 /nfs/dbraw/zinc/66/89/14/884668914.db2.gz BKUXMBNMFQSLHF-PGRDOPGGSA-N 0 3 380.536 3.777 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762625731 886559467 /nfs/dbraw/zinc/55/94/67/886559467.db2.gz PTUQSQIGQHIARM-JLTOFOAXSA-N 0 3 378.875 3.976 20 10 GHCDHN COC(=O)[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])CC1CCCC1 ZINC001184218812 913079683 /nfs/dbraw/zinc/07/96/83/913079683.db2.gz PMHWAUZTASZLOJ-OAHLLOKOSA-N 0 3 384.314 3.922 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000809704386 887722760 /nfs/dbraw/zinc/72/27/60/887722760.db2.gz BLAYWYODZPITLE-CQSZACIVSA-N 0 3 382.220 3.742 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1[O-] ZINC000809722763 887749649 /nfs/dbraw/zinc/74/96/49/887749649.db2.gz HOPMYGXMVBRVTF-CQSZACIVSA-N 0 3 378.822 3.777 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000809771476 887761178 /nfs/dbraw/zinc/76/11/78/887761178.db2.gz MRELGGDLSNQXSM-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000809771476 887761193 /nfs/dbraw/zinc/76/11/93/887761193.db2.gz MRELGGDLSNQXSM-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN CN(C)CC[N@H+](Cc1cccc(F)c1)Cc1cccc(Br)c1[O-] ZINC000809737581 887769190 /nfs/dbraw/zinc/76/91/90/887769190.db2.gz IKQGTYIAIOZZRB-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CN(C)CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(Br)c1[O-] ZINC000809737581 887769198 /nfs/dbraw/zinc/76/91/98/887769198.db2.gz IKQGTYIAIOZZRB-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])[C@H]2C1 ZINC000809787487 887839843 /nfs/dbraw/zinc/83/98/43/887839843.db2.gz FSQQQQQRUYHJFR-PMVMPFDFSA-N 0 3 394.515 3.708 20 10 GHCDHN Cc1nc2ccccn2c(=O)c1CC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000809961253 888029255 /nfs/dbraw/zinc/02/92/55/888029255.db2.gz PVXHADJCGKJTHQ-UHFFFAOYSA-N 0 3 389.455 3.546 20 10 GHCDHN Cc1nc2ccccn2c(=O)c1CC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000809961253 888029261 /nfs/dbraw/zinc/02/92/61/888029261.db2.gz PVXHADJCGKJTHQ-UHFFFAOYSA-N 0 3 389.455 3.546 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794791923 888073979 /nfs/dbraw/zinc/07/39/79/888073979.db2.gz CMHYIOLGGPWDJX-YADHBBJMSA-N 0 3 384.520 3.823 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCCC4=O)c2)CC1 ZINC000811137385 889223114 /nfs/dbraw/zinc/22/31/14/889223114.db2.gz UQXJQNNXICEFEY-UHFFFAOYSA-N 0 3 391.515 3.990 20 10 GHCDHN Fc1cc(CN2CCC(OCc3ccccc3)CC2)ccc1N1CCOCC1 ZINC000122163830 889458239 /nfs/dbraw/zinc/45/82/39/889458239.db2.gz GGBHWKRIKURABN-UHFFFAOYSA-N 0 3 384.495 3.844 20 10 GHCDHN Cn1nc2c(c1C[NH2+]Cc1ccc(OCc3ccccc3)cc1[O-])CCCC2 ZINC000812773867 890952973 /nfs/dbraw/zinc/95/29/73/890952973.db2.gz WYUDUMVZLJLNDV-UHFFFAOYSA-N 0 3 377.488 3.873 20 10 GHCDHN O=C(CC1(N2CCOCC2)CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000124366448 891449898 /nfs/dbraw/zinc/44/98/98/891449898.db2.gz NMCBHLKRGYGLCQ-UHFFFAOYSA-N 0 3 398.503 3.549 20 10 GHCDHN CCOc1cccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000154327390 891622286 /nfs/dbraw/zinc/62/22/86/891622286.db2.gz NLYZBZLUDHJAKK-WOJBJXKFSA-N 0 3 390.911 3.606 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C3CCC3)cc2)N(C)C)cc1 ZINC001134882580 893504396 /nfs/dbraw/zinc/50/43/96/893504396.db2.gz RCSGHRJFPPUFPA-HSZRJFAPSA-N 0 3 379.548 3.982 20 10 GHCDHN C[C@@H]1CCc2c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)csc2C1 ZINC001134882379 893505384 /nfs/dbraw/zinc/50/53/84/893505384.db2.gz OEAIYNTWONUBNQ-QRWLVFNGSA-N 0 3 385.577 3.972 20 10 GHCDHN CN(C)c1ccc(CNCc2cccc(N3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000815141751 893514474 /nfs/dbraw/zinc/51/44/74/893514474.db2.gz GQQSWFQPEYDBEU-UHFFFAOYSA-N 0 3 393.453 3.898 20 10 GHCDHN CN(C)C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000877504007 893651930 /nfs/dbraw/zinc/65/19/30/893651930.db2.gz DRRJBXVTQGRVIY-QFIPXVFZSA-N 0 3 387.955 3.694 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126894255 894010470 /nfs/dbraw/zinc/01/04/70/894010470.db2.gz DFVOOBJTQQBJQE-QGZVFWFLSA-N 0 3 386.515 3.754 20 10 GHCDHN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000774869283 913843136 /nfs/dbraw/zinc/84/31/36/913843136.db2.gz JWQLQCJLSVKLJQ-AWEZNQCLSA-N 0 3 387.436 3.548 20 10 GHCDHN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000774869283 913843139 /nfs/dbraw/zinc/84/31/39/913843139.db2.gz JWQLQCJLSVKLJQ-AWEZNQCLSA-N 0 3 387.436 3.548 20 10 GHCDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820211225 897210853 /nfs/dbraw/zinc/21/08/53/897210853.db2.gz ZGOXJCGOIHHNRU-INIZCTEOSA-N 0 3 379.464 3.586 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000131253887 897387140 /nfs/dbraw/zinc/38/71/40/897387140.db2.gz HTXPIGVNQDNONX-UHFFFAOYSA-N 0 3 392.293 3.689 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000131253887 897387158 /nfs/dbraw/zinc/38/71/58/897387158.db2.gz HTXPIGVNQDNONX-UHFFFAOYSA-N 0 3 392.293 3.689 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000303060620 914255514 /nfs/dbraw/zinc/25/55/14/914255514.db2.gz LTXHNCKVQRPFSW-HXUWFJFHSA-N 0 3 383.511 3.762 20 10 GHCDHN C[C@@H](NCc1ccccc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119658026 899659235 /nfs/dbraw/zinc/65/92/35/899659235.db2.gz FTZCVANNTOKHLE-QGZVFWFLSA-N 0 3 380.467 3.699 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000824861183 899842399 /nfs/dbraw/zinc/84/23/99/899842399.db2.gz IWBVUOFBHLXMOM-CQSZACIVSA-N 0 3 391.773 3.776 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824961603 899908580 /nfs/dbraw/zinc/90/85/80/899908580.db2.gz DRHORIRJWVEECC-KRWDZBQOSA-N 0 3 376.508 3.954 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824961603 899908590 /nfs/dbraw/zinc/90/85/90/899908590.db2.gz DRHORIRJWVEECC-KRWDZBQOSA-N 0 3 376.508 3.954 20 10 GHCDHN CN1CCN(Cc2cccc(NCc3ccc(Br)cc3O)c2)CC1 ZINC000824977565 899924968 /nfs/dbraw/zinc/92/49/68/899924968.db2.gz YICXDJFQSMDDHZ-UHFFFAOYSA-N 0 3 390.325 3.514 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)cc1C(F)(F)F ZINC001144385674 901972094 /nfs/dbraw/zinc/97/20/94/901972094.db2.gz DPWNHDQZDIZRCN-UHFFFAOYSA-N 0 3 380.410 3.880 20 10 GHCDHN COCCOc1ncccc1CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000779001535 902719223 /nfs/dbraw/zinc/71/92/23/902719223.db2.gz ACKBXIUAXFTKRE-CYBMUJFWSA-N 0 3 395.297 3.734 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000846106572 902719836 /nfs/dbraw/zinc/71/98/36/902719836.db2.gz FJTHQYOSHDVNIM-UHFFFAOYSA-N 0 3 378.513 3.918 20 10 GHCDHN C[C@@H]1CN([C@H](C[NH2+]Cc2cc(F)ccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000779054466 903581830 /nfs/dbraw/zinc/58/18/30/903581830.db2.gz DPSRIKQECOSDBU-FZKQIMNGSA-N 0 3 396.865 3.875 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)NC12CC3CC(CC(C3)C1)C2 ZINC001186701777 914734164 /nfs/dbraw/zinc/73/41/64/914734164.db2.gz RLPUFKOQJIMOTP-UHFFFAOYSA-N 0 3 383.536 3.625 20 10 GHCDHN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779088443 904079121 /nfs/dbraw/zinc/07/91/21/904079121.db2.gz QYWRGWOUIZHMFT-OAQYLSRUSA-N 0 3 378.447 3.549 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000773042989 904394644 /nfs/dbraw/zinc/39/46/44/904394644.db2.gz RZIMAMBVUWJKDQ-AOMKIAJQSA-N 0 3 397.519 3.616 20 10 GHCDHN C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773100967 904436048 /nfs/dbraw/zinc/43/60/48/904436048.db2.gz HHXNUARCVUIHPD-IRXDYDNUSA-N 0 3 386.927 3.501 20 10 GHCDHN CCCCN(CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1O ZINC000801595531 921173256 /nfs/dbraw/zinc/17/32/56/921173256.db2.gz FGXQURUUTMWFHH-UHFFFAOYSA-N 0 3 397.544 3.963 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000801597047 921176101 /nfs/dbraw/zinc/17/61/01/921176101.db2.gz YVJRZNABWSWOFP-LJQANCHMSA-N 0 3 383.448 3.708 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000801597047 921176110 /nfs/dbraw/zinc/17/61/10/921176110.db2.gz YVJRZNABWSWOFP-LJQANCHMSA-N 0 3 383.448 3.708 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000801597047 921176113 /nfs/dbraw/zinc/17/61/13/921176113.db2.gz YVJRZNABWSWOFP-LJQANCHMSA-N 0 3 383.448 3.708 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN([C@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173148357 906234208 /nfs/dbraw/zinc/23/42/08/906234208.db2.gz XDCBTNZAZASIKJ-AWEZNQCLSA-N 0 3 383.439 3.721 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000178266614 906317586 /nfs/dbraw/zinc/31/75/86/906317586.db2.gz XAIFZNNSNFONGZ-CVEARBPZSA-N 0 3 386.467 3.845 20 10 GHCDHN COc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(F)c1 ZINC001177810068 908766166 /nfs/dbraw/zinc/76/61/66/908766166.db2.gz GEJRDPSEZHIYOD-KRWDZBQOSA-N 0 3 378.875 3.948 20 10 GHCDHN CN(C)c1ccc([C@H](CNCc2cccc(O)c2)NC(=O)OC(C)(C)C)cc1 ZINC001178356745 909029642 /nfs/dbraw/zinc/02/96/42/909029642.db2.gz UVYYOIKVJJJEJS-FQEVSTJZSA-N 0 3 385.508 3.814 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC001179016017 909356941 /nfs/dbraw/zinc/35/69/41/909356941.db2.gz VDZSQTZQXZJVJB-MSOLQXFVSA-N 0 3 389.337 3.898 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3cc(OC)c(OC)cc3Cl)C2)cc1 ZINC001179128957 909392911 /nfs/dbraw/zinc/39/29/11/909392911.db2.gz JWSBIXGTASUYKA-HNNXBMFYSA-N 0 3 376.884 3.734 20 10 GHCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C)C1 ZINC001181706965 910923502 /nfs/dbraw/zinc/92/35/02/910923502.db2.gz GCMYTPGMCOLURB-MRXNPFEDSA-N 0 3 380.374 3.965 20 10 GHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC000774507680 911805025 /nfs/dbraw/zinc/80/50/25/911805025.db2.gz LCITZUZTPCMFBI-LBPRGKRZSA-N 0 3 387.423 3.974 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000801964541 921696212 /nfs/dbraw/zinc/69/62/12/921696212.db2.gz TUWMLYHHYFGWND-NRFANRHFSA-N 0 3 381.520 3.978 20 10 GHCDHN CCOc1cccc(CN(CCC(=O)OC)Cc2ccc(F)c(F)c2)c1O ZINC000093280705 912160764 /nfs/dbraw/zinc/16/07/64/912160764.db2.gz GEWXOFZHLRQKGA-UHFFFAOYSA-N 0 3 379.403 3.634 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1[O-] ZINC000775191690 916143197 /nfs/dbraw/zinc/14/31/97/916143197.db2.gz IQVOOMXPJVLICZ-UHFFFAOYSA-N 0 3 375.896 3.871 20 10 GHCDHN CSc1cccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775255450 916654657 /nfs/dbraw/zinc/65/46/57/916654657.db2.gz QRGHTFZPNRPZSM-INIZCTEOSA-N 0 3 385.533 3.534 20 10 GHCDHN CC[C@H]([NH2+]C[C@@]1(COC)CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380651496 919306177 /nfs/dbraw/zinc/30/61/77/919306177.db2.gz ZRHDGUZTIWAQEW-LAUBAEHRSA-N 0 3 378.513 3.849 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000748245594 923528070 /nfs/dbraw/zinc/52/80/70/923528070.db2.gz BIERNIRUECLOGY-MRXNPFEDSA-N 0 3 382.302 3.774 20 10 GHCDHN COC[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000394287196 926413140 /nfs/dbraw/zinc/41/31/40/926413140.db2.gz XHYSHTOZTRDMDT-IERDGZPVSA-N 0 3 378.513 3.767 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)c([O-])c1 ZINC000725850985 926468815 /nfs/dbraw/zinc/46/88/15/926468815.db2.gz KHFWWCGPKATJDU-IBGZPJMESA-N 0 3 375.472 3.895 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000374805217 927541432 /nfs/dbraw/zinc/54/14/32/927541432.db2.gz HNLWDWWLIADUAD-SFHVURJKSA-N 0 3 376.460 3.747 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000374805217 927541438 /nfs/dbraw/zinc/54/14/38/927541438.db2.gz HNLWDWWLIADUAD-SFHVURJKSA-N 0 3 376.460 3.747 20 10 GHCDHN CCOC(=O)N[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753537287 929397077 /nfs/dbraw/zinc/39/70/77/929397077.db2.gz STKPUWRLZIGPRM-LJQANCHMSA-N 0 3 384.476 3.682 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1[O-] ZINC000759162534 930295695 /nfs/dbraw/zinc/29/56/95/930295695.db2.gz YBSIZEDYPQSNNW-HXUWFJFHSA-N 0 3 379.460 3.711 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c1[O-] ZINC000759162534 930295702 /nfs/dbraw/zinc/29/57/02/930295702.db2.gz YBSIZEDYPQSNNW-HXUWFJFHSA-N 0 3 379.460 3.711 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1coc2ccccc21 ZINC000924725454 931516102 /nfs/dbraw/zinc/51/61/02/931516102.db2.gz GMTYUAXCTZDREG-SJLPKXTDSA-N 0 3 377.488 3.985 20 10 GHCDHN COc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000798000990 932486091 /nfs/dbraw/zinc/48/60/91/932486091.db2.gz FABVAHVBBQYXFD-IBGZPJMESA-N 0 3 395.547 3.695 20 10 GHCDHN Cc1cc(CNCc2ccc3c(c2)CCO3)ccc1I ZINC000798498755 932673820 /nfs/dbraw/zinc/67/38/20/932673820.db2.gz ZFCNPDHUKAEYHB-UHFFFAOYSA-N 0 3 379.241 3.824 20 10 GHCDHN Cc1cc(C(=O)CN2CCC[C@H]2[C@H]2CCCOC2)c(C)n1-c1ccc(F)cn1 ZINC000828910546 935739296 /nfs/dbraw/zinc/73/92/96/935739296.db2.gz SDCNOUACCDUDHW-PXNSSMCTSA-N 0 3 385.483 3.702 20 10 GHCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191306 1032331649 /nfs/dbraw/zinc/33/16/49/1032331649.db2.gz JOTIUNOVKZPFRA-AUUYWEPGSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191306 1032331663 /nfs/dbraw/zinc/33/16/63/1032331663.db2.gz JOTIUNOVKZPFRA-AUUYWEPGSA-N 0 3 395.341 3.686 20 10 GHCDHN CCn1ncc2c1[C@@H](COC)CN(Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204236889 1032681753 /nfs/dbraw/zinc/68/17/53/1032681753.db2.gz XSAUTBIGJQWNCL-LJQANCHMSA-N 0 3 378.520 3.868 20 10 GHCDHN O=C(c1ccccc1)N1CCC(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)CC1 ZINC001204275599 1032715930 /nfs/dbraw/zinc/71/59/30/1032715930.db2.gz WWIONAOWGHLREM-UHFFFAOYSA-N 0 3 394.515 3.862 20 10 GHCDHN O=C(NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1)c1ccccc1F ZINC001204329730 1032773956 /nfs/dbraw/zinc/77/39/56/1032773956.db2.gz YIGAFBUPYKCOTP-UHFFFAOYSA-N 0 3 381.495 3.820 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000778114931 1018604452 /nfs/dbraw/zinc/60/44/52/1018604452.db2.gz XIVFIBRQZRIZBL-QGZVFWFLSA-N 0 3 395.286 3.993 20 10 GHCDHN Oc1cnccc1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001140279765 1021307279 /nfs/dbraw/zinc/30/72/79/1021307279.db2.gz URFYEQIEYKMQOD-UHFFFAOYSA-N 0 3 375.472 3.688 20 10 GHCDHN COC(=O)c1ccc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[nH]1 ZINC000800526606 1021314575 /nfs/dbraw/zinc/31/45/75/1021314575.db2.gz ODPRBVZOJNWLRI-AWEZNQCLSA-N 0 3 375.900 3.981 20 10 GHCDHN CCN1CCN(c2ccc(CN(C)Cc3ncccc3C(F)(F)F)cc2)CC1 ZINC001140302678 1021353042 /nfs/dbraw/zinc/35/30/42/1021353042.db2.gz XMPJGUYZCXREFW-UHFFFAOYSA-N 0 3 392.469 3.874 20 10 GHCDHN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725846502 1022387847 /nfs/dbraw/zinc/38/78/47/1022387847.db2.gz JZIFRRYTXOSDSI-UHFFFAOYSA-N 0 3 396.512 3.599 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4[nH]cc(C)c4C)C3)C2)cc1 ZINC001140860000 1022721291 /nfs/dbraw/zinc/72/12/91/1022721291.db2.gz HJUIRCKPFWMRRC-HSZRJFAPSA-N 0 3 383.536 3.759 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(C[C@H](c4cncnc4)CO3)CC2)c(Cl)c1 ZINC001140922210 1022890222 /nfs/dbraw/zinc/89/02/22/1022890222.db2.gz KOIWTLNNNLZMDR-KRWDZBQOSA-N 0 3 386.927 3.735 20 10 GHCDHN Cc1ccc(C[NH+](CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)c([O-])c1 ZINC001140953749 1022988469 /nfs/dbraw/zinc/98/84/69/1022988469.db2.gz GAZKAAMZWRNRCQ-UHFFFAOYSA-N 0 3 393.524 3.966 20 10 GHCDHN CCOCC[N@H+](Cc1ccc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140954696 1022988965 /nfs/dbraw/zinc/98/89/65/1022988965.db2.gz WTLCKZBKMVZFGP-UHFFFAOYSA-N 0 3 392.540 3.939 20 10 GHCDHN CCOCC[N@@H+](Cc1ccc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140954696 1022988975 /nfs/dbraw/zinc/98/89/75/1022988975.db2.gz WTLCKZBKMVZFGP-UHFFFAOYSA-N 0 3 392.540 3.939 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035034 1023327617 /nfs/dbraw/zinc/32/76/17/1023327617.db2.gz ZOFDTMMUCGZGMK-WZONZLPQSA-N 0 3 383.488 3.948 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035034 1023327625 /nfs/dbraw/zinc/32/76/25/1023327625.db2.gz ZOFDTMMUCGZGMK-WZONZLPQSA-N 0 3 383.488 3.948 20 10 GHCDHN CN1CCN(c2ccc(CNc3nc(Cl)ccc3CN3CCCC3)cc2)CC1 ZINC001156658769 1033161652 /nfs/dbraw/zinc/16/16/52/1033161652.db2.gz ZQIMXSQCKKBUCU-UHFFFAOYSA-N 0 3 399.970 3.695 20 10 GHCDHN CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138125693 1024169129 /nfs/dbraw/zinc/16/91/29/1024169129.db2.gz VOSSZOVHYSPMDK-KRWDZBQOSA-N 0 3 390.524 3.848 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)c(Br)c1)C1CC(F)(F)C1 ZINC001138675968 1025200962 /nfs/dbraw/zinc/20/09/62/1025200962.db2.gz STLSVYIMAWEXGQ-UHFFFAOYSA-N 0 3 375.257 3.515 20 10 GHCDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)cc(Br)c1O ZINC001461122088 1069401588 /nfs/dbraw/zinc/40/15/88/1069401588.db2.gz YQVXPKXVPMUGLN-UHFFFAOYSA-N 0 3 383.261 3.658 20 10 GHCDHN COc1cccc(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)CC3)c1O ZINC001203596870 1027461558 /nfs/dbraw/zinc/46/15/58/1027461558.db2.gz QIGQJMQLALTZHH-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1 ZINC001203875710 1027676117 /nfs/dbraw/zinc/67/61/17/1027676117.db2.gz SVKIUUCEQXQGIM-UHFFFAOYSA-N 0 3 376.497 3.711 20 10 GHCDHN COc1cc(CN[C@@H](C)C(=O)NCCc2ccccc2)c(O)c(C(C)(C)C)c1 ZINC001461517465 1069587622 /nfs/dbraw/zinc/58/76/22/1069587622.db2.gz ZCHHBCGJCGYXAT-INIZCTEOSA-N 0 3 384.520 3.535 20 10 GHCDHN Cc1ccccc1-n1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000842673624 1029476103 /nfs/dbraw/zinc/47/61/03/1029476103.db2.gz DXEDVPJZHBHFGM-IBGZPJMESA-N 0 3 376.504 3.868 20 10 GHCDHN CCOCc1cc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)ccc1OC ZINC000842743651 1029552801 /nfs/dbraw/zinc/55/28/01/1029552801.db2.gz IPUFFGGBSQMQMW-MRXNPFEDSA-N 0 3 383.492 3.612 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3nc(C)c(Br)s3)C2)cc1 ZINC001461591368 1069626894 /nfs/dbraw/zinc/62/68/94/1069626894.db2.gz LDURJQRJQMMMRG-CYBMUJFWSA-N 0 3 396.354 3.839 20 10 GHCDHN COc1cc(C)cc(CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC001205766904 1033565186 /nfs/dbraw/zinc/56/51/86/1033565186.db2.gz RLHRHZXCVUZAQN-OAQYLSRUSA-N 0 3 376.497 3.685 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1[O-] ZINC001277439781 1033852510 /nfs/dbraw/zinc/85/25/10/1033852510.db2.gz RNBPAOHUBQIINY-QGZVFWFLSA-N 0 3 390.833 3.731 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1[O-] ZINC001277439781 1033852517 /nfs/dbraw/zinc/85/25/17/1033852517.db2.gz RNBPAOHUBQIINY-QGZVFWFLSA-N 0 3 390.833 3.731 20 10 GHCDHN COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466768 1034612572 /nfs/dbraw/zinc/61/25/72/1034612572.db2.gz FCMKMSBXPDVEGB-ZEQRLZLVSA-N 0 3 397.515 3.989 20 10 GHCDHN COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466768 1034612574 /nfs/dbraw/zinc/61/25/74/1034612574.db2.gz FCMKMSBXPDVEGB-ZEQRLZLVSA-N 0 3 397.515 3.989 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001231469616 1034615595 /nfs/dbraw/zinc/61/55/95/1034615595.db2.gz PBWUZXUAJZRJDZ-FQEVSTJZSA-N 0 3 395.434 3.554 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001231469616 1034615599 /nfs/dbraw/zinc/61/55/99/1034615599.db2.gz PBWUZXUAJZRJDZ-FQEVSTJZSA-N 0 3 395.434 3.554 20 10 GHCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231588321 1034741813 /nfs/dbraw/zinc/74/18/13/1034741813.db2.gz LBGJENBPJNMTSY-YADARESESA-N 0 3 396.531 3.831 20 10 GHCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231588321 1034741829 /nfs/dbraw/zinc/74/18/29/1034741829.db2.gz LBGJENBPJNMTSY-YADARESESA-N 0 3 396.531 3.831 20 10 GHCDHN CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)C1 ZINC001231866632 1034953141 /nfs/dbraw/zinc/95/31/41/1034953141.db2.gz BDKIRNVCBDFBOI-INIZCTEOSA-N 0 3 394.943 3.594 20 10 GHCDHN CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)C1 ZINC001231866632 1034953143 /nfs/dbraw/zinc/95/31/43/1034953143.db2.gz BDKIRNVCBDFBOI-INIZCTEOSA-N 0 3 394.943 3.594 20 10 GHCDHN Cc1[nH]c2ncnc(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3[O-])c2c1C ZINC001160619331 1035017816 /nfs/dbraw/zinc/01/78/16/1035017816.db2.gz TXWOGYFXWPEQNK-WOJBJXKFSA-N 0 3 389.459 3.839 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@H](C)CC2)c1O ZINC001248391236 1035800708 /nfs/dbraw/zinc/80/07/08/1035800708.db2.gz OTHJUELYSIXEQG-NSHDSACASA-N 0 3 375.250 3.627 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@H](c3nc(C(C)C)no3)C2)c2ccccc2n1C ZINC001232406827 1038188907 /nfs/dbraw/zinc/18/89/07/1038188907.db2.gz YPYQISWGZBHHOC-HNNXBMFYSA-N 0 3 396.491 3.851 20 10 GHCDHN O=c1[nH]ccc2c1CC[N@@H+](Cc1c([O-])ccc3cc(Br)ccc31)C2 ZINC001233195467 1038961248 /nfs/dbraw/zinc/96/12/48/1038961248.db2.gz JTRLJEOGCAPKHQ-UHFFFAOYSA-N 0 3 385.261 3.967 20 10 GHCDHN O=c1[nH]ccc2c1CC[N@H+](Cc1c([O-])ccc3cc(Br)ccc31)C2 ZINC001233195467 1038961256 /nfs/dbraw/zinc/96/12/56/1038961256.db2.gz JTRLJEOGCAPKHQ-UHFFFAOYSA-N 0 3 385.261 3.967 20 10 GHCDHN CCOc1cccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3[O-])CC2)n1 ZINC001233418973 1039279169 /nfs/dbraw/zinc/27/91/69/1039279169.db2.gz DPDBESANDAYVCM-UHFFFAOYSA-N 0 3 381.398 3.527 20 10 GHCDHN C[C@](O)(CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC001253107144 1039428449 /nfs/dbraw/zinc/42/84/49/1039428449.db2.gz LSIPPCBBELFZML-IBGZPJMESA-N 0 3 380.410 3.615 20 10 GHCDHN Oc1c(CN2CCN3CCc4ccccc4[C@H]3C2)cccc1OC(F)(F)F ZINC001233768323 1039601584 /nfs/dbraw/zinc/60/15/84/1039601584.db2.gz PCUDFFMIQZHOFF-QGZVFWFLSA-N 0 3 378.394 3.706 20 10 GHCDHN CC(C)(C)CC(=O)NC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233775961 1039607203 /nfs/dbraw/zinc/60/72/03/1039607203.db2.gz HUXALDRZPNHBNM-UHFFFAOYSA-N 0 3 388.430 3.808 20 10 GHCDHN CC(C)N1CC2(CC1=O)CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233776667 1039607720 /nfs/dbraw/zinc/60/77/20/1039607720.db2.gz WNWKBOKXRZZQPZ-UHFFFAOYSA-N 0 3 386.414 3.514 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)c2c1 ZINC001234526255 1040101435 /nfs/dbraw/zinc/10/14/35/1040101435.db2.gz RRORZVOVQMUVIG-NYHFZMIOSA-N 0 3 384.476 3.653 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)c2c1 ZINC001234526255 1040101439 /nfs/dbraw/zinc/10/14/39/1040101439.db2.gz RRORZVOVQMUVIG-NYHFZMIOSA-N 0 3 384.476 3.653 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@@H]4CN(Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536981 1040110083 /nfs/dbraw/zinc/11/00/83/1040110083.db2.gz VDISVUGQLAKLCO-PMACEKPBSA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545955 1040117206 /nfs/dbraw/zinc/11/72/06/1040117206.db2.gz VNZDBDVVPBERLW-AUSIDOKSSA-N 0 3 383.488 3.714 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545955 1040117252 /nfs/dbraw/zinc/11/72/52/1040117252.db2.gz VNZDBDVVPBERLW-AUSIDOKSSA-N 0 3 383.488 3.714 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4[C@@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546017 1040117485 /nfs/dbraw/zinc/11/74/85/1040117485.db2.gz WTRUQDOGBRLTSR-LAUBAEHRSA-N 0 3 382.504 3.633 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4[C@@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546017 1040117495 /nfs/dbraw/zinc/11/74/95/1040117495.db2.gz WTRUQDOGBRLTSR-LAUBAEHRSA-N 0 3 382.504 3.633 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC3)OC(=O)c3ncccc34)c2c1 ZINC001234562224 1040129936 /nfs/dbraw/zinc/12/99/36/1040129936.db2.gz KXUULHBFHTZVMU-UHFFFAOYSA-N 0 3 390.439 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](Oc4nccc(C)n4)C3)c2c1 ZINC001234569360 1040136631 /nfs/dbraw/zinc/13/66/31/1040136631.db2.gz LSKBTYZZARNFQS-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](Oc4nccc(C)n4)C3)c2c1 ZINC001234569360 1040136641 /nfs/dbraw/zinc/13/66/41/1040136641.db2.gz LSKBTYZZARNFQS-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](Oc4nccc(C)n4)C3)c2c1 ZINC001234569362 1040137364 /nfs/dbraw/zinc/13/73/64/1040137364.db2.gz LSKBTYZZARNFQS-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](Oc4nccc(C)n4)C3)c2c1 ZINC001234569362 1040137369 /nfs/dbraw/zinc/13/73/69/1040137369.db2.gz LSKBTYZZARNFQS-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c1[O-] ZINC001462468162 1070276408 /nfs/dbraw/zinc/27/64/08/1070276408.db2.gz CZZOGTUVFMLLRX-SFHVURJKSA-N 0 3 382.273 3.686 20 10 GHCDHN [O-]c1c(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)cccc1-c1ccccc1 ZINC001234999710 1040493928 /nfs/dbraw/zinc/49/39/28/1040493928.db2.gz XZWZTXOKZLZZDU-UHFFFAOYSA-N 0 3 380.879 3.825 20 10 GHCDHN COc1ccc([C@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001255140499 1040848970 /nfs/dbraw/zinc/84/89/70/1040848970.db2.gz NTEUFTVABWHEAR-LAUBAEHRSA-N 0 3 398.551 3.733 20 10 GHCDHN CCOc1ccc(CN2CCN[C@@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797964 1041299324 /nfs/dbraw/zinc/29/93/24/1041299324.db2.gz WLCUAPYISBDLBK-GOSISDBHSA-N 0 3 391.309 3.700 20 10 GHCDHN Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001256236675 1041670511 /nfs/dbraw/zinc/67/05/11/1041670511.db2.gz JYLBLFYMODHVOG-AUSIDOKSSA-N 0 3 396.579 3.936 20 10 GHCDHN COc1ccccc1CC[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236754707 1041874653 /nfs/dbraw/zinc/87/46/53/1041874653.db2.gz VXRFKANLGOGRMD-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1ccccc1CC[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236754707 1041874656 /nfs/dbraw/zinc/87/46/56/1041874656.db2.gz VXRFKANLGOGRMD-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN Cc1ccnc(O[C@H]2CCN(Cc3cc(OCc4ccccc4)ccc3O)C2)n1 ZINC001236781453 1041887983 /nfs/dbraw/zinc/88/79/83/1041887983.db2.gz DAKLFNHBYDUSHA-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1nccnc1O[C@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236781232 1041888343 /nfs/dbraw/zinc/88/83/43/1041888343.db2.gz AISBBFHMYBTXAK-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)c([O-])c1 ZINC001236787079 1041893339 /nfs/dbraw/zinc/89/33/39/1041893339.db2.gz IYLWIHURUMFFHR-OAQYLSRUSA-N 0 3 378.516 3.793 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001236791203 1041896567 /nfs/dbraw/zinc/89/65/67/1041896567.db2.gz YJGHPARMFRGSDC-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001236791203 1041896571 /nfs/dbraw/zinc/89/65/71/1041896571.db2.gz YJGHPARMFRGSDC-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001236791203 1041896574 /nfs/dbraw/zinc/89/65/74/1041896574.db2.gz YJGHPARMFRGSDC-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001236791203 1041896577 /nfs/dbraw/zinc/89/65/77/1041896577.db2.gz YJGHPARMFRGSDC-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c([O-])c1 ZINC001236807440 1041908154 /nfs/dbraw/zinc/90/81/54/1041908154.db2.gz DDWIRIXBQYWGHG-UHFFFAOYSA-N 0 3 393.462 3.906 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c([O-])c1 ZINC001236807440 1041908156 /nfs/dbraw/zinc/90/81/56/1041908156.db2.gz DDWIRIXBQYWGHG-UHFFFAOYSA-N 0 3 393.462 3.906 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001236806803 1041908166 /nfs/dbraw/zinc/90/81/66/1041908166.db2.gz BKLATNWHVYISFW-HOTGVXAUSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001236806803 1041908168 /nfs/dbraw/zinc/90/81/68/1041908168.db2.gz BKLATNWHVYISFW-HOTGVXAUSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236809509 1041910242 /nfs/dbraw/zinc/91/02/42/1041910242.db2.gz WYZKSBPJIQAKLI-UHFFFAOYSA-N 0 3 376.497 3.685 20 10 GHCDHN CCC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236812650 1041911933 /nfs/dbraw/zinc/91/19/33/1041911933.db2.gz CROUSGULQNBUSK-MRXNPFEDSA-N 0 3 378.513 3.931 20 10 GHCDHN CCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236812650 1041911934 /nfs/dbraw/zinc/91/19/34/1041911934.db2.gz CROUSGULQNBUSK-MRXNPFEDSA-N 0 3 378.513 3.931 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001236829164 1041920088 /nfs/dbraw/zinc/92/00/88/1041920088.db2.gz FJEUMWBOYIJVFA-QPTUXGOLSA-N 0 3 390.483 3.889 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc3ccccc3cc2[O-])n1 ZINC001236831120 1041920796 /nfs/dbraw/zinc/92/07/96/1041920796.db2.gz SMPRNAGUPOBFAZ-FCHUYYIVSA-N 0 3 387.483 3.624 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2cc3ccccc3cc2[O-])n1 ZINC001236831120 1041920798 /nfs/dbraw/zinc/92/07/98/1041920798.db2.gz SMPRNAGUPOBFAZ-FCHUYYIVSA-N 0 3 387.483 3.624 20 10 GHCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C[C@H]1CC1(C)C ZINC001236853466 1041929113 /nfs/dbraw/zinc/92/91/13/1041929113.db2.gz ZUWPGSWUJOXTJX-QGZVFWFLSA-N 0 3 390.524 4.000 20 10 GHCDHN C[N@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C[C@H]1CC1(C)C ZINC001236853466 1041929115 /nfs/dbraw/zinc/92/91/15/1041929115.db2.gz ZUWPGSWUJOXTJX-QGZVFWFLSA-N 0 3 390.524 4.000 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC[C@H](OCc4ccccc4)C3)c(F)c2)CC1 ZINC001236941626 1041966033 /nfs/dbraw/zinc/96/60/33/1041966033.db2.gz DYUNFNXNZKVAES-QHCPKHFHSA-N 0 3 397.538 3.759 20 10 GHCDHN Cc1cccc(OC2CCN(Cc3ccc(N4CCN(C)CC4)cc3F)CC2)c1 ZINC001236943982 1041966120 /nfs/dbraw/zinc/96/61/20/1041966120.db2.gz YCCUVAUWPPDQAA-UHFFFAOYSA-N 0 3 397.538 3.929 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c([O-])c1 ZINC001237042748 1042003097 /nfs/dbraw/zinc/00/30/97/1042003097.db2.gz KWEPDSWKXFCRDM-UHFFFAOYSA-N 0 3 381.501 3.910 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c([O-])c1 ZINC001237042748 1042003103 /nfs/dbraw/zinc/00/31/03/1042003103.db2.gz KWEPDSWKXFCRDM-UHFFFAOYSA-N 0 3 381.501 3.910 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001237042296 1042003394 /nfs/dbraw/zinc/00/33/94/1042003394.db2.gz ZMFMVCKCCKFSAE-OAQYLSRUSA-N 0 3 386.517 3.872 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001237042296 1042003402 /nfs/dbraw/zinc/00/34/02/1042003402.db2.gz ZMFMVCKCCKFSAE-OAQYLSRUSA-N 0 3 386.517 3.872 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044018 1042004212 /nfs/dbraw/zinc/00/42/12/1042004212.db2.gz VYGVGYCKQDMYQJ-GMAHTHKFSA-N 0 3 398.503 3.636 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044018 1042004218 /nfs/dbraw/zinc/00/42/18/1042004218.db2.gz VYGVGYCKQDMYQJ-GMAHTHKFSA-N 0 3 398.503 3.636 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237046945 1042005933 /nfs/dbraw/zinc/00/59/33/1042005933.db2.gz IKSGAALPCQWVPY-HNNXBMFYSA-N 0 3 397.397 3.643 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237046945 1042005941 /nfs/dbraw/zinc/00/59/41/1042005941.db2.gz IKSGAALPCQWVPY-HNNXBMFYSA-N 0 3 397.397 3.643 20 10 GHCDHN CCOc1ccc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001237046945 1042005948 /nfs/dbraw/zinc/00/59/48/1042005948.db2.gz IKSGAALPCQWVPY-HNNXBMFYSA-N 0 3 397.397 3.643 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)c([O-])c1 ZINC001237048928 1042007511 /nfs/dbraw/zinc/00/75/11/1042007511.db2.gz POKJGCYKYBAOJV-CEMLEFRQSA-N 0 3 398.503 3.547 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)c([O-])c1 ZINC001237048928 1042007524 /nfs/dbraw/zinc/00/75/24/1042007524.db2.gz POKJGCYKYBAOJV-CEMLEFRQSA-N 0 3 398.503 3.547 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001237061090 1042015222 /nfs/dbraw/zinc/01/52/22/1042015222.db2.gz FQMHDKUYMGEMAL-KRWDZBQOSA-N 0 3 382.382 3.772 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001237061090 1042015226 /nfs/dbraw/zinc/01/52/26/1042015226.db2.gz FQMHDKUYMGEMAL-KRWDZBQOSA-N 0 3 382.382 3.772 20 10 GHCDHN CCCC[NH+]1CCC(N(C)Cc2c([O-])cc(OC)cc2Br)CC1 ZINC001237068527 1042019418 /nfs/dbraw/zinc/01/94/18/1042019418.db2.gz RSMDTLZAVXFVPI-UHFFFAOYSA-N 0 3 385.346 3.860 20 10 GHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCN(Cc2cccnc2)CC1 ZINC001237640966 1042300094 /nfs/dbraw/zinc/30/00/94/1042300094.db2.gz IWICBLBYKWBOQF-UHFFFAOYSA-N 0 3 377.463 3.911 20 10 GHCDHN COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237648742 1042303204 /nfs/dbraw/zinc/30/32/04/1042303204.db2.gz GBMIDWPZRZZOMK-LJQANCHMSA-N 0 3 395.434 3.650 20 10 GHCDHN COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237648742 1042303215 /nfs/dbraw/zinc/30/32/15/1042303215.db2.gz GBMIDWPZRZZOMK-LJQANCHMSA-N 0 3 395.434 3.650 20 10 GHCDHN Cc1ccnc(N2CCN(Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)n1 ZINC001237650983 1042304445 /nfs/dbraw/zinc/30/44/45/1042304445.db2.gz XOUZKJNESZWFIT-UHFFFAOYSA-N 0 3 378.451 3.619 20 10 GHCDHN Cc1cc(O)c(CN2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1Br ZINC001237678000 1042319759 /nfs/dbraw/zinc/31/97/59/1042319759.db2.gz GQRZBBGDMIGPDA-QFBILLFUSA-N 0 3 396.325 3.623 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)cc1Br ZINC001237677920 1042319913 /nfs/dbraw/zinc/31/99/13/1042319913.db2.gz DYUSLGDZPTYERO-IBGZPJMESA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)cc1Br ZINC001237677920 1042319919 /nfs/dbraw/zinc/31/99/19/1042319919.db2.gz DYUSLGDZPTYERO-IBGZPJMESA-N 0 3 395.341 3.686 20 10 GHCDHN CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)n1 ZINC001237682924 1042323925 /nfs/dbraw/zinc/32/39/25/1042323925.db2.gz UWOGBMXPIFLHHZ-GFCCVEGCSA-N 0 3 380.286 3.788 20 10 GHCDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)n1 ZINC001237682924 1042323932 /nfs/dbraw/zinc/32/39/32/1042323932.db2.gz UWOGBMXPIFLHHZ-GFCCVEGCSA-N 0 3 380.286 3.788 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)c1[O-] ZINC001237683159 1042324117 /nfs/dbraw/zinc/32/41/17/1042324117.db2.gz DKDGHSRJZVBVSC-IBGZPJMESA-N 0 3 384.907 3.992 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1[O-] ZINC001237683365 1042324143 /nfs/dbraw/zinc/32/41/43/1042324143.db2.gz GBQNKWJRDSFACP-JOCHJYFZSA-N 0 3 399.922 3.764 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1[O-] ZINC001237683365 1042324149 /nfs/dbraw/zinc/32/41/49/1042324149.db2.gz GBQNKWJRDSFACP-JOCHJYFZSA-N 0 3 399.922 3.764 20 10 GHCDHN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC001292330585 1043688362 /nfs/dbraw/zinc/68/83/62/1043688362.db2.gz OEUZYPMAZZTFOJ-UHFFFAOYSA-N 0 3 397.504 3.693 20 10 GHCDHN CCOC(=O)CCC[C@H](C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001258134212 1044419622 /nfs/dbraw/zinc/41/96/22/1044419622.db2.gz ZGCJBPGZCZLTNX-HNNXBMFYSA-N 0 3 388.430 3.829 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)c2cccc(Cl)c2)N(C)C)cc1 ZINC001463286414 1070964091 /nfs/dbraw/zinc/96/40/91/1070964091.db2.gz VQFBWUOJYSBJFE-GOSISDBHSA-N 0 3 395.881 3.917 20 10 GHCDHN Cc1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3)[C@H](C)C2)cc1C ZINC001307511152 1049353228 /nfs/dbraw/zinc/35/32/28/1049353228.db2.gz LPFJXQFFENFLMT-OAQYLSRUSA-N 0 3 379.548 3.851 20 10 GHCDHN COc1ccc(F)cc1[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308205734 1049912427 /nfs/dbraw/zinc/91/24/27/1049912427.db2.gz DVKBKMQRLKWAIX-OAHLLOKOSA-N 0 3 375.463 3.576 20 10 GHCDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC001308631421 1050041237 /nfs/dbraw/zinc/04/12/37/1050041237.db2.gz MRANIYROUGEZGZ-FCEWJHQRSA-N 0 3 399.501 3.845 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC001308901870 1050150245 /nfs/dbraw/zinc/15/02/45/1050150245.db2.gz JADVIVROTSIZSZ-JNSHFYNHSA-N 0 3 399.329 3.856 20 10 GHCDHN Cc1cc(O)c(CNc2ccc(C(=O)NCCN3CCCC3)cc2)cc1Cl ZINC001327841625 1050296492 /nfs/dbraw/zinc/29/64/92/1050296492.db2.gz OYOFWRSQSMMSDM-UHFFFAOYSA-N 0 3 387.911 3.792 20 10 GHCDHN CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001312574277 1052796537 /nfs/dbraw/zinc/79/65/37/1052796537.db2.gz MDNRHRLKZMSTAY-FQEVSTJZSA-N 0 3 385.483 3.631 20 10 GHCDHN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001312574277 1052796543 /nfs/dbraw/zinc/79/65/43/1052796543.db2.gz MDNRHRLKZMSTAY-FQEVSTJZSA-N 0 3 385.483 3.631 20 10 GHCDHN Cc1cncc([C@@H]2CCCN2C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001313419870 1053049134 /nfs/dbraw/zinc/04/91/34/1053049134.db2.gz VAOVGJHIPZWVMF-FCHUYYIVSA-N 0 3 395.551 3.605 20 10 GHCDHN CC(C)c1noc(CCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC001319897096 1055529475 /nfs/dbraw/zinc/52/94/75/1055529475.db2.gz VUHXRCLVDFUTNV-CQSZACIVSA-N 0 3 378.904 3.576 20 10 GHCDHN CC(C)N1C[C@@H](NCc2ccc(N3CCCCC3)c(Br)c2)CC1=O ZINC001200655384 1056607408 /nfs/dbraw/zinc/60/74/08/1056607408.db2.gz VXASSPXNQYKUMK-INIZCTEOSA-N 0 3 394.357 3.538 20 10 GHCDHN CCOc1ccc(N2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)cc1 ZINC001323150803 1056930115 /nfs/dbraw/zinc/93/01/15/1056930115.db2.gz LDKQVQRYPNFDAW-UHFFFAOYSA-N 0 3 382.508 3.501 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CCCOc4ccc(F)cc43)cc2F)CC1 ZINC001323470628 1056974539 /nfs/dbraw/zinc/97/45/39/1056974539.db2.gz GARULKDZTVTAHO-HXUWFJFHSA-N 0 3 387.474 3.720 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000848517743 1057144817 /nfs/dbraw/zinc/14/48/17/1057144817.db2.gz FVEYBLBYRHAUGY-MEBBXXQBSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000848528091 1057150921 /nfs/dbraw/zinc/15/09/21/1057150921.db2.gz KFMKIPFPUHMBGQ-QFYYESIMSA-N 0 3 386.311 3.783 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1[O-] ZINC000848529960 1057152112 /nfs/dbraw/zinc/15/21/12/1057152112.db2.gz AFKXXKIHBFHPDQ-LBPRGKRZSA-N 0 3 393.281 3.843 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@H](CO)c2cccc(F)c2)c1O ZINC000848534096 1057155494 /nfs/dbraw/zinc/15/54/94/1057155494.db2.gz MQJBHJPMFLDXRZ-ZUZCIYMTSA-N 0 3 384.245 3.687 20 10 GHCDHN Cc1ccccc1C(F)(F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439961668 1058368303 /nfs/dbraw/zinc/36/83/03/1058368303.db2.gz RWOCYVPPXLDYJS-IBGZPJMESA-N 0 3 375.463 3.572 20 10 GHCDHN CCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2ccccc21 ZINC001456937299 1062924836 /nfs/dbraw/zinc/92/48/36/1062924836.db2.gz WBCJYABTSZSVMG-JOCHJYFZSA-N 0 3 378.520 3.760 20 10 GHCDHN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)s1 ZINC001350593564 1064133944 /nfs/dbraw/zinc/13/39/44/1064133944.db2.gz KTENFCORRUXQSF-QGZVFWFLSA-N 0 3 385.533 3.910 20 10 GHCDHN COc1cc(N2CCN(CC/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC001459919817 1064273012 /nfs/dbraw/zinc/27/30/12/1064273012.db2.gz OUTSXVYXHQWVEB-YRNVUSSQSA-N 0 3 382.504 3.938 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001468743547 1067857239 /nfs/dbraw/zinc/85/72/39/1067857239.db2.gz HYVUETQALLLUAF-AVRDEDQJSA-N 0 3 380.536 3.523 20 10 GHCDHN CC[C@@H](CNc1ccccc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471548228 1073127295 /nfs/dbraw/zinc/12/72/95/1073127295.db2.gz SAAVAYCDDLOZOD-SIKLNZKXSA-N 0 3 397.567 3.545 20 10 GHCDHN CC[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1c1ccccc1 ZINC001473213770 1073864184 /nfs/dbraw/zinc/86/41/84/1073864184.db2.gz PQBYSUPMMLVLQS-NZQKXSOJSA-N 0 3 379.548 3.885 20 10 GHCDHN C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC001473722971 1074108178 /nfs/dbraw/zinc/10/81/78/1074108178.db2.gz ULNDXSGVCCLCKM-CHWSQXEVSA-N 0 3 382.382 3.819 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cc4cc(F)ccc4o3)cc2)C1 ZINC001473950887 1074215651 /nfs/dbraw/zinc/21/56/51/1074215651.db2.gz YBHOZORSOFQWMG-MRXNPFEDSA-N 0 3 381.451 3.563 20 10 GHCDHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC001473970681 1074222038 /nfs/dbraw/zinc/22/20/38/1074222038.db2.gz XYDUOYCTQOMRGA-HUUCEWRRSA-N 0 3 396.373 3.832 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1[O-] ZINC001474700793 1074523998 /nfs/dbraw/zinc/52/39/98/1074523998.db2.gz YVQQKQODYALMKY-CQSZACIVSA-N 0 3 385.302 3.562 20 10 GHCDHN Cc1cc(C)c(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000178130727 836368607 /nfs/dbraw/zinc/36/86/07/836368607.db2.gz YZRUZIVFJITARR-IBGZPJMESA-N 0 3 381.520 3.738 20 10 GHCDHN COc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)c(O)c1OC ZINC000892634037 837366512 /nfs/dbraw/zinc/36/65/12/837366512.db2.gz MIUWKWRCIWKCBT-UHFFFAOYSA-N 0 3 384.476 3.828 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000182355788 839045353 /nfs/dbraw/zinc/04/53/53/839045353.db2.gz MIPYCQZOWNSAFQ-LLVKDONJSA-N 0 3 389.502 3.875 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccsc2Br)N(C)C)cc1 ZINC000891246203 839306650 /nfs/dbraw/zinc/30/66/50/839306650.db2.gz ABOOVFNMPJKADH-HNNXBMFYSA-N 0 3 396.354 3.609 20 10 GHCDHN COc1cc(N2CCN(CCCc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000759885847 840339195 /nfs/dbraw/zinc/33/91/95/840339195.db2.gz IGEHWOMSRRQGNQ-UHFFFAOYSA-N 0 3 384.520 3.776 20 10 GHCDHN [O-]c1cc2c(cc1C[NH2+]CC1(c3ccccc3Cl)CCOCC1)OCO2 ZINC000106251499 842034370 /nfs/dbraw/zinc/03/43/70/842034370.db2.gz AOVKEMHLVGHYPG-UHFFFAOYSA-N 0 3 375.852 3.612 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178253712 842633325 /nfs/dbraw/zinc/63/33/25/842633325.db2.gz MCOGVFZPSHFXTA-UTKZUKDTSA-N 0 3 397.494 3.509 20 10 GHCDHN COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c1 ZINC000731846453 861904107 /nfs/dbraw/zinc/90/41/07/861904107.db2.gz ZRDSLLSHQAIFAG-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1ccc(OC)c(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731846453 861904120 /nfs/dbraw/zinc/90/41/20/861904120.db2.gz ZRDSLLSHQAIFAG-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1ccc(OC)c(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731846453 861904127 /nfs/dbraw/zinc/90/41/27/861904127.db2.gz ZRDSLLSHQAIFAG-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000732133698 862085432 /nfs/dbraw/zinc/08/54/32/862085432.db2.gz GGIDSSNNMLTGBP-SFHVURJKSA-N 0 3 376.504 3.739 20 10 GHCDHN CCOc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204887 862144887 /nfs/dbraw/zinc/14/48/87/862144887.db2.gz VRQJTZLKIMPQQH-FQEVSTJZSA-N 0 3 385.504 3.975 20 10 GHCDHN CCOc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204887 862144892 /nfs/dbraw/zinc/14/48/92/862144892.db2.gz VRQJTZLKIMPQQH-FQEVSTJZSA-N 0 3 385.504 3.975 20 10 GHCDHN CCOCc1ccccc1CNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204074 862146210 /nfs/dbraw/zinc/14/62/10/862146210.db2.gz BIYYDBNXSFJPQI-UHFFFAOYSA-N 0 3 396.531 3.990 20 10 GHCDHN CCOCc1ccccc1CNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204074 862146217 /nfs/dbraw/zinc/14/62/17/862146217.db2.gz BIYYDBNXSFJPQI-UHFFFAOYSA-N 0 3 396.531 3.990 20 10 GHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000760031575 854176293 /nfs/dbraw/zinc/17/62/93/854176293.db2.gz DLKFDVPEWCZVRT-GXTWGEPZSA-N 0 3 382.273 3.796 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1ccccc1[O-] ZINC000156922640 854494148 /nfs/dbraw/zinc/49/41/48/854494148.db2.gz YNHSMFXYEQSCRI-HXUWFJFHSA-N 0 3 388.533 3.559 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000157072616 854951243 /nfs/dbraw/zinc/95/12/43/854951243.db2.gz CMHRVYAHQFMPGR-CQSZACIVSA-N 0 3 387.436 3.548 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000765817020 855071740 /nfs/dbraw/zinc/07/17/40/855071740.db2.gz ZWMXQNQCXZCCSC-JTSKRJEESA-N 0 3 388.515 3.739 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c([O-])c1 ZINC000760042114 855824575 /nfs/dbraw/zinc/82/45/75/855824575.db2.gz SPSNJWGKHQDUOW-ZBFHGGJFSA-N 0 3 378.310 3.965 20 10 GHCDHN COc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc(OC)c1 ZINC000733334471 862876252 /nfs/dbraw/zinc/87/62/52/862876252.db2.gz KSCRFAQYIDGTLY-SFHVURJKSA-N 0 3 390.911 3.817 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccccc3)N(C)C)ccc21 ZINC000482376953 863010548 /nfs/dbraw/zinc/01/05/48/863010548.db2.gz ABUQELBLQYTNJH-QHCPKHFHSA-N 0 3 393.531 3.937 20 10 GHCDHN CC(C)(C)OC(=O)NC(C)(C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000761183857 858921502 /nfs/dbraw/zinc/92/15/02/858921502.db2.gz CZABMTFUAOHZPG-KRWDZBQOSA-N 0 3 378.513 3.677 20 10 GHCDHN CC(C)(C)OC(=O)NC(C)(C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000761183857 858921517 /nfs/dbraw/zinc/92/15/17/858921517.db2.gz CZABMTFUAOHZPG-KRWDZBQOSA-N 0 3 378.513 3.677 20 10 GHCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)c(Cl)c1 ZINC000765977314 859003621 /nfs/dbraw/zinc/00/36/21/859003621.db2.gz DUAQNIXBSOXUPV-AWEZNQCLSA-N 0 3 396.915 3.565 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000761193538 859048584 /nfs/dbraw/zinc/04/85/84/859048584.db2.gz HMBVXVDUCIAWCM-ZDUSSCGKSA-N 0 3 384.904 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000761193538 859048592 /nfs/dbraw/zinc/04/85/92/859048592.db2.gz HMBVXVDUCIAWCM-ZDUSSCGKSA-N 0 3 384.904 3.743 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000761199508 859064428 /nfs/dbraw/zinc/06/44/28/859064428.db2.gz PEEJBGVLTALJIR-WFASDCNBSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1ccccc1OCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764590732 859521022 /nfs/dbraw/zinc/52/10/22/859521022.db2.gz QVFJUSHVBDUVOT-MRXNPFEDSA-N 0 3 390.911 3.915 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 ZINC000765244827 859862815 /nfs/dbraw/zinc/86/28/15/859862815.db2.gz OCGXGUIMCXWBNX-HIFRSBDPSA-N 0 3 377.941 3.954 20 10 GHCDHN C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850653 860005054 /nfs/dbraw/zinc/00/50/54/860005054.db2.gz DOFFCKUAJSIQPV-QGTPRVQTSA-N 0 3 376.497 3.505 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000727839508 860288555 /nfs/dbraw/zinc/28/85/55/860288555.db2.gz GVLJUKLPLSZXPI-JOCHJYFZSA-N 0 3 380.536 3.779 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)c2c1 ZINC000170638550 860495374 /nfs/dbraw/zinc/49/53/74/860495374.db2.gz LIJGFYNMSVTVCE-HNNXBMFYSA-N 0 3 386.492 3.901 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)c2c1 ZINC000170638550 860495376 /nfs/dbraw/zinc/49/53/76/860495376.db2.gz LIJGFYNMSVTVCE-HNNXBMFYSA-N 0 3 386.492 3.901 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000734281003 864116339 /nfs/dbraw/zinc/11/63/39/864116339.db2.gz VKXQMBHUGXZYCT-DYESRHJHSA-N 0 3 397.519 3.988 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000736258991 865166469 /nfs/dbraw/zinc/16/64/69/865166469.db2.gz ZMICVHKJNYUODK-UHFFFAOYSA-N 0 3 395.547 3.587 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185297630 865928682 /nfs/dbraw/zinc/92/86/82/865928682.db2.gz CVUGFHUSUNBETK-QGZVFWFLSA-N 0 3 387.549 3.533 20 10 GHCDHN CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])cc2F)CC1 ZINC000185393651 866054139 /nfs/dbraw/zinc/05/41/39/866054139.db2.gz VXXAMOZLBQBIOV-HNNXBMFYSA-N 0 3 375.463 3.663 20 10 GHCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2ccccc2)n1 ZINC000183513734 866810009 /nfs/dbraw/zinc/81/00/09/866810009.db2.gz PJPAJXOEXKKGAH-OAQYLSRUSA-N 0 3 377.488 3.974 20 10 GHCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2ccccc2)n1 ZINC000183513734 866810027 /nfs/dbraw/zinc/81/00/27/866810027.db2.gz PJPAJXOEXKKGAH-OAQYLSRUSA-N 0 3 377.488 3.974 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000743870139 868466356 /nfs/dbraw/zinc/46/63/56/868466356.db2.gz IPWIKXYBBQXMIF-SJORKVTESA-N 0 3 398.503 3.641 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000743870139 868466365 /nfs/dbraw/zinc/46/63/65/868466365.db2.gz IPWIKXYBBQXMIF-SJORKVTESA-N 0 3 398.503 3.641 20 10 GHCDHN COc1ncc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000793529764 882279514 /nfs/dbraw/zinc/27/95/14/882279514.db2.gz UYPSFAZYKKVOPU-GJZGRUSLSA-N 0 3 375.900 3.992 20 10 GHCDHN Cc1cccc(CNCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1O ZINC000182456925 872378033 /nfs/dbraw/zinc/37/80/33/872378033.db2.gz KVLGFWNXBSQWQM-UHFFFAOYSA-N 0 3 398.484 3.581 20 10 GHCDHN COc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc(OC)c1C ZINC000767382189 872480502 /nfs/dbraw/zinc/48/05/02/872480502.db2.gz AVAOWXGRQYEPDF-UHFFFAOYSA-N 0 3 397.519 3.795 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)CC1 ZINC000867131614 872660805 /nfs/dbraw/zinc/66/08/05/872660805.db2.gz WQPFINKCWBVFHP-UHFFFAOYSA-N 0 3 386.427 3.517 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000775699485 872952645 /nfs/dbraw/zinc/95/26/45/872952645.db2.gz FMSIXWWZKGMZCJ-ZBFHGGJFSA-N 0 3 394.512 3.535 20 10 GHCDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768199742 873136429 /nfs/dbraw/zinc/13/64/29/873136429.db2.gz YDIPGMYJHIKCLV-MRXNPFEDSA-N 0 3 396.512 3.900 20 10 GHCDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768199742 873136432 /nfs/dbraw/zinc/13/64/32/873136432.db2.gz YDIPGMYJHIKCLV-MRXNPFEDSA-N 0 3 396.512 3.900 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)[C@H](O)CO2 ZINC000768452256 873310950 /nfs/dbraw/zinc/31/09/50/873310950.db2.gz QLCGRAQBVYRFME-JOCHJYFZSA-N 0 3 394.446 3.597 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1)[C@H](O)CO2 ZINC000768452256 873310969 /nfs/dbraw/zinc/31/09/69/873310969.db2.gz QLCGRAQBVYRFME-JOCHJYFZSA-N 0 3 394.446 3.597 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)c([O-])c1 ZINC000768841295 873622386 /nfs/dbraw/zinc/62/23/86/873622386.db2.gz JXKITZXYYSXUKC-UHFFFAOYSA-N 0 3 384.476 3.650 20 10 GHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527989553 873854925 /nfs/dbraw/zinc/85/49/25/873854925.db2.gz CONPEDURHXSBQK-MEDUHNTESA-N 0 3 378.831 3.649 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)c([O-])c1 ZINC000769534573 874141130 /nfs/dbraw/zinc/14/11/30/874141130.db2.gz WOJTZOLCWCNRSQ-UHFFFAOYSA-N 0 3 386.492 3.520 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)c([O-])c1 ZINC000769534573 874141133 /nfs/dbraw/zinc/14/11/33/874141133.db2.gz WOJTZOLCWCNRSQ-UHFFFAOYSA-N 0 3 386.492 3.520 20 10 GHCDHN CCN(CC1CC[NH+](Cc2c([O-])cccc2OC)CC1)C(=O)OC(C)(C)C ZINC000769546250 874149168 /nfs/dbraw/zinc/14/91/68/874149168.db2.gz VEADMTWYARNNJN-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775834146 874344233 /nfs/dbraw/zinc/34/42/33/874344233.db2.gz KPDNUACEVSFJHA-GFCCVEGCSA-N 0 3 376.844 3.604 20 10 GHCDHN CCc1nc2ccccc2n1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000771629662 875353756 /nfs/dbraw/zinc/35/37/56/875353756.db2.gz WTUFNMOYKMJPNJ-NRFANRHFSA-N 0 3 393.487 3.567 20 10 GHCDHN C[C@@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000776245513 876026956 /nfs/dbraw/zinc/02/69/56/876026956.db2.gz HKIUKIPMEFRZOT-XMSQKQJNSA-N 0 3 380.536 3.730 20 10 GHCDHN C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(O)c1[O-] ZINC000776341279 876307897 /nfs/dbraw/zinc/30/78/97/876307897.db2.gz HUGVLQLKGFVQKH-UHFFFAOYSA-N 0 3 397.302 3.999 20 10 GHCDHN COc1cc(CNCC(=O)Nc2ccc(F)c(F)c2F)c(O)c(C(C)(C)C)c1 ZINC000850007097 876590694 /nfs/dbraw/zinc/59/06/94/876590694.db2.gz HDZAROFHMCJUBO-UHFFFAOYSA-N 0 3 396.409 3.844 20 10 GHCDHN Cc1nn(-c2cccc(F)c2)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406381 876888108 /nfs/dbraw/zinc/88/81/08/876888108.db2.gz FBPYVFILUJKUPF-UHFFFAOYSA-N 0 3 394.494 3.571 20 10 GHCDHN Cc1nn(-c2cccc(C)c2)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406878 876888356 /nfs/dbraw/zinc/88/83/56/876888356.db2.gz XUZPTSDMDVMYNI-UHFFFAOYSA-N 0 3 390.531 3.740 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C2CC2)cc1 ZINC000850758657 877144828 /nfs/dbraw/zinc/14/48/28/877144828.db2.gz IBCOGMPJUSESBU-JOCHJYFZSA-N 0 3 394.519 3.610 20 10 GHCDHN O=C1CCCN1C[C@@H](NCc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000238111100 878785791 /nfs/dbraw/zinc/78/57/91/878785791.db2.gz FTIOYFUWCKRQGY-QGZVFWFLSA-N 0 3 378.394 3.864 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000068706487 878878825 /nfs/dbraw/zinc/87/88/25/878878825.db2.gz ALLXGQLAUHGVOG-SFHVURJKSA-N 0 3 379.504 3.501 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180922116 879498414 /nfs/dbraw/zinc/49/84/14/879498414.db2.gz SQQCMFZAKDLPPM-HTAPYJJXSA-N 0 3 381.520 3.603 20 10 GHCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000790456538 879738348 /nfs/dbraw/zinc/73/83/48/879738348.db2.gz YXEZPKCQBQNOOY-OAHLLOKOSA-N 0 3 389.293 3.505 20 10 GHCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000790456538 879738370 /nfs/dbraw/zinc/73/83/70/879738370.db2.gz YXEZPKCQBQNOOY-OAHLLOKOSA-N 0 3 389.293 3.505 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N(C)C)cc1 ZINC000746979066 880237034 /nfs/dbraw/zinc/23/70/34/880237034.db2.gz AQAALWVPOOPZED-OAQYLSRUSA-N 0 3 386.515 3.556 20 10 GHCDHN COc1ccc([C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C2CC2)cn1 ZINC000858603705 883226096 /nfs/dbraw/zinc/22/60/96/883226096.db2.gz GIEKBVAKTLQLDT-IVZQSRNASA-N 0 3 385.483 3.868 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1O ZINC000184680703 883374645 /nfs/dbraw/zinc/37/46/45/883374645.db2.gz DPNKOJJTVYLSAT-UHFFFAOYSA-N 0 3 389.883 3.608 20 10 GHCDHN COc1ccc(C2=NO[C@H](CNC/C=C/c3ccc(N(C)C)cc3)C2)cc1F ZINC001183618416 912702847 /nfs/dbraw/zinc/70/28/47/912702847.db2.gz HQDAUDBFYHNZLU-PXPVJAHISA-N 0 3 383.467 3.696 20 10 GHCDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccco1 ZINC000807679653 885627949 /nfs/dbraw/zinc/62/79/49/885627949.db2.gz IIJMHGKPMIRQFU-KXBFYZLASA-N 0 3 380.492 3.941 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1 ZINC000747421949 885714274 /nfs/dbraw/zinc/71/42/74/885714274.db2.gz XGPTTZRVWARPCQ-UHFFFAOYSA-N 0 3 383.536 3.713 20 10 GHCDHN CCN1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000919657222 886079929 /nfs/dbraw/zinc/07/99/29/886079929.db2.gz GWORUKJVPVDHRJ-IBGZPJMESA-N 0 3 384.524 3.542 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)cc(C)c3[O-])[C@@H]2C1 ZINC000808722805 886705866 /nfs/dbraw/zinc/70/58/66/886705866.db2.gz GRRPVVGKNLBJON-KYABYICQSA-N 0 3 395.341 3.761 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1[O-] ZINC000808697605 886716386 /nfs/dbraw/zinc/71/63/86/886716386.db2.gz OSALSOIHUTUBCC-CDXJDZJCSA-N 0 3 388.939 3.888 20 10 GHCDHN COc1cc(C[C@@H](CO)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc(OC)c1 ZINC000808700054 886722602 /nfs/dbraw/zinc/72/26/02/886722602.db2.gz INIAWMLOWNXHIP-GDBMZVCRSA-N 0 3 393.911 3.873 20 10 GHCDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000119447594 887103643 /nfs/dbraw/zinc/10/36/43/887103643.db2.gz AKDHPRIUGRRULA-QGZVFWFLSA-N 0 3 387.549 3.517 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000809769989 887758912 /nfs/dbraw/zinc/75/89/12/887758912.db2.gz PEDJQXPGGHVQKP-AWEZNQCLSA-N 0 3 375.774 3.896 20 10 GHCDHN CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809779589 887829579 /nfs/dbraw/zinc/82/95/79/887829579.db2.gz SSDLZARKTIDEMD-IBGZPJMESA-N 0 3 384.476 3.682 20 10 GHCDHN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809779589 887829588 /nfs/dbraw/zinc/82/95/88/887829588.db2.gz SSDLZARKTIDEMD-IBGZPJMESA-N 0 3 384.476 3.682 20 10 GHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@]2(CCOC2)O1 ZINC000794707732 887926312 /nfs/dbraw/zinc/92/63/12/887926312.db2.gz WTAHUGNGZYAQBI-DJJJIMSYSA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@]2(CCOC2)O1 ZINC000794707732 887926315 /nfs/dbraw/zinc/92/63/15/887926315.db2.gz WTAHUGNGZYAQBI-DJJJIMSYSA-N 0 3 392.293 3.688 20 10 GHCDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C)cc1[O-] ZINC000794814100 888184005 /nfs/dbraw/zinc/18/40/05/888184005.db2.gz GZHCQEOMRKAVNV-PBHICJAKSA-N 0 3 394.309 3.944 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000810158936 888248217 /nfs/dbraw/zinc/24/82/17/888248217.db2.gz XEKSFCWHSNSAAH-UHFFFAOYSA-N 0 3 393.365 3.845 20 10 GHCDHN C[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1O ZINC000868560271 889503626 /nfs/dbraw/zinc/50/36/26/889503626.db2.gz PQRFXWRPKYHNFK-LRVUVFPRSA-N 0 3 385.430 3.558 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)c(F)cc3F)c2)CC1 ZINC000122293118 889597784 /nfs/dbraw/zinc/59/77/84/889597784.db2.gz MZDHPEAGGKYEPZ-UHFFFAOYSA-N 0 3 377.410 3.887 20 10 GHCDHN CCOc1ccc(CNCc2ccc(OC)c(Cn3cccn3)c2)cc1OC ZINC000873011814 891426873 /nfs/dbraw/zinc/42/68/73/891426873.db2.gz GUEHSYFVNKJMBJ-UHFFFAOYSA-N 0 3 381.476 3.637 20 10 GHCDHN Cc1ccccc1CN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000873991260 891920033 /nfs/dbraw/zinc/92/00/33/891920033.db2.gz HZDDPOPTWPNIJD-UHFFFAOYSA-N 0 3 379.464 3.506 20 10 GHCDHN OC1CCN(c2ccc(CN3CCC(Oc4ccc(F)cc4)CC3)cc2)CC1 ZINC000876649652 893272915 /nfs/dbraw/zinc/27/29/15/893272915.db2.gz BQRWHXWAQXSLFO-UHFFFAOYSA-N 0 3 384.495 3.830 20 10 GHCDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756506 893794068 /nfs/dbraw/zinc/79/40/68/893794068.db2.gz NUBNTYBYBRISOX-HUUCEWRRSA-N 0 3 381.476 3.809 20 10 GHCDHN COC[C@@H](NCc1cc(OC)c(OC)cc1O)c1cccc(Br)c1 ZINC000877759919 893798048 /nfs/dbraw/zinc/79/80/48/893798048.db2.gz DDJZWFHZASLMMO-OAHLLOKOSA-N 0 3 396.281 3.649 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccco3)cc2)CC1 ZINC000126916842 894024449 /nfs/dbraw/zinc/02/44/49/894024449.db2.gz CTGJTOAGMCXQOH-UHFFFAOYSA-N 0 3 398.551 3.789 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCNCc2cccnc2)c1[O-] ZINC000817940375 895969206 /nfs/dbraw/zinc/96/92/06/895969206.db2.gz MEBZQDRAZKGGMJ-AWEZNQCLSA-N 0 3 378.314 3.689 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000817972449 895990068 /nfs/dbraw/zinc/99/00/68/895990068.db2.gz XRRGVCBXAYTXPD-YWVKMMECSA-N 0 3 392.135 3.708 20 10 GHCDHN CCN(CC)C(=O)[C@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000818115948 896032160 /nfs/dbraw/zinc/03/21/60/896032160.db2.gz DSUMKQRXBYPPQB-AUSIDOKSSA-N 0 3 395.547 3.721 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3cccc4c3CCOC4)cc2F)C[C@@H](C)O1 ZINC000882903417 897087909 /nfs/dbraw/zinc/08/79/09/897087909.db2.gz CBVPZKGODPAYLX-IAGOWNOFSA-N 0 3 384.495 3.802 20 10 GHCDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820211226 897211044 /nfs/dbraw/zinc/21/10/44/897211044.db2.gz ZGOXJCGOIHHNRU-MRXNPFEDSA-N 0 3 379.464 3.586 20 10 GHCDHN Cc1ccc(-c2nc(CNCc3ccc(N4CCN(C)CC4)cc3)co2)cc1 ZINC000883283894 897443609 /nfs/dbraw/zinc/44/36/09/897443609.db2.gz XINSVUJQTNCITI-UHFFFAOYSA-N 0 3 376.504 3.692 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000821392409 897859343 /nfs/dbraw/zinc/85/93/43/897859343.db2.gz ZFODNMJDBDSUHU-AZUAARDMSA-N 0 3 388.552 3.658 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000821392409 897859354 /nfs/dbraw/zinc/85/93/54/897859354.db2.gz ZFODNMJDBDSUHU-AZUAARDMSA-N 0 3 388.552 3.658 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000822515946 898446978 /nfs/dbraw/zinc/44/69/78/898446978.db2.gz FXRUKZMYTQAZOH-GOSISDBHSA-N 0 3 380.282 3.503 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000822515946 898446985 /nfs/dbraw/zinc/44/69/85/898446985.db2.gz FXRUKZMYTQAZOH-GOSISDBHSA-N 0 3 380.282 3.503 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1[O-] ZINC000155346977 898657262 /nfs/dbraw/zinc/65/72/62/898657262.db2.gz OMUXLRHVOJWGRF-IBGZPJMESA-N 0 3 376.522 3.664 20 10 GHCDHN COCCOc1ccc(N2CCN([C@@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001171006821 898866426 /nfs/dbraw/zinc/86/64/26/898866426.db2.gz ZPISBKVBTRSZDG-HXUWFJFHSA-N 0 3 384.495 3.530 20 10 GHCDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000825216184 900031476 /nfs/dbraw/zinc/03/14/76/900031476.db2.gz ZISTYXCEPBDYOC-QGZVFWFLSA-N 0 3 389.337 3.809 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)c([O-])c1 ZINC000775029457 914622772 /nfs/dbraw/zinc/62/27/72/914622772.db2.gz MMTPSFCDIMKCTK-UHFFFAOYSA-N 0 3 388.265 3.639 20 10 GHCDHN COc1ccc(CNCc2cnn(-c3ccc(Br)cc3)c2)c(O)c1 ZINC000775029457 914622781 /nfs/dbraw/zinc/62/27/81/914622781.db2.gz MMTPSFCDIMKCTK-UHFFFAOYSA-N 0 3 388.265 3.639 20 10 GHCDHN Cc1nn(-c2cccc(C)c2)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000845926307 902534907 /nfs/dbraw/zinc/53/49/07/902534907.db2.gz PFWIDZLMDMLGKY-UHFFFAOYSA-N 0 3 376.504 3.616 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000779029958 903219723 /nfs/dbraw/zinc/21/97/23/903219723.db2.gz LYJBPMDCWRBALN-GUYCJALGSA-N 0 3 389.293 3.919 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000779040766 903375843 /nfs/dbraw/zinc/37/58/43/903375843.db2.gz LPNFGQLYGUYJMT-LRDDRELGSA-N 0 3 382.273 3.856 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773231514 904596781 /nfs/dbraw/zinc/59/67/81/904596781.db2.gz WLOALPSETBHMGJ-BBTUJRGHSA-N 0 3 380.536 3.948 20 10 GHCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795436 921169864 /nfs/dbraw/zinc/16/98/64/921169864.db2.gz NLHOVFXLDIWKJI-DYVFJYSZSA-N 0 3 391.493 3.543 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cn2)N(C)C)cc1 ZINC001203253435 906108383 /nfs/dbraw/zinc/10/83/83/906108383.db2.gz WTTMIUGDXGCJCI-MRXNPFEDSA-N 0 3 395.429 3.591 20 10 GHCDHN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184688661 907640198 /nfs/dbraw/zinc/64/01/98/907640198.db2.gz BXDMSUQMMKBPCS-UHFFFAOYSA-N 0 3 376.884 3.778 20 10 GHCDHN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184688661 907640208 /nfs/dbraw/zinc/64/02/08/907640208.db2.gz BXDMSUQMMKBPCS-UHFFFAOYSA-N 0 3 376.884 3.778 20 10 GHCDHN C[NH+](C)CCN(Cc1ccccc1F)Cc1c([O-])cccc1Br ZINC001181562488 910859182 /nfs/dbraw/zinc/85/91/82/910859182.db2.gz BCOOVVQAGNGFSV-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329162 910863986 /nfs/dbraw/zinc/86/39/86/910863986.db2.gz MVUMSOUXTCKQQJ-DENIHFKCSA-N 0 3 377.488 3.738 20 10 GHCDHN Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329162 910863998 /nfs/dbraw/zinc/86/39/98/910863998.db2.gz MVUMSOUXTCKQQJ-DENIHFKCSA-N 0 3 377.488 3.738 20 10 GHCDHN COc1cc(Br)cc(CN(C)CCC(=O)c2ccccc2)c1O ZINC001204339677 911596034 /nfs/dbraw/zinc/59/60/34/911596034.db2.gz OOVKIWODRGOFCO-UHFFFAOYSA-N 0 3 378.266 3.868 20 10 GHCDHN CC(C)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000774396127 911707848 /nfs/dbraw/zinc/70/78/48/911707848.db2.gz SQLMVMREUNVVLL-OAQYLSRUSA-N 0 3 399.466 3.996 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC(C)(C)C)c1ccccc1)cc2=O ZINC000775133768 915397663 /nfs/dbraw/zinc/39/76/63/915397663.db2.gz YRNOXZAOVQSBQV-SFHVURJKSA-N 0 3 396.491 3.879 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000775253773 916644532 /nfs/dbraw/zinc/64/45/32/916644532.db2.gz DZZOUUOMHURZCX-CQSZACIVSA-N 0 3 391.874 3.605 20 10 GHCDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000775253391 916646130 /nfs/dbraw/zinc/64/61/30/916646130.db2.gz BYHFPTABMPQABM-MRXNPFEDSA-N 0 3 387.911 3.774 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2cccc(Cl)c2Cl)c1 ZINC000775370953 917209147 /nfs/dbraw/zinc/20/91/47/917209147.db2.gz KDGCHPKIJMSQBJ-GFCCVEGCSA-N 0 3 397.302 3.717 20 10 GHCDHN C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000775407380 917529639 /nfs/dbraw/zinc/52/96/39/917529639.db2.gz TVURXPYKGBZFTC-FQEVSTJZSA-N 0 3 394.563 3.532 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c2c1c(F)ccc2[O-] ZINC000903425374 923015881 /nfs/dbraw/zinc/01/58/81/923015881.db2.gz BWEQHXNGOFXXOP-SJKOYZFVSA-N 0 3 390.480 3.774 20 10 GHCDHN COC1CCN(c2ccc(CN(C)C[C@@H]3COc4ccccc4O3)cc2)CC1 ZINC000827373869 925377699 /nfs/dbraw/zinc/37/76/99/925377699.db2.gz OJXWOBXPDZCDSB-OAQYLSRUSA-N 0 3 382.504 3.574 20 10 GHCDHN CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000827680064 925920803 /nfs/dbraw/zinc/92/08/03/925920803.db2.gz MNONENJNKDRGON-HXUWFJFHSA-N 0 3 382.504 3.708 20 10 GHCDHN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000827680064 925920809 /nfs/dbraw/zinc/92/08/09/925920809.db2.gz MNONENJNKDRGON-HXUWFJFHSA-N 0 3 382.504 3.708 20 10 GHCDHN COC[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000394287195 926413332 /nfs/dbraw/zinc/41/33/32/926413332.db2.gz XHYSHTOZTRDMDT-HRAATJIYSA-N 0 3 378.513 3.767 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000725851177 926468558 /nfs/dbraw/zinc/46/85/58/926468558.db2.gz JNXWEZBVRLYBIN-MRXNPFEDSA-N 0 3 383.492 3.508 20 10 GHCDHN CCCC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753539071 929397973 /nfs/dbraw/zinc/39/79/73/929397973.db2.gz YBAJRHWLYNACCP-UHFFFAOYSA-N 0 3 382.504 3.852 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000759157555 930292991 /nfs/dbraw/zinc/29/29/91/930292991.db2.gz KPXMSJSLHBDRHL-MGPUTAFESA-N 0 3 379.460 3.612 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000759157555 930292997 /nfs/dbraw/zinc/29/29/97/930292997.db2.gz KPXMSJSLHBDRHL-MGPUTAFESA-N 0 3 379.460 3.612 20 10 GHCDHN Cc1cccc(CN(CCN(C)C)C(=O)NCCCSc2nccs2)c1 ZINC000759591904 930416984 /nfs/dbraw/zinc/41/69/84/930416984.db2.gz UFKMPXICNRQMDA-UHFFFAOYSA-N 0 3 392.594 3.707 20 10 GHCDHN C[C@@H](NCc1cncn1Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000782529477 931259946 /nfs/dbraw/zinc/25/99/46/931259946.db2.gz PUHYLLVMXJGNRR-LJQANCHMSA-N 0 3 376.504 3.619 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000783504998 931566226 /nfs/dbraw/zinc/56/62/26/931566226.db2.gz PTVKEHYHNHECHL-IAGOWNOFSA-N 0 3 388.533 3.664 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000783596151 931591474 /nfs/dbraw/zinc/59/14/74/931591474.db2.gz CWRNNQTZZRZWNO-AWEZNQCLSA-N 0 3 377.282 3.623 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000783596151 931591479 /nfs/dbraw/zinc/59/14/79/931591479.db2.gz CWRNNQTZZRZWNO-AWEZNQCLSA-N 0 3 377.282 3.623 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC([C@H](O)c4ccccc4)CC3)cc2F)CC1 ZINC001116436805 933557780 /nfs/dbraw/zinc/55/77/80/933557780.db2.gz HRWUSRPPJVMURU-XMMPIXPASA-N 0 3 397.538 3.523 20 10 GHCDHN COC1CCN(c2ccc(CN[C@@H](CC(=O)N(C)C)c3ccccc3)cc2)CC1 ZINC000828670169 935687102 /nfs/dbraw/zinc/68/71/02/935687102.db2.gz YZZAFJPOMJACJM-QHCPKHFHSA-N 0 3 395.547 3.611 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276103 1032717198 /nfs/dbraw/zinc/71/71/98/1032717198.db2.gz GSMVDCATCVPFFC-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276103 1032717212 /nfs/dbraw/zinc/71/72/12/1032717212.db2.gz GSMVDCATCVPFFC-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN COc1ccc(CC[N@H+](C)Cc2cc(Br)cc(OC)c2[O-])cc1 ZINC001204339970 1032781376 /nfs/dbraw/zinc/78/13/76/1032781376.db2.gz ZKPNLSHDBSULOM-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1ccc(CC[N@@H+](C)Cc2cc(Br)cc(OC)c2[O-])cc1 ZINC001204339970 1032781379 /nfs/dbraw/zinc/78/13/79/1032781379.db2.gz ZKPNLSHDBSULOM-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000092585381 1021084890 /nfs/dbraw/zinc/08/48/90/1021084890.db2.gz JEOSHUHNULCYFJ-QGZVFWFLSA-N 0 3 387.549 3.517 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)CC2 ZINC000834783373 1021469544 /nfs/dbraw/zinc/46/95/44/1021469544.db2.gz HJDILBBBFWRICJ-PBHICJAKSA-N 0 3 376.294 3.583 20 10 GHCDHN C[C@]12CCN(Cc3ccccc3O)C[C@H]1C2(Br)Br ZINC000826888198 1021823694 /nfs/dbraw/zinc/82/36/94/1021823694.db2.gz DCDOSSZQNVUWMS-OLZOCXBDSA-N 0 3 375.104 3.720 20 10 GHCDHN COc1cc2c(c(OC)c1OC)CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC001204674756 1033025206 /nfs/dbraw/zinc/02/52/06/1033025206.db2.gz WYOVRVYGAKBWLE-VOTSOKGWSA-N 0 3 396.531 3.892 20 10 GHCDHN Cc1nc(COC[C@@H]2Cn3nccc3CN(Cc3cc(C)ccc3O)C2)cs1 ZINC001140620418 1022091671 /nfs/dbraw/zinc/09/16/71/1022091671.db2.gz NOJIUKUYXKFLCD-KRWDZBQOSA-N 0 3 398.532 3.511 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c([O-])c1 ZINC001140950329 1022972371 /nfs/dbraw/zinc/97/23/71/1022972371.db2.gz QKMAJWPBEJIAAN-HXUWFJFHSA-N 0 3 382.504 3.793 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4ccc(C)cc4[O-])C[C@H]2C3)c1 ZINC001140952090 1022979653 /nfs/dbraw/zinc/97/96/53/1022979653.db2.gz DSJGRNAAZHZYFL-QUCCMNQESA-N 0 3 389.499 3.881 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4ccc(C)cc4[O-])C[C@H]2C3)c1 ZINC001140952090 1022979660 /nfs/dbraw/zinc/97/96/60/1022979660.db2.gz DSJGRNAAZHZYFL-QUCCMNQESA-N 0 3 389.499 3.881 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c(OC)c1 ZINC001141032139 1023299462 /nfs/dbraw/zinc/29/94/62/1023299462.db2.gz UJWCOZOERXJUHU-CABCVRRESA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c(OC)c1 ZINC001141032139 1023299470 /nfs/dbraw/zinc/29/94/70/1023299470.db2.gz UJWCOZOERXJUHU-CABCVRRESA-N 0 3 394.512 3.535 20 10 GHCDHN O=C(NC1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1)N1CCCCC1 ZINC001141079232 1023444960 /nfs/dbraw/zinc/44/49/60/1023444960.db2.gz XSRQDEMCHVXGQT-UHFFFAOYSA-N 0 3 396.579 3.545 20 10 GHCDHN COc1ccc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)nc1 ZINC001141079253 1023445252 /nfs/dbraw/zinc/44/52/52/1023445252.db2.gz ZBPHGXHFVXCDJZ-UHFFFAOYSA-N 0 3 393.531 3.832 20 10 GHCDHN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000756606171 1023734773 /nfs/dbraw/zinc/73/47/73/1023734773.db2.gz WDGXDMOPCPZYSB-MHECFPHRSA-N 0 3 376.500 3.833 20 10 GHCDHN CCOC(=O)COc1ccc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756734209 1023791947 /nfs/dbraw/zinc/79/19/47/1023791947.db2.gz WGVDSJWESHDPKD-KDOFPFPSSA-N 0 3 387.451 3.854 20 10 GHCDHN Oc1c(CN2CCN(c3ccc(F)cc3)CC2)cc2c3c1CCCN3CCC2 ZINC001138338161 1024699549 /nfs/dbraw/zinc/69/95/49/1024699549.db2.gz LMCBRFCFCJLKGU-UHFFFAOYSA-N 0 3 381.495 3.552 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Oc2ncccn2)c1 ZINC001138622330 1025118475 /nfs/dbraw/zinc/11/84/75/1025118475.db2.gz MSEANXIYENLXIM-UHFFFAOYSA-N 0 3 390.487 3.738 20 10 GHCDHN Cc1ccc2cc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)ccc2n1 ZINC000839145200 1025640766 /nfs/dbraw/zinc/64/07/66/1025640766.db2.gz NNFTYEOBFZZRCC-UHFFFAOYSA-N 0 3 383.442 3.948 20 10 GHCDHN Cc1ccc([C@H](CN2CCOCC2)NCc2ccc(N3CCCC3)cc2)cc1 ZINC001461017489 1069338126 /nfs/dbraw/zinc/33/81/26/1069338126.db2.gz RVKRUUAHUFCWJO-DEOSSOPVSA-N 0 3 379.548 3.758 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001139387310 1026253486 /nfs/dbraw/zinc/25/34/86/1026253486.db2.gz BQEPIPOKMHCSCC-KDURUIRLSA-N 0 3 382.552 3.783 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(OCC(F)F)cc3)cc2F)CC1 ZINC001461102019 1069390016 /nfs/dbraw/zinc/39/00/16/1069390016.db2.gz ZKTCOXADCSRUKB-UHFFFAOYSA-N 0 3 394.437 3.721 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2CF)CC1 ZINC001140063139 1026842528 /nfs/dbraw/zinc/84/25/28/1026842528.db2.gz LNGGJTICOUXKDG-HOCLYGCPSA-N 0 3 382.451 3.606 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2CF)CC1 ZINC001140063139 1026842537 /nfs/dbraw/zinc/84/25/37/1026842537.db2.gz LNGGJTICOUXKDG-HOCLYGCPSA-N 0 3 382.451 3.606 20 10 GHCDHN Cc1ccc(C)c(CN2CCCn3cnc(COc4cccnc4)c3C2)c1O ZINC001140181482 1026954205 /nfs/dbraw/zinc/95/42/05/1026954205.db2.gz WGHNJGOVTONCQF-UHFFFAOYSA-N 0 3 378.476 3.585 20 10 GHCDHN Cc1cccc(N2CCC[N@H+](Cc3cc(Br)ccc3[O-])CC2)n1 ZINC001203645416 1027502033 /nfs/dbraw/zinc/50/20/33/1027502033.db2.gz HTHNIAUTFNGWJS-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)ccc3[O-])CC2)n1 ZINC001203645416 1027502042 /nfs/dbraw/zinc/50/20/42/1027502042.db2.gz HTHNIAUTFNGWJS-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000840761000 1027804548 /nfs/dbraw/zinc/80/45/48/1027804548.db2.gz MYMUKZLCXGYPOF-OAHLLOKOSA-N 0 3 375.463 3.718 20 10 GHCDHN COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000840809300 1027849212 /nfs/dbraw/zinc/84/92/12/1027849212.db2.gz QEQCRSABTCCSNL-UKRRQHHQSA-N 0 3 394.309 3.898 20 10 GHCDHN CCOCc1cc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)ccc1OC ZINC000840972720 1028007674 /nfs/dbraw/zinc/00/76/74/1028007674.db2.gz SENKBZYDBPPGGV-QHCPKHFHSA-N 0 3 399.531 3.852 20 10 GHCDHN CCOCc1cc(CNCc2ccc(C)cc2N2CCOCC2)ccc1OC ZINC001461315288 1069496285 /nfs/dbraw/zinc/49/62/85/1069496285.db2.gz WUSZUXWJKSYVLG-UHFFFAOYSA-N 0 3 384.520 3.667 20 10 GHCDHN CCC(N)(CC)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841031426 1028057523 /nfs/dbraw/zinc/05/75/23/1028057523.db2.gz TVAIVNKJDMJSQA-UHFFFAOYSA-N 0 3 380.124 3.524 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CNCc3cnc(N(C)C)n3C)cc2Cl)C1 ZINC000842207289 1029147623 /nfs/dbraw/zinc/14/76/23/1029147623.db2.gz NGSFHEUJMUVPHC-OAHLLOKOSA-N 0 3 375.948 3.666 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842926191 1029692132 /nfs/dbraw/zinc/69/21/32/1029692132.db2.gz BLYZWFBNHWNEHT-GXTWGEPZSA-N 0 3 398.400 3.806 20 10 GHCDHN CC(C)(C)c1cccc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)c1O ZINC001143105133 1029842427 /nfs/dbraw/zinc/84/24/27/1029842427.db2.gz KKTSKLGCTMAGJD-GOSISDBHSA-N 0 3 383.536 3.945 20 10 GHCDHN COc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1Cn1cccn1 ZINC001461656764 1069661581 /nfs/dbraw/zinc/66/15/81/1069661581.db2.gz XDUPTUJQVXZTPK-PKTZIBPZSA-N 0 3 379.504 3.788 20 10 GHCDHN C[C@@H]1CC[C@@](CO)(NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC001461822166 1069772267 /nfs/dbraw/zinc/77/22/67/1069772267.db2.gz UCPNUHRGTIYPIB-HXOBKFHXSA-N 0 3 384.495 3.537 20 10 GHCDHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1Cc1cc(C)cc(OC)c1O ZINC001205409241 1033398356 /nfs/dbraw/zinc/39/83/56/1033398356.db2.gz JYNLXYBCKIJDMP-QHCPKHFHSA-N 0 3 383.488 3.850 20 10 GHCDHN COc1cc(C)c(CNCC(=O)Nc2ccc(Br)cc2C)c(O)c1 ZINC001206366470 1033815443 /nfs/dbraw/zinc/81/54/43/1033815443.db2.gz TUCKGOOCGSTYBJ-UHFFFAOYSA-N 0 3 393.281 3.508 20 10 GHCDHN COc1ccc(OC)c(CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c1 ZINC001231588355 1034742729 /nfs/dbraw/zinc/74/27/29/1034742729.db2.gz LJWIOIGWAHYRIM-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC001231589862 1034744000 /nfs/dbraw/zinc/74/40/00/1034744000.db2.gz SCMIGDGLPQTGNS-HSZRJFAPSA-N 0 3 398.503 3.757 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC001231589862 1034744012 /nfs/dbraw/zinc/74/40/12/1034744012.db2.gz SCMIGDGLPQTGNS-HSZRJFAPSA-N 0 3 398.503 3.757 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001231590906 1034746180 /nfs/dbraw/zinc/74/61/80/1034746180.db2.gz PSTONFGJRSUSBX-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001231851904 1034942700 /nfs/dbraw/zinc/94/27/00/1034942700.db2.gz OJARSDHUSAWLQK-JOCHJYFZSA-N 0 3 389.540 3.737 20 10 GHCDHN Cc1ccnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])c1[N+](=O)[O-] ZINC001160616865 1035016345 /nfs/dbraw/zinc/01/63/45/1035016345.db2.gz WFYZGTQDYWJFMQ-QZTJIDSGSA-N 0 3 380.404 3.563 20 10 GHCDHN CSc1nc(C)cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160616939 1035017958 /nfs/dbraw/zinc/01/79/58/1035017958.db2.gz YBJRNQYAPHSNRO-RTBURBONSA-N 0 3 382.489 3.771 20 10 GHCDHN CCc1cc(Cl)nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160622217 1035018514 /nfs/dbraw/zinc/01/85/14/1035018514.db2.gz BPPVSVQSFNUZRI-RTBURBONSA-N 0 3 384.867 3.957 20 10 GHCDHN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232145559 1035123146 /nfs/dbraw/zinc/12/31/46/1035123146.db2.gz BMYMIMKCHHDIQR-UHFFFAOYSA-N 0 3 381.495 3.946 20 10 GHCDHN COc1cc(I)cc(C[N@H+](C)Cc2ccccc2)c1[O-] ZINC001248386206 1035797564 /nfs/dbraw/zinc/79/75/64/1035797564.db2.gz INTSZXYRXFKNIU-UHFFFAOYSA-N 0 3 383.229 3.637 20 10 GHCDHN COc1cc(I)cc(C[N@@H+](C)Cc2ccccc2)c1[O-] ZINC001248386206 1035797576 /nfs/dbraw/zinc/79/75/76/1035797576.db2.gz INTSZXYRXFKNIU-UHFFFAOYSA-N 0 3 383.229 3.637 20 10 GHCDHN COc1cc([O-])c(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1Cl ZINC001232269061 1037992329 /nfs/dbraw/zinc/99/23/29/1037992329.db2.gz ZYVJOGUASFZIAQ-RTBURBONSA-N 0 3 386.923 3.926 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233110185 1038900582 /nfs/dbraw/zinc/90/05/82/1038900582.db2.gz YMBGVPAWWDQSET-OAHLLOKOSA-N 0 3 399.329 3.904 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233110185 1038900585 /nfs/dbraw/zinc/90/05/85/1038900585.db2.gz YMBGVPAWWDQSET-OAHLLOKOSA-N 0 3 399.329 3.904 20 10 GHCDHN O=C1COC2(C1)CC[NH+](Cc1c([O-])ccc3cc(Br)ccc31)CC2 ZINC001233194502 1038961973 /nfs/dbraw/zinc/96/19/73/1038961973.db2.gz WPAFRQRLGDDDEX-UHFFFAOYSA-N 0 3 390.277 3.632 20 10 GHCDHN Oc1cc(O)c(CN2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cc1O ZINC001233484589 1039381351 /nfs/dbraw/zinc/38/13/51/1039381351.db2.gz PZIHHEWZVYRUKX-HXUWFJFHSA-N 0 3 390.430 3.541 20 10 GHCDHN COc1cccnc1O[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233775719 1039605938 /nfs/dbraw/zinc/60/59/38/1039605938.db2.gz AWFJWPPSAORYJI-AWEZNQCLSA-N 0 3 398.381 3.738 20 10 GHCDHN CCOC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)Cc2c1cnn2CC ZINC001234535705 1040108600 /nfs/dbraw/zinc/10/86/00/1040108600.db2.gz DSRCLNHDATVGQC-KRWDZBQOSA-N 0 3 395.503 3.906 20 10 GHCDHN COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)CC2 ZINC001234552880 1040122489 /nfs/dbraw/zinc/12/24/89/1040122489.db2.gz NJXXJIZYOMWEQV-UHFFFAOYSA-N 0 3 377.440 3.899 20 10 GHCDHN COC(=O)c1ccc2c(c1)C[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)CC2 ZINC001234552880 1040122498 /nfs/dbraw/zinc/12/24/98/1040122498.db2.gz NJXXJIZYOMWEQV-UHFFFAOYSA-N 0 3 377.440 3.899 20 10 GHCDHN COC(=O)c1cccc2c1CC[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234569129 1040137415 /nfs/dbraw/zinc/13/74/15/1040137415.db2.gz JXSDIOJPJXXZKQ-UHFFFAOYSA-N 0 3 377.440 3.899 20 10 GHCDHN COC(=O)c1cccc2c1CC[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234569129 1040137417 /nfs/dbraw/zinc/13/74/17/1040137417.db2.gz JXSDIOJPJXXZKQ-UHFFFAOYSA-N 0 3 377.440 3.899 20 10 GHCDHN C[C@@H]([NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1[O-] ZINC001254717144 1040476499 /nfs/dbraw/zinc/47/64/99/1040476499.db2.gz DBBGCJMMLQQNCC-CSZIGFGKSA-N 0 3 390.524 3.992 20 10 GHCDHN CCOC[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cnn(C)c21 ZINC001234988389 1040485354 /nfs/dbraw/zinc/48/53/54/1040485354.db2.gz NYMUDEDAHGAPPT-FQEVSTJZSA-N 0 3 377.488 3.929 20 10 GHCDHN CCOC[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cnn(C)c21 ZINC001234988389 1040485359 /nfs/dbraw/zinc/48/53/59/1040485359.db2.gz NYMUDEDAHGAPPT-FQEVSTJZSA-N 0 3 377.488 3.929 20 10 GHCDHN CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])[C@@H]2C1 ZINC001234996246 1040490253 /nfs/dbraw/zinc/49/02/53/1040490253.db2.gz XOPIKOSZZVQOLB-KSEOMHKRSA-N 0 3 394.515 3.563 20 10 GHCDHN CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])[C@@H]2C1 ZINC001234996246 1040490264 /nfs/dbraw/zinc/49/02/64/1040490264.db2.gz XOPIKOSZZVQOLB-KSEOMHKRSA-N 0 3 394.515 3.563 20 10 GHCDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2C1 ZINC001234995255 1040490550 /nfs/dbraw/zinc/49/05/50/1040490550.db2.gz KAJFXKGALXFTCI-OWZKRDHZSA-N 0 3 376.500 3.796 20 10 GHCDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2C1 ZINC001234995255 1040490559 /nfs/dbraw/zinc/49/05/59/1040490559.db2.gz KAJFXKGALXFTCI-OWZKRDHZSA-N 0 3 376.500 3.796 20 10 GHCDHN C[NH+]1CCC(C2CCN(Cc3cc(F)cc(Br)c3[O-])CC2)CC1 ZINC001235302915 1040776749 /nfs/dbraw/zinc/77/67/49/1040776749.db2.gz WIEPYUSBIAICTR-UHFFFAOYSA-N 0 3 385.321 3.848 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([O-])c1 ZINC001235678318 1041137443 /nfs/dbraw/zinc/13/74/43/1041137443.db2.gz FXZPZFDRKOMWTL-PGRDOPGGSA-N 0 3 384.520 3.616 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([O-])c1 ZINC001235678318 1041137460 /nfs/dbraw/zinc/13/74/60/1041137460.db2.gz FXZPZFDRKOMWTL-PGRDOPGGSA-N 0 3 384.520 3.616 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001235678397 1041139188 /nfs/dbraw/zinc/13/91/88/1041139188.db2.gz HHLHTOLZAMAURU-GBXCKJPGSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001235678397 1041139211 /nfs/dbraw/zinc/13/92/11/1041139211.db2.gz HHLHTOLZAMAURU-GBXCKJPGSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([O-])c1 ZINC001235677600 1041139299 /nfs/dbraw/zinc/13/92/99/1041139299.db2.gz CFCWOFZLOXGKFA-MSOLQXFVSA-N 0 3 385.533 3.635 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([O-])c1 ZINC001235677600 1041139314 /nfs/dbraw/zinc/13/93/14/1041139314.db2.gz CFCWOFZLOXGKFA-MSOLQXFVSA-N 0 3 385.533 3.635 20 10 GHCDHN COCCOc1ccc(N2CCN([C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001255720181 1041247571 /nfs/dbraw/zinc/24/75/71/1041247571.db2.gz KITQGORTWCGCNM-FUHWJXTLSA-N 0 3 386.458 3.955 20 10 GHCDHN Cc1cccc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC001256237065 1041670961 /nfs/dbraw/zinc/67/09/61/1041670961.db2.gz QCNSOWBIPORUIU-JOCHJYFZSA-N 0 3 382.552 3.814 20 10 GHCDHN CCc1ccc(C[N@H+](CCOC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786887 1041893558 /nfs/dbraw/zinc/89/35/58/1041893558.db2.gz FFRAVALBFHTTKD-IBGZPJMESA-N 0 3 392.540 3.803 20 10 GHCDHN CCc1ccc(C[N@@H+](CCOC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786887 1041893566 /nfs/dbraw/zinc/89/35/66/1041893566.db2.gz FFRAVALBFHTTKD-IBGZPJMESA-N 0 3 392.540 3.803 20 10 GHCDHN CCc1ccc(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c(O)c1 ZINC001236788397 1041894121 /nfs/dbraw/zinc/89/41/21/1041894121.db2.gz TVHQSNUDNUVYBS-ZJSXRUAMSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc(C)c(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c([O-])c1 ZINC001236810785 1041910338 /nfs/dbraw/zinc/91/03/38/1041910338.db2.gz JCTKTXMKBHTMSI-NHCUHLMSSA-N 0 3 396.487 3.695 20 10 GHCDHN COc1cc(C)c(C[N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c([O-])c1 ZINC001236810785 1041910340 /nfs/dbraw/zinc/91/03/40/1041910340.db2.gz JCTKTXMKBHTMSI-NHCUHLMSSA-N 0 3 396.487 3.695 20 10 GHCDHN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236831645 1041921680 /nfs/dbraw/zinc/92/16/80/1041921680.db2.gz XANHCUCPMAGDPJ-XKCSPQBFSA-N 0 3 394.515 3.584 20 10 GHCDHN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236831645 1041921683 /nfs/dbraw/zinc/92/16/83/1041921683.db2.gz XANHCUCPMAGDPJ-XKCSPQBFSA-N 0 3 394.515 3.584 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CCC[C@H](CF)C3)cc2C1 ZINC001236844479 1041926351 /nfs/dbraw/zinc/92/63/51/1041926351.db2.gz ALMVCGMIFBNPPI-OAHLLOKOSA-N 0 3 394.487 3.703 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CCC[C@H](CF)C3)cc2C1 ZINC001236844479 1041926352 /nfs/dbraw/zinc/92/63/52/1041926352.db2.gz ALMVCGMIFBNPPI-OAHLLOKOSA-N 0 3 394.487 3.703 20 10 GHCDHN [O-]c1c(Br)cc(F)cc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961482 1041970867 /nfs/dbraw/zinc/97/08/67/1041970867.db2.gz AXIYNORTNNWTPM-UHFFFAOYSA-N 0 3 385.321 3.896 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C[C@H]1c1ccccc1 ZINC001237043164 1042002869 /nfs/dbraw/zinc/00/28/69/1042002869.db2.gz MAAAYZKPLDPHQL-SFTDATJTSA-N 0 3 383.488 3.960 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C[C@H]1c1ccccc1 ZINC001237043164 1042002875 /nfs/dbraw/zinc/00/28/75/1042002875.db2.gz MAAAYZKPLDPHQL-SFTDATJTSA-N 0 3 383.488 3.960 20 10 GHCDHN CCOc1ccc(CN2CCN(c3cccc(Br)c3)CC2)c(O)c1 ZINC001237043598 1042003687 /nfs/dbraw/zinc/00/36/87/1042003687.db2.gz OLNJMTKKEAZJLO-UHFFFAOYSA-N 0 3 391.309 3.876 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)c([O-])c1 ZINC001237044008 1042004424 /nfs/dbraw/zinc/00/44/24/1042004424.db2.gz VOIKYGZNEJLMOC-GGAORHGYSA-N 0 3 386.536 3.937 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)c([O-])c1 ZINC001237044008 1042004433 /nfs/dbraw/zinc/00/44/33/1042004433.db2.gz VOIKYGZNEJLMOC-GGAORHGYSA-N 0 3 386.536 3.937 20 10 GHCDHN CC(C)c1ccc(CN2CC[C@H]3[C@H](C2)OCCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001237046240 1042004862 /nfs/dbraw/zinc/00/48/62/1042004862.db2.gz RQZFLTQARAZALJ-ICSRJNTNSA-N 0 3 390.524 3.726 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c([O-])c1 ZINC001237048682 1042007268 /nfs/dbraw/zinc/00/72/68/1042007268.db2.gz MXGWMYOTNFZYTJ-LJQANCHMSA-N 0 3 386.536 3.555 20 10 GHCDHN COc1cccc(N2CCN(Cc3ccc(OCC(F)(F)F)cc3O)CC2)c1 ZINC001237051509 1042010311 /nfs/dbraw/zinc/01/03/11/1042010311.db2.gz MBYVXOBTOODYDP-UHFFFAOYSA-N 0 3 396.409 3.664 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001237052228 1042010795 /nfs/dbraw/zinc/01/07/95/1042010795.db2.gz SAPXVARJWPYUBY-TZIWHRDSSA-N 0 3 382.479 3.745 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001237052228 1042010802 /nfs/dbraw/zinc/01/08/02/1042010802.db2.gz SAPXVARJWPYUBY-TZIWHRDSSA-N 0 3 382.479 3.745 20 10 GHCDHN COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC001237052895 1042011831 /nfs/dbraw/zinc/01/18/31/1042011831.db2.gz FCVWOVIDQYOASV-UHFFFAOYSA-N 0 3 382.504 3.919 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001237062064 1042016475 /nfs/dbraw/zinc/01/64/75/1042016475.db2.gz JONBTQCCVJMXDP-IRXDYDNUSA-N 0 3 392.421 3.902 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237112069 1042044450 /nfs/dbraw/zinc/04/44/50/1042044450.db2.gz ZWRZCYAPXJTTMS-UHFFFAOYSA-N 0 3 396.409 3.759 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237112069 1042044453 /nfs/dbraw/zinc/04/44/53/1042044453.db2.gz ZWRZCYAPXJTTMS-UHFFFAOYSA-N 0 3 396.409 3.759 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(O)cccc1OC(F)(F)F ZINC001237112069 1042044459 /nfs/dbraw/zinc/04/44/59/1042044459.db2.gz ZWRZCYAPXJTTMS-UHFFFAOYSA-N 0 3 396.409 3.759 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001237486190 1042230008 /nfs/dbraw/zinc/23/00/08/1042230008.db2.gz PEBLYHBJIFNGEH-HYBUGGRVSA-N 0 3 394.515 3.644 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001237486190 1042230013 /nfs/dbraw/zinc/23/00/13/1042230013.db2.gz PEBLYHBJIFNGEH-HYBUGGRVSA-N 0 3 394.515 3.644 20 10 GHCDHN COc1cc(CN2CCC3(CC(=O)c4ccc(F)cc43)CC2)c(O)c(OC)c1 ZINC001237670201 1042315317 /nfs/dbraw/zinc/31/53/17/1042315317.db2.gz QQQMECQWQUYQFO-UHFFFAOYSA-N 0 3 385.435 3.669 20 10 GHCDHN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237677803 1042318850 /nfs/dbraw/zinc/31/88/50/1042318850.db2.gz OQKIQGZNUPOGJT-AWEZNQCLSA-N 0 3 383.330 3.544 20 10 GHCDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237677803 1042318857 /nfs/dbraw/zinc/31/88/57/1042318857.db2.gz OQKIQGZNUPOGJT-AWEZNQCLSA-N 0 3 383.330 3.544 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2cc(Cl)cc(C)c2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237680542 1042321602 /nfs/dbraw/zinc/32/16/02/1042321602.db2.gz TYWIIDMRVFSGNH-RXVVDRJESA-N 0 3 394.943 3.736 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237680542 1042321607 /nfs/dbraw/zinc/32/16/07/1042321607.db2.gz TYWIIDMRVFSGNH-RXVVDRJESA-N 0 3 394.943 3.736 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1[O-] ZINC001237690294 1042328951 /nfs/dbraw/zinc/32/89/51/1042328951.db2.gz VFAQZZQFADLENW-UHFFFAOYSA-N 0 3 376.859 3.888 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCC(NC(=O)c3cccc(F)c3)CC2)c1O ZINC001237690294 1042328958 /nfs/dbraw/zinc/32/89/58/1042328958.db2.gz VFAQZZQFADLENW-UHFFFAOYSA-N 0 3 376.859 3.888 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1)c1cccc(F)c1 ZINC001237939732 1042430340 /nfs/dbraw/zinc/43/03/40/1042430340.db2.gz FPPJYFHTWHBMQV-UHFFFAOYSA-N 0 3 380.822 3.718 20 10 GHCDHN COCCOc1ccc(N2CCN(C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001258515199 1044590795 /nfs/dbraw/zinc/59/07/95/1044590795.db2.gz KHHDYPBUNMBICO-UHFFFAOYSA-N 0 3 395.547 3.503 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c([O-])c1 ZINC000700143401 1047578706 /nfs/dbraw/zinc/57/87/06/1047578706.db2.gz MQSYHLDBRGTWTA-MRXNPFEDSA-N 0 3 378.513 3.916 20 10 GHCDHN Cc1cc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c([O-])cc1Br ZINC001279826806 1047962280 /nfs/dbraw/zinc/96/22/80/1047962280.db2.gz VKRSERBDFXHBHL-KBXCAEBGSA-N 0 3 379.342 3.912 20 10 GHCDHN Cc1cc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c([O-])cc1Br ZINC001279826806 1047962285 /nfs/dbraw/zinc/96/22/85/1047962285.db2.gz VKRSERBDFXHBHL-KBXCAEBGSA-N 0 3 379.342 3.912 20 10 GHCDHN CCc1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccc(N(CC)CC)cc1 ZINC001306203938 1048504006 /nfs/dbraw/zinc/50/40/06/1048504006.db2.gz IWOPDKTXEVWDOJ-UHFFFAOYSA-N 0 3 398.599 3.513 20 10 GHCDHN COc1ccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000731848515 1048919391 /nfs/dbraw/zinc/91/93/91/1048919391.db2.gz ZJNAHZVLXJNQLG-UHFFFAOYSA-N 0 3 399.447 3.692 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307538451 1049381639 /nfs/dbraw/zinc/38/16/39/1049381639.db2.gz ZFOZGOGVJDKYRT-GOSISDBHSA-N 0 3 390.524 3.630 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307538451 1049381655 /nfs/dbraw/zinc/38/16/55/1049381655.db2.gz ZFOZGOGVJDKYRT-GOSISDBHSA-N 0 3 390.524 3.630 20 10 GHCDHN Cc1nn(C(C)(C)C)c(C)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC001308225159 1049919258 /nfs/dbraw/zinc/91/92/58/1049919258.db2.gz WPYNFIQMFWERMW-UHFFFAOYSA-N 0 3 384.568 3.753 20 10 GHCDHN COc1ccc(F)cc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001308261237 1049930121 /nfs/dbraw/zinc/93/01/21/1049930121.db2.gz AUUHKMGKAYMIIX-SFHVURJKSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1cc([C@@H](C)NC/C=C\c2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC001308553067 1050007053 /nfs/dbraw/zinc/00/70/53/1050007053.db2.gz YUGHPLDLTAFJBK-MWWKQMNYSA-N 0 3 388.533 3.529 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccn1C1CC1 ZINC001327946826 1050332239 /nfs/dbraw/zinc/33/22/39/1050332239.db2.gz VAQHDGFEWCDUMX-UHFFFAOYSA-N 0 3 379.426 3.968 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](c2ccccc2)C2CC2)N(C)C)cc1 ZINC001311443883 1052153425 /nfs/dbraw/zinc/15/34/25/1052153425.db2.gz GVDYWYTWLJJQOA-FCHUYYIVSA-N 0 3 380.536 3.806 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001311446459 1052156721 /nfs/dbraw/zinc/15/67/21/1052156721.db2.gz DZDQOGZMXFWNPL-REWPJTCUSA-N 0 3 394.563 3.775 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cc1 ZINC001312356133 1052709586 /nfs/dbraw/zinc/70/95/86/1052709586.db2.gz ZKQUVAQYUUVURL-NHCUHLMSSA-N 0 3 386.515 3.945 20 10 GHCDHN CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001312574279 1052796651 /nfs/dbraw/zinc/79/66/51/1052796651.db2.gz MDNRHRLKZMSTAY-HXUWFJFHSA-N 0 3 385.483 3.631 20 10 GHCDHN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001312574279 1052796657 /nfs/dbraw/zinc/79/66/57/1052796657.db2.gz MDNRHRLKZMSTAY-HXUWFJFHSA-N 0 3 385.483 3.631 20 10 GHCDHN Cn1cc(N2CC[C@@H]([NH2+][C@@H](CCc3ccccc3)c3ccccc3[O-])C2)cn1 ZINC001324239073 1057095191 /nfs/dbraw/zinc/09/51/91/1057095191.db2.gz BHGJEMLMQBJQMG-KNQAVFIVSA-N 0 3 376.504 3.668 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1[O-] ZINC000848530537 1057153575 /nfs/dbraw/zinc/15/35/75/1057153575.db2.gz ALCCRWRYOPUTPS-WBMJQRKESA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)c1[O-] ZINC000848550362 1057171261 /nfs/dbraw/zinc/17/12/61/1057171261.db2.gz KJLWHVAEZUWJFG-VXGBXAGGSA-N 0 3 378.266 3.990 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000848550063 1057171752 /nfs/dbraw/zinc/17/17/52/1057171752.db2.gz BIELWDWARBEDCN-PRXAMGSTSA-N 0 3 380.282 3.936 20 10 GHCDHN COCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](C)c1ccccc1 ZINC001324724950 1057212841 /nfs/dbraw/zinc/21/28/41/1057212841.db2.gz JNRREVVLHRBENO-LJQANCHMSA-N 0 3 385.527 3.787 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1[O-] ZINC001339285762 1059069419 /nfs/dbraw/zinc/06/94/19/1059069419.db2.gz DWSMYZVOOZMMMD-HIFRSBDPSA-N 0 3 386.330 3.539 20 10 GHCDHN Cc1cc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC001452740411 1060998246 /nfs/dbraw/zinc/99/82/46/1060998246.db2.gz ZXOAUGYJHPXDMS-XMMPIXPASA-N 0 3 388.515 3.884 20 10 GHCDHN COc1ccc(C(C)(C)NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1F ZINC001351619406 1064534764 /nfs/dbraw/zinc/53/47/64/1064534764.db2.gz MDJGBLQPFBHZII-UHFFFAOYSA-N 0 3 389.490 3.750 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001468743548 1067857358 /nfs/dbraw/zinc/85/73/58/1067857358.db2.gz HYVUETQALLLUAF-GCJKJVERSA-N 0 3 380.536 3.523 20 10 GHCDHN C=Cc1ccc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001470263672 1068653109 /nfs/dbraw/zinc/65/31/09/1068653109.db2.gz PFBDGGJFIQGABF-JOCHJYFZSA-N 0 3 380.536 3.540 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)c(C)n1-c1ccccn1 ZINC001470711460 1072697842 /nfs/dbraw/zinc/69/78/42/1072697842.db2.gz NXUQFHZDWVFCIH-OAQYLSRUSA-N 0 3 388.515 3.802 20 10 GHCDHN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1[O-] ZINC001473807136 1074153131 /nfs/dbraw/zinc/15/31/31/1074153131.db2.gz JIKUTMZEVASFSV-QUCCMNQESA-N 0 3 382.479 3.688 20 10 GHCDHN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1[O-] ZINC001473807136 1074153135 /nfs/dbraw/zinc/15/31/35/1074153135.db2.gz JIKUTMZEVASFSV-QUCCMNQESA-N 0 3 382.479 3.688 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)N(C)C)cc1 ZINC001479533460 1079224129 /nfs/dbraw/zinc/22/41/29/1079224129.db2.gz IESHMYRDXVMQGV-RTWAWAEBSA-N 0 3 384.499 3.651 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)N(C)C)cc1 ZINC001479533459 1079224280 /nfs/dbraw/zinc/22/42/80/1079224280.db2.gz IESHMYRDXVMQGV-NHCUHLMSSA-N 0 3 384.499 3.651 20 10 GHCDHN CCCC(=O)Nc1ccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001473936384 1074211305 /nfs/dbraw/zinc/21/13/05/1074211305.db2.gz SXDHRWVHSPTBCH-UHFFFAOYSA-N 0 3 398.526 3.606 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3c(Cl)n[nH]c3C3CC3)cc2F)CC1 ZINC001473982915 1074225545 /nfs/dbraw/zinc/22/55/45/1074225545.db2.gz LWEZMSNZNXFZHY-UHFFFAOYSA-N 0 3 391.922 3.511 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)C(=O)NC(C)(C)C ZINC001473987509 1074227045 /nfs/dbraw/zinc/22/70/45/1074227045.db2.gz ZOHQIMIFXICJAP-AWEZNQCLSA-N 0 3 396.373 3.832 20 10 GHCDHN CCOC(=O)[C@@](C)(CNCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC001474448047 1074410952 /nfs/dbraw/zinc/41/09/52/1074410952.db2.gz BMDCVOPAQROJKO-NRFANRHFSA-N 0 3 376.447 3.641 20 10 GHCDHN Cc1cc([O-])c(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515449 1074443705 /nfs/dbraw/zinc/44/37/05/1074443705.db2.gz UHXZFHVFDHLMNN-FQEVSTJZSA-N 0 3 399.966 3.746 20 10 GHCDHN Cc1cc([O-])c(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515449 1074443709 /nfs/dbraw/zinc/44/37/09/1074443709.db2.gz UHXZFHVFDHLMNN-FQEVSTJZSA-N 0 3 399.966 3.746 20 10 GHCDHN COc1c(C)ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC001475934184 1075052424 /nfs/dbraw/zinc/05/24/24/1075052424.db2.gz XZJUNOYSVJCVRF-HXUWFJFHSA-N 0 3 384.524 3.802 20 10 GHCDHN COCCOc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000162999439 837480904 /nfs/dbraw/zinc/48/09/04/837480904.db2.gz WFEQLBCOMSEUJY-KRWDZBQOSA-N 0 3 388.483 3.538 20 10 GHCDHN CCOc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC000153837352 834355609 /nfs/dbraw/zinc/35/56/09/834355609.db2.gz LOEJFOTZPKOQRZ-MRXNPFEDSA-N 0 3 388.483 3.920 20 10 GHCDHN CC[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162029293 835591300 /nfs/dbraw/zinc/59/13/00/835591300.db2.gz LWRZLSVXNWDGBY-HSZRJFAPSA-N 0 3 397.563 3.705 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000274897692 835787427 /nfs/dbraw/zinc/78/74/27/835787427.db2.gz KPRMGWWIRKOYSX-YQVWRLOYSA-N 0 3 397.357 3.573 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2Br)N(C)C)cc1 ZINC000891246204 839306408 /nfs/dbraw/zinc/30/64/08/839306408.db2.gz ABOOVFNMPJKADH-OAHLLOKOSA-N 0 3 396.354 3.609 20 10 GHCDHN [O-]c1ccccc1C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000238102747 844006388 /nfs/dbraw/zinc/00/63/88/844006388.db2.gz XUKROTLUGKDECK-SFHVURJKSA-N 0 3 380.410 3.574 20 10 GHCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCC(c2ccccc2)=N1 ZINC000731848135 861905775 /nfs/dbraw/zinc/90/57/75/861905775.db2.gz UEFIDYNHJRELFQ-UHFFFAOYSA-N 0 3 377.488 3.773 20 10 GHCDHN COc1ccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c(OC)c1 ZINC000731847149 861905904 /nfs/dbraw/zinc/90/59/04/861905904.db2.gz FGTKWOZMRAVOBM-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(OC)c1 ZINC000731847149 861905923 /nfs/dbraw/zinc/90/59/23/861905923.db2.gz FGTKWOZMRAVOBM-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(OC)c1 ZINC000731847149 861905933 /nfs/dbraw/zinc/90/59/33/861905933.db2.gz FGTKWOZMRAVOBM-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COCc1cccc(CNC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204132 862146313 /nfs/dbraw/zinc/14/63/13/862146313.db2.gz DMWLYKVIFWJXOI-UHFFFAOYSA-N 0 3 382.504 3.600 20 10 GHCDHN COCc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204132 862146322 /nfs/dbraw/zinc/14/63/22/862146322.db2.gz DMWLYKVIFWJXOI-UHFFFAOYSA-N 0 3 382.504 3.600 20 10 GHCDHN CCOc1ccc(O)c(CNCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000732227896 862159135 /nfs/dbraw/zinc/15/91/35/862159135.db2.gz GUOAAWDUAMJQMJ-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(Br)cc2NC(C)=O)c1 ZINC000894502302 851557752 /nfs/dbraw/zinc/55/77/52/851557752.db2.gz PJVHNQAPSNOHED-LLVKDONJSA-N 0 3 393.281 3.973 20 10 GHCDHN CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000828035098 862436125 /nfs/dbraw/zinc/43/61/25/862436125.db2.gz AKIVNVAJAFBUOO-UHFFFAOYSA-N 0 3 379.460 3.596 20 10 GHCDHN CCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(O)c1 ZINC000765811528 855018725 /nfs/dbraw/zinc/01/87/25/855018725.db2.gz YTEHEODNUSKDLD-SFTDATJTSA-N 0 3 390.911 3.606 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071535 855389113 /nfs/dbraw/zinc/38/91/13/855389113.db2.gz RDXKPZREZXXIOZ-UHFFFAOYSA-N 0 3 375.472 3.846 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071535 855389122 /nfs/dbraw/zinc/38/91/22/855389122.db2.gz RDXKPZREZXXIOZ-UHFFFAOYSA-N 0 3 375.472 3.846 20 10 GHCDHN CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1OCC(=O)N1CCCC1 ZINC000054175976 855565601 /nfs/dbraw/zinc/56/56/01/855565601.db2.gz WBCSGJNPNBSNQA-OAQYLSRUSA-N 0 3 394.515 3.864 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@]12CCCO2 ZINC000761218856 859391611 /nfs/dbraw/zinc/39/16/11/859391611.db2.gz KZIODLWOCDHCMW-YTFSRNRJSA-N 0 3 383.488 3.787 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000765431100 859971392 /nfs/dbraw/zinc/97/13/92/859971392.db2.gz FIJMYGYBUWJJDD-HZPDHXFCSA-N 0 3 375.538 3.926 20 10 GHCDHN O=C(NC[C@H]1CCCCN1C1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000765664741 860385417 /nfs/dbraw/zinc/38/54/17/860385417.db2.gz VXQVAEJWSGVLPZ-LJQANCHMSA-N 0 3 383.492 3.714 20 10 GHCDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000172310238 863437929 /nfs/dbraw/zinc/43/79/29/863437929.db2.gz SBSWYBHDFRDTSG-UHFFFAOYSA-N 0 3 394.563 3.869 20 10 GHCDHN Cc1ccccc1C[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000734211871 864085548 /nfs/dbraw/zinc/08/55/48/864085548.db2.gz YZHJYXPXDHXXRI-QHCPKHFHSA-N 0 3 379.548 3.727 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000792840662 881748138 /nfs/dbraw/zinc/74/81/38/881748138.db2.gz JFBKFRHTSNEAID-MJGOQNOKSA-N 0 3 396.457 3.593 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1cc3ccccc3s1)cc2=O ZINC000184355672 864382177 /nfs/dbraw/zinc/38/21/77/864382177.db2.gz ZVPQMLWVYMBTSB-LBPRGKRZSA-N 0 3 396.472 3.677 20 10 GHCDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000303253550 866132787 /nfs/dbraw/zinc/13/27/87/866132787.db2.gz COMKBBODPONGAZ-LJQANCHMSA-N 0 3 389.927 3.588 20 10 GHCDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000183094049 866220290 /nfs/dbraw/zinc/22/02/90/866220290.db2.gz RARZJIKWCPRIGQ-XZOQPEGZSA-N 0 3 397.515 3.723 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C2(c3ccccc3)CCOCC2)c1[O-] ZINC000742373167 867266986 /nfs/dbraw/zinc/26/69/86/867266986.db2.gz QVAVDZNFTJKBKJ-UHFFFAOYSA-N 0 3 392.293 3.959 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793297828 882075246 /nfs/dbraw/zinc/07/52/46/882075246.db2.gz RKBAJBLUBSJYDL-SFHVURJKSA-N 0 3 384.476 3.539 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793297828 882075261 /nfs/dbraw/zinc/07/52/61/882075261.db2.gz RKBAJBLUBSJYDL-SFHVURJKSA-N 0 3 384.476 3.539 20 10 GHCDHN Cc1ccc(N2CCC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000743474974 868223270 /nfs/dbraw/zinc/22/32/70/868223270.db2.gz WSBCXCWPXGYYFY-WMZHIEFXSA-N 0 3 393.531 3.678 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000743716931 868382165 /nfs/dbraw/zinc/38/21/65/868382165.db2.gz AXHVSBBUQWBFMP-IBGZPJMESA-N 0 3 396.506 3.939 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746423791 870651802 /nfs/dbraw/zinc/65/18/02/870651802.db2.gz XQWLJMFKCOUEMK-QHCPKHFHSA-N 0 3 394.563 3.867 20 10 GHCDHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(-c4ccccc4)ccc3[O-])C2)n(C)n1 ZINC000767737503 872797762 /nfs/dbraw/zinc/79/77/62/872797762.db2.gz CMYXXUKOTCWGKO-NRFANRHFSA-N 0 3 376.504 3.860 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715132 873094740 /nfs/dbraw/zinc/09/47/40/873094740.db2.gz CLKTXAQGTKIOEA-JPYJTQIMSA-N 0 3 383.511 3.540 20 10 GHCDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768337695 873243918 /nfs/dbraw/zinc/24/39/18/873243918.db2.gz LCWCPLAPJQKEQR-UHFFFAOYSA-N 0 3 387.455 3.981 20 10 GHCDHN CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443183 873307494 /nfs/dbraw/zinc/30/74/94/873307494.db2.gz QTZHWFLRRZKIGY-SFHVURJKSA-N 0 3 392.293 3.991 20 10 GHCDHN CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443183 873307509 /nfs/dbraw/zinc/30/75/09/873307509.db2.gz QTZHWFLRRZKIGY-SFHVURJKSA-N 0 3 392.293 3.991 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2F)N(C)C)cc1 ZINC001196788972 873360848 /nfs/dbraw/zinc/36/08/48/873360848.db2.gz XHYBPFUEHBELQZ-QGZVFWFLSA-N 0 3 378.879 3.970 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000768949066 873708035 /nfs/dbraw/zinc/70/80/35/873708035.db2.gz CKQNYHGFFYNXHZ-UWJYYQICSA-N 0 3 399.535 3.918 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000769025614 873748368 /nfs/dbraw/zinc/74/83/68/873748368.db2.gz XOVZYSNSHFLEGE-SFHVURJKSA-N 0 3 392.293 3.909 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000769025614 873748374 /nfs/dbraw/zinc/74/83/74/873748374.db2.gz XOVZYSNSHFLEGE-SFHVURJKSA-N 0 3 392.293 3.909 20 10 GHCDHN COc1cc(Br)cc(CN2CCC(c3ccccn3)CC2)c1O ZINC000769104737 873842089 /nfs/dbraw/zinc/84/20/89/873842089.db2.gz JVFOFDRVORMBCD-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c([O-])c1 ZINC000769224073 873903320 /nfs/dbraw/zinc/90/33/20/873903320.db2.gz UMKWYOBNASXGMU-UHFFFAOYSA-N 0 3 378.476 3.956 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c([O-])c1 ZINC000769400654 874021393 /nfs/dbraw/zinc/02/13/93/874021393.db2.gz ZSQYHEWTQPBOMF-UHFFFAOYSA-N 0 3 380.286 3.587 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c([O-])c1 ZINC000769483207 874064985 /nfs/dbraw/zinc/06/49/85/874064985.db2.gz HANRWULDCBUZQR-MAUKXSAKSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c([O-])c1 ZINC000769483207 874065002 /nfs/dbraw/zinc/06/50/02/874065002.db2.gz HANRWULDCBUZQR-MAUKXSAKSA-N 0 3 378.513 3.916 20 10 GHCDHN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775833777 874343755 /nfs/dbraw/zinc/34/37/55/874343755.db2.gz LVTYOJXKNIYOBH-HUUCEWRRSA-N 0 3 375.463 3.901 20 10 GHCDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013676 875130741 /nfs/dbraw/zinc/13/07/41/875130741.db2.gz NAPLIMHSUMALIR-TZIWHRDSSA-N 0 3 399.487 3.514 20 10 GHCDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013676 875130749 /nfs/dbraw/zinc/13/07/49/875130749.db2.gz NAPLIMHSUMALIR-TZIWHRDSSA-N 0 3 399.487 3.514 20 10 GHCDHN Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c(C)n1-c1ccccn1 ZINC000771508123 875303782 /nfs/dbraw/zinc/30/37/82/875303782.db2.gz MLGQDWDJSVSIGO-VGOFRKELSA-N 0 3 376.504 3.910 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1[O-] ZINC000771935107 875558693 /nfs/dbraw/zinc/55/86/93/875558693.db2.gz HUJSVGYLWLVYOF-UHFFFAOYSA-N 0 3 379.298 3.861 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1[O-] ZINC000771935107 875558706 /nfs/dbraw/zinc/55/87/06/875558706.db2.gz HUJSVGYLWLVYOF-UHFFFAOYSA-N 0 3 379.298 3.861 20 10 GHCDHN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000850402875 876883109 /nfs/dbraw/zinc/88/31/09/876883109.db2.gz ZQACKILYTJCKSB-IBGZPJMESA-N 0 3 381.476 3.692 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(Br)s3)cc2)CC1 ZINC000850406277 876888474 /nfs/dbraw/zinc/88/84/74/876888474.db2.gz ZRZVMVZSFHWEOA-UHFFFAOYSA-N 0 3 381.339 3.762 20 10 GHCDHN CS(=O)(=O)CC1(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000850485992 876959665 /nfs/dbraw/zinc/95/96/65/876959665.db2.gz PULKRNJSIZFEAR-FQEVSTJZSA-N 0 3 387.545 3.871 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)c1[O-] ZINC000850526327 876998633 /nfs/dbraw/zinc/99/86/33/876998633.db2.gz PMSSMCAJPYJVMO-HNHYXYPQSA-N 0 3 378.266 3.992 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1[O-] ZINC000850582889 877055797 /nfs/dbraw/zinc/05/57/97/877055797.db2.gz HFFMSBFROWYFTM-JKDFXYPNSA-N 0 3 380.282 3.936 20 10 GHCDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000850682478 877096500 /nfs/dbraw/zinc/09/65/00/877096500.db2.gz QCVAFXHYHNGXPK-LJQANCHMSA-N 0 3 379.464 3.641 20 10 GHCDHN CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000109761714 877424520 /nfs/dbraw/zinc/42/45/20/877424520.db2.gz OTCMTXRWUFWACQ-NRFANRHFSA-N 0 3 396.487 3.605 20 10 GHCDHN CC(=O)c1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000109761714 877424531 /nfs/dbraw/zinc/42/45/31/877424531.db2.gz OTCMTXRWUFWACQ-NRFANRHFSA-N 0 3 396.487 3.605 20 10 GHCDHN CC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000109761714 877424544 /nfs/dbraw/zinc/42/45/44/877424544.db2.gz OTCMTXRWUFWACQ-NRFANRHFSA-N 0 3 396.487 3.605 20 10 GHCDHN CCOc1cccc(CN[C@](C)(CO)c2ccc(Br)cc2)c1O ZINC000285464370 912300079 /nfs/dbraw/zinc/30/00/79/912300079.db2.gz JZSVVVSKVHKRHB-GOSISDBHSA-N 0 3 380.282 3.551 20 10 GHCDHN COc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccn1 ZINC000788543029 878138045 /nfs/dbraw/zinc/13/80/45/878138045.db2.gz RGWDVRQPDNMMLG-AWEZNQCLSA-N 0 3 395.425 3.796 20 10 GHCDHN Cc1nc2cc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)ccc2o1 ZINC000792290549 881016124 /nfs/dbraw/zinc/01/61/24/881016124.db2.gz PPIXZBZUGXFTCR-UHFFFAOYSA-N 0 3 378.476 3.919 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(c4nnc5n4CCCC5)CC3)c2c1 ZINC000774648069 912635568 /nfs/dbraw/zinc/63/55/68/912635568.db2.gz PHGWWWVDDLAGSL-UHFFFAOYSA-N 0 3 392.503 3.861 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c1[O-] ZINC000858539215 883183073 /nfs/dbraw/zinc/18/30/73/883183073.db2.gz AWNCYEDMQRTKCH-NSHDSACASA-N 0 3 391.265 3.759 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000184681746 883374705 /nfs/dbraw/zinc/37/47/05/883374705.db2.gz AYFYUZBDYGSISB-CQSZACIVSA-N 0 3 380.916 3.525 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000747231062 883624109 /nfs/dbraw/zinc/62/41/09/883624109.db2.gz DZTWJNPVLAKUCZ-FGZHOGPDSA-N 0 3 395.547 3.811 20 10 GHCDHN CC(C)(C)OC(=O)N1CC(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000859189745 883647206 /nfs/dbraw/zinc/64/72/06/883647206.db2.gz CJAYVGMTTJKURM-LJQANCHMSA-N 0 3 390.524 3.630 20 10 GHCDHN CC(C)(C)OC(=O)N1CC(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000859189745 883647214 /nfs/dbraw/zinc/64/72/14/883647214.db2.gz CJAYVGMTTJKURM-LJQANCHMSA-N 0 3 390.524 3.630 20 10 GHCDHN CN(Cc1ccccc1O)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000859189176 883647235 /nfs/dbraw/zinc/64/72/35/883647235.db2.gz OGRMRALQQGILKI-MRXNPFEDSA-N 0 3 375.266 3.540 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000859759598 884041773 /nfs/dbraw/zinc/04/17/73/884041773.db2.gz SUIHXQKQHITLPS-UHFFFAOYSA-N 0 3 394.519 3.823 20 10 GHCDHN CCOc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000763431073 884071984 /nfs/dbraw/zinc/07/19/84/884071984.db2.gz ABLVBLBUFHEDLC-SFHVURJKSA-N 0 3 375.900 3.594 20 10 GHCDHN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H](c1ccccc1)N(C)C ZINC000807403179 885430395 /nfs/dbraw/zinc/43/03/95/885430395.db2.gz WATUPDCNNLDZTQ-ZHRRBRCNSA-N 0 3 381.520 3.762 20 10 GHCDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)cc(OC)c1OCC(F)F ZINC000808384774 886316789 /nfs/dbraw/zinc/31/67/89/886316789.db2.gz KBGGICQMRYFTHF-UHFFFAOYSA-N 0 3 398.425 3.843 20 10 GHCDHN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000777269073 886503178 /nfs/dbraw/zinc/50/31/78/886503178.db2.gz HHKBLDIXBRXINI-XLIONFOSSA-N 0 3 393.547 3.644 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000809771475 887761833 /nfs/dbraw/zinc/76/18/33/887761833.db2.gz MRELGGDLSNQXSM-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000809771475 887761849 /nfs/dbraw/zinc/76/18/49/887761849.db2.gz MRELGGDLSNQXSM-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN CNC(=O)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccccc1 ZINC000796036761 913193409 /nfs/dbraw/zinc/19/34/09/913193409.db2.gz NGZGNIRESWPGOI-JOCHJYFZSA-N 0 3 390.483 3.938 20 10 GHCDHN CCOCc1cc(CNCc2ccc(C(=O)N3CCCC3)cc2)ccc1OC ZINC000747853714 891583614 /nfs/dbraw/zinc/58/36/14/891583614.db2.gz CIAJXDYXHDSIGF-UHFFFAOYSA-N 0 3 382.504 3.758 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC000814177101 892333397 /nfs/dbraw/zinc/33/33/97/892333397.db2.gz XRGIPOUDXQEGPA-WMZOPIPTSA-N 0 3 377.504 3.723 20 10 GHCDHN O=C(NC[C@H]1CCN1C1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000875874069 892851239 /nfs/dbraw/zinc/85/12/39/892851239.db2.gz YVVVJRHFJOJCQO-LJQANCHMSA-N 0 3 383.492 3.714 20 10 GHCDHN CCc1nc(C(C)C)ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686678 893201076 /nfs/dbraw/zinc/20/10/76/893201076.db2.gz RRKXGDNLXLQUSX-JOCHJYFZSA-N 0 3 382.552 3.866 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(c3ccccc3)CC2(C)C)N(C)C)cc1 ZINC001134686860 893201388 /nfs/dbraw/zinc/20/13/88/893201388.db2.gz YLGAAYZJWVLSEN-ZJSXRUAMSA-N 0 3 379.548 3.839 20 10 GHCDHN Cc1onc(-c2cccs2)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686768 893201533 /nfs/dbraw/zinc/20/15/33/893201533.db2.gz WDSPZKKLBYAWRN-KRWDZBQOSA-N 0 3 398.532 3.810 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(OC(C)(C)C)c2)N(C)C)cc1 ZINC001134686855 893201561 /nfs/dbraw/zinc/20/15/61/893201561.db2.gz YJSZRTSIFOVMDH-NRFANRHFSA-N 0 3 383.536 3.963 20 10 GHCDHN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134682067 893219610 /nfs/dbraw/zinc/21/96/10/893219610.db2.gz RZEJZNKMTCYXBL-MGPUTAFESA-N 0 3 389.927 3.592 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(OC4CCCC4)nc3)cc2)CC1 ZINC000876941276 893396005 /nfs/dbraw/zinc/39/60/05/893396005.db2.gz CWXNPKPJRGPCEF-UHFFFAOYSA-N 0 3 381.520 3.654 20 10 GHCDHN CN(C)CCN(C(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000815149547 893522583 /nfs/dbraw/zinc/52/25/83/893522583.db2.gz QUSXMHXCHNDUQC-UHFFFAOYSA-N 0 3 387.524 3.539 20 10 GHCDHN CC(C)OC(=O)C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877530189 893669078 /nfs/dbraw/zinc/66/90/78/893669078.db2.gz FIEVDJUPAJWNBS-QHCPKHFHSA-N 0 3 396.531 3.820 20 10 GHCDHN COc1cc(Cl)cc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1O ZINC000877663966 893751851 /nfs/dbraw/zinc/75/18/51/893751851.db2.gz ISRLBYKXNCQPNM-CQSZACIVSA-N 0 3 375.774 3.896 20 10 GHCDHN CC(C)[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000815558041 893996422 /nfs/dbraw/zinc/99/64/22/893996422.db2.gz OCHHMNIIHPVYCB-BJKOFHAPSA-N 0 3 395.591 3.928 20 10 GHCDHN Cc1cc(Br)cc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1[O-] ZINC000816624701 894954852 /nfs/dbraw/zinc/95/48/52/894954852.db2.gz DWBOBJZBDQAUSY-UHFFFAOYSA-N 0 3 390.321 3.989 20 10 GHCDHN Cc1cc(CNC(=O)CC2(N3CCOCC3)CCCC2)c(C)n1-c1ccccc1 ZINC001170857736 895408194 /nfs/dbraw/zinc/40/81/94/895408194.db2.gz KWOXVVKWHLWJMF-UHFFFAOYSA-N 0 3 395.547 3.745 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3nccn3Cc3ccccc3)C2)cc1 ZINC000818221019 896085019 /nfs/dbraw/zinc/08/50/19/896085019.db2.gz KMVFHAVDNHUKIA-FQEVSTJZSA-N 0 3 376.504 3.556 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(N3CCNC3=O)cc2)c(C(F)(F)F)c1 ZINC000883281284 897440530 /nfs/dbraw/zinc/44/05/30/897440530.db2.gz HGSVXBXTSXTQIB-UHFFFAOYSA-N 0 3 392.425 3.591 20 10 GHCDHN CN1CCN(c2ccc(CNCc3csc(-c4ccsc4)n3)cc2)CC1 ZINC000883283663 897444350 /nfs/dbraw/zinc/44/43/50/897444350.db2.gz NOAYTBFWRQKDFL-UHFFFAOYSA-N 0 3 384.574 3.913 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000823701976 899195880 /nfs/dbraw/zinc/19/58/80/899195880.db2.gz JWROIYHMAYFFMP-OAQYLSRUSA-N 0 3 396.560 3.741 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CCCO1 ZINC000824508779 899679213 /nfs/dbraw/zinc/67/92/13/899679213.db2.gz UIIFLESQVGDELJ-FCHUYYIVSA-N 0 3 383.488 3.741 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CCCO1 ZINC000824508779 899679217 /nfs/dbraw/zinc/67/92/17/899679217.db2.gz UIIFLESQVGDELJ-FCHUYYIVSA-N 0 3 383.488 3.741 20 10 GHCDHN CCOc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000137266464 900846739 /nfs/dbraw/zinc/84/67/39/900846739.db2.gz WWHRTOAOVFIIAQ-IBGZPJMESA-N 0 3 398.503 3.801 20 10 GHCDHN CCOc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000137266464 900846740 /nfs/dbraw/zinc/84/67/40/900846740.db2.gz WWHRTOAOVFIIAQ-IBGZPJMESA-N 0 3 398.503 3.801 20 10 GHCDHN COc1ccc(Cl)c2c1CCC[C@H]2N(C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844750556 901229214 /nfs/dbraw/zinc/22/92/14/901229214.db2.gz PXNXVEUTNYKMJP-AEFFLSMTSA-N 0 3 389.879 3.989 20 10 GHCDHN COc1cc(C)ccc1[C@@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746764 901249669 /nfs/dbraw/zinc/24/96/69/901249669.db2.gz BLDOUSNPLZZCGP-QGZVFWFLSA-N 0 3 381.520 3.556 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1csc(Cl)c1 ZINC000886749144 901253949 /nfs/dbraw/zinc/25/39/49/901253949.db2.gz KLZCHDGRGBWGDJ-ZDUSSCGKSA-N 0 3 377.941 3.954 20 10 GHCDHN CCC[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(C)ccn1 ZINC000886750948 901254979 /nfs/dbraw/zinc/25/49/79/901254979.db2.gz DBGHYYMNQZDDBW-OAQYLSRUSA-N 0 3 380.536 3.723 20 10 GHCDHN CN(C)Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000047505695 902090590 /nfs/dbraw/zinc/09/05/90/902090590.db2.gz MMFHKPPBFCAUON-FQEVSTJZSA-N 0 3 383.492 3.667 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1[O-] ZINC000779004462 902729234 /nfs/dbraw/zinc/72/92/34/902729234.db2.gz XFDWTXPDMLJQFP-CYBMUJFWSA-N 0 3 378.314 3.889 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1[O-] ZINC000779010628 902775386 /nfs/dbraw/zinc/77/53/86/902775386.db2.gz FNWONUGVCIROLU-CYBMUJFWSA-N 0 3 383.330 3.953 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1[O-] ZINC000779013463 902803164 /nfs/dbraw/zinc/80/31/64/902803164.db2.gz RDUTYJRDKPGDSJ-LBPRGKRZSA-N 0 3 395.272 3.683 20 10 GHCDHN C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773166278 904513922 /nfs/dbraw/zinc/51/39/22/904513922.db2.gz WHBIEAWXUHNESV-PGRDOPGGSA-N 0 3 380.536 3.950 20 10 GHCDHN COCCCOCC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000773270210 904645623 /nfs/dbraw/zinc/64/56/23/904645623.db2.gz CKLPSFVMSXSFMK-UHFFFAOYSA-N 0 3 382.298 3.793 20 10 GHCDHN COCCCOCC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000773270210 904645631 /nfs/dbraw/zinc/64/56/31/904645631.db2.gz CKLPSFVMSXSFMK-UHFFFAOYSA-N 0 3 382.298 3.793 20 10 GHCDHN COCCOc1ccc(N2CCN([C@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171443149 904682904 /nfs/dbraw/zinc/68/29/04/904682904.db2.gz XVPCKZXTEOXSRI-FQEVSTJZSA-N 0 3 384.495 3.530 20 10 GHCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000779195997 905309702 /nfs/dbraw/zinc/30/97/02/905309702.db2.gz MQTGTHSUKSXUBY-MRXNPFEDSA-N 0 3 378.394 3.560 20 10 GHCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000779195997 905309714 /nfs/dbraw/zinc/30/97/14/905309714.db2.gz MQTGTHSUKSXUBY-MRXNPFEDSA-N 0 3 378.394 3.560 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000179782048 906597299 /nfs/dbraw/zinc/59/72/99/906597299.db2.gz QJTZGAGKYUHSMV-UHFFFAOYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(O)c1 ZINC000185146517 907722009 /nfs/dbraw/zinc/72/20/09/907722009.db2.gz XPXUVQGEBSBDOE-OAHLLOKOSA-N 0 3 376.522 3.628 20 10 GHCDHN COc1ccc(C(=O)c2ccccc2Nc2cnn(CCN3CCCC3)c2)cc1 ZINC001176561401 908176480 /nfs/dbraw/zinc/17/64/80/908176480.db2.gz MTSKKWVTIMWAEG-UHFFFAOYSA-N 0 3 390.487 3.962 20 10 GHCDHN Cc1ccc2cc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2n1 ZINC000189278316 908303033 /nfs/dbraw/zinc/30/30/33/908303033.db2.gz XWEUCMOHZYPIAN-UHFFFAOYSA-N 0 3 379.479 3.933 20 10 GHCDHN COc1cc(C)cc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1O ZINC001180325875 910100090 /nfs/dbraw/zinc/10/00/90/910100090.db2.gz CRJVWOLZEDZEGM-MRXNPFEDSA-N 0 3 395.286 3.911 20 10 GHCDHN COc1cc(C)c(C[NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c([O-])c1 ZINC001181912541 911072893 /nfs/dbraw/zinc/07/28/93/911072893.db2.gz FPGRPXUJIAGISY-OAHLLOKOSA-N 0 3 399.441 3.956 20 10 GHCDHN COc1cc(C)c(C[NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c([O-])c1 ZINC001181912540 911073718 /nfs/dbraw/zinc/07/37/18/911073718.db2.gz FPGRPXUJIAGISY-HNNXBMFYSA-N 0 3 399.441 3.956 20 10 GHCDHN COc1cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC001182086516 911155897 /nfs/dbraw/zinc/15/58/97/911155897.db2.gz JJKMJMQCIKOYFK-NZQKXSOJSA-N 0 3 387.495 3.998 20 10 GHCDHN COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCO2)c1 ZINC000092511366 911586557 /nfs/dbraw/zinc/58/65/57/911586557.db2.gz DKFPEMCJJFALLK-XMMPIXPASA-N 0 3 396.531 3.713 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000774482104 911787217 /nfs/dbraw/zinc/78/72/17/911787217.db2.gz GBWQPYQZOQQRNR-IAGOWNOFSA-N 0 3 378.520 3.632 20 10 GHCDHN C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC001182773893 912040715 /nfs/dbraw/zinc/04/07/15/912040715.db2.gz VWAJDJHXHGHYQK-LJQANCHMSA-N 0 3 389.337 3.904 20 10 GHCDHN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC001182773893 912040739 /nfs/dbraw/zinc/04/07/39/912040739.db2.gz VWAJDJHXHGHYQK-LJQANCHMSA-N 0 3 389.337 3.904 20 10 GHCDHN C[C@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258940 916687441 /nfs/dbraw/zinc/68/74/41/916687441.db2.gz CIPPBEQDMLJKFX-MOPGFXCFSA-N 0 3 393.531 3.542 20 10 GHCDHN CCC[C@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775260103 916706477 /nfs/dbraw/zinc/70/64/77/916706477.db2.gz NAWZRDQIBJVVLI-CVDCTZTESA-N 0 3 395.547 3.831 20 10 GHCDHN CCOc1ccc(O)c(CN[C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000796470887 917575748 /nfs/dbraw/zinc/57/57/48/917575748.db2.gz NAIBRTRKYPNUJH-GOSISDBHSA-N 0 3 380.282 3.551 20 10 GHCDHN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000116396625 919505935 /nfs/dbraw/zinc/50/59/35/919505935.db2.gz USKKYWGPRMWULS-QFIPXVFZSA-N 0 3 392.547 3.600 20 10 GHCDHN CCOc1cccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)c1O ZINC000367048479 921892424 /nfs/dbraw/zinc/89/24/24/921892424.db2.gz VOHDSGYRVJMVSM-HXUWFJFHSA-N 0 3 397.519 3.569 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000753544188 929401501 /nfs/dbraw/zinc/40/15/01/929401501.db2.gz UZVGIYYAUCXHBG-HKUYNNGSSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000753544188 929401511 /nfs/dbraw/zinc/40/15/11/929401511.db2.gz UZVGIYYAUCXHBG-HKUYNNGSSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000753544188 929401516 /nfs/dbraw/zinc/40/15/16/929401516.db2.gz UZVGIYYAUCXHBG-HKUYNNGSSA-N 0 3 381.394 3.859 20 10 GHCDHN CCCN(CCC)c1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000757692842 929773670 /nfs/dbraw/zinc/77/36/70/929773670.db2.gz IGVXQGDAJGVYCQ-UHFFFAOYSA-N 0 3 386.561 3.933 20 10 GHCDHN c1cc(N2CCOCC2)ccc1CN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000780780887 930597663 /nfs/dbraw/zinc/59/76/63/930597663.db2.gz DALWIFRCWNVLCT-UHFFFAOYSA-N 0 3 392.499 3.584 20 10 GHCDHN COC[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000783969838 931734431 /nfs/dbraw/zinc/73/44/31/931734431.db2.gz YBFGSZKHSPQAAY-SWLSCSKDSA-N 0 3 380.282 3.544 20 10 GHCDHN COC[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000783969838 931734436 /nfs/dbraw/zinc/73/44/36/931734436.db2.gz YBFGSZKHSPQAAY-SWLSCSKDSA-N 0 3 380.282 3.544 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)s1 ZINC000797138993 932198740 /nfs/dbraw/zinc/19/87/40/932198740.db2.gz CFJUKAOHVCGYTB-NOHGZBONSA-N 0 3 392.500 3.746 20 10 GHCDHN CCOC(=O)Oc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC000799987766 933202396 /nfs/dbraw/zinc/20/23/96/933202396.db2.gz KSFFVUQQEWVHAP-UHFFFAOYSA-N 0 3 397.475 3.616 20 10 GHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929972751 933737192 /nfs/dbraw/zinc/73/71/92/933737192.db2.gz USZVFHIXPSLENP-REWPJTCUSA-N 0 3 381.472 3.862 20 10 GHCDHN C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)N(C)Cc1ccccc1 ZINC000829211844 935780232 /nfs/dbraw/zinc/78/02/32/935780232.db2.gz HHLPRXRRPPXLSA-MRXNPFEDSA-N 0 3 394.544 3.566 20 10 GHCDHN CN(C)Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c2c1OC(F)(F)O2 ZINC001204144926 1032600667 /nfs/dbraw/zinc/60/06/67/1032600667.db2.gz LBRUWBSBYMZYRR-UHFFFAOYSA-N 0 3 391.462 3.768 20 10 GHCDHN COC(=O)C[C@H]1CSCCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001204238267 1032683401 /nfs/dbraw/zinc/68/34/01/1032683401.db2.gz QAFDPGPRTZNYMO-SFHVURJKSA-N 0 3 390.574 3.865 20 10 GHCDHN CN(C)c1ccc(CN2CCN(Cc3ccccc3)[C@H](CO)C2)c2ccccc21 ZINC001204234050 1032679981 /nfs/dbraw/zinc/67/99/81/1032679981.db2.gz WGXLHCNWSJJBNM-QFIPXVFZSA-N 0 3 389.543 3.585 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1 ZINC001204276837 1032716520 /nfs/dbraw/zinc/71/65/20/1032716520.db2.gz SAKBIRUXKHIRFF-UHFFFAOYSA-N 0 3 376.497 3.711 20 10 GHCDHN O=C1Cc2ccccc2N1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327539 1032769959 /nfs/dbraw/zinc/76/99/59/1032769959.db2.gz YCCWTOOFYHMZAV-UHFFFAOYSA-N 0 3 375.516 3.841 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1[O-] ZINC001204339058 1032781507 /nfs/dbraw/zinc/78/15/07/1032781507.db2.gz TXDKLXCWTGAPLC-INIZCTEOSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1[O-] ZINC001204339058 1032781522 /nfs/dbraw/zinc/78/15/22/1032781522.db2.gz TXDKLXCWTGAPLC-INIZCTEOSA-N 0 3 377.282 3.765 20 10 GHCDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834555041 1021269318 /nfs/dbraw/zinc/26/93/18/1021269318.db2.gz KQXXJVSRGSMRKW-OXJNMPFZSA-N 0 3 379.504 3.987 20 10 GHCDHN C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O[C@H]2CCN(C)C2)c1 ZINC001228524073 1032970797 /nfs/dbraw/zinc/97/07/97/1032970797.db2.gz YCIBAIWENNPSTQ-GJYPPUQNSA-N 0 3 385.504 3.944 20 10 GHCDHN Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCc4cccc([O-])c43)nc12 ZINC000834764920 1021453959 /nfs/dbraw/zinc/45/39/59/1021453959.db2.gz JBMPBVCGVMWNKC-INIZCTEOSA-N 0 3 386.293 3.930 20 10 GHCDHN CC(C)(CO)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000835058819 1021827545 /nfs/dbraw/zinc/82/75/45/1021827545.db2.gz UNXSQPKUGNPLNC-IBGZPJMESA-N 0 3 378.513 3.573 20 10 GHCDHN Cc1ccc(O)c(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001140623970 1022097839 /nfs/dbraw/zinc/09/78/39/1022097839.db2.gz ZMJOPFNXFPWUHK-UHFFFAOYSA-N 0 3 380.410 3.917 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000754832641 1022920440 /nfs/dbraw/zinc/92/04/40/1022920440.db2.gz INBRICCJVQHPAQ-FXAWDEMLSA-N 0 3 392.858 3.645 20 10 GHCDHN Cc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)c(O)c1 ZINC001140949869 1022970250 /nfs/dbraw/zinc/97/02/50/1022970250.db2.gz OBDBJYWJLZWOOR-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949998 1022971310 /nfs/dbraw/zinc/97/13/10/1022971310.db2.gz QCJOBKAGPAJWFW-UNMCSNQZSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949998 1022971313 /nfs/dbraw/zinc/97/13/13/1022971313.db2.gz QCJOBKAGPAJWFW-UNMCSNQZSA-N 0 3 386.467 3.685 20 10 GHCDHN Fc1cccn2cc(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)nc12 ZINC000756025487 1023483547 /nfs/dbraw/zinc/48/35/47/1023483547.db2.gz XDWCQCBTMTZPPB-UHFFFAOYSA-N 0 3 390.409 3.833 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756351370 1023602121 /nfs/dbraw/zinc/60/21/21/1023602121.db2.gz JBWVXGXAHLFAEK-MDASCCDHSA-N 0 3 388.458 3.882 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000756462082 1023663608 /nfs/dbraw/zinc/66/36/08/1023663608.db2.gz YQAUMOCRAIUEHO-FZKQIMNGSA-N 0 3 388.458 3.970 20 10 GHCDHN COc1cc(OC)c(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000756554296 1023711748 /nfs/dbraw/zinc/71/17/48/1023711748.db2.gz ORXGITHFEDGSPF-BLLLJJGKSA-N 0 3 375.440 3.938 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000756611274 1023736870 /nfs/dbraw/zinc/73/68/70/1023736870.db2.gz UXGSIZANNAMCDF-YVEFUNNKSA-N 0 3 394.393 3.979 20 10 GHCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c([O-])ccc4F)C2)c1 ZINC000756639027 1023748511 /nfs/dbraw/zinc/74/85/11/1023748511.db2.gz UZZFFOZHWOCAIU-CKFHNAJUSA-N 0 3 386.467 3.965 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756678148 1023770844 /nfs/dbraw/zinc/77/08/44/1023770844.db2.gz UWPFQXXHJJSAQS-ZETOZRRWSA-N 0 3 376.378 3.753 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756678142 1023770856 /nfs/dbraw/zinc/77/08/56/1023770856.db2.gz UWPFQXXHJJSAQS-UEKVPHQBSA-N 0 3 376.378 3.753 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000756763250 1023804543 /nfs/dbraw/zinc/80/45/43/1023804543.db2.gz VULJBPTUEZYHBH-TZMCWYRMSA-N 0 3 387.373 3.932 20 10 GHCDHN Oc1ccc(O)c(CN2CCC(Oc3ccc(Br)cc3)CC2)c1 ZINC001141160363 1023985395 /nfs/dbraw/zinc/98/53/95/1023985395.db2.gz VVQMUGKVYDUONM-UHFFFAOYSA-N 0 3 378.266 3.904 20 10 GHCDHN CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138125694 1024169033 /nfs/dbraw/zinc/16/90/33/1024169033.db2.gz VOSSZOVHYSPMDK-QGZVFWFLSA-N 0 3 390.524 3.848 20 10 GHCDHN Cc1c(CN2CCC3(CC2)CN(Cc2ccoc2)CCO3)c2ccccc2n1C ZINC001138254495 1024477567 /nfs/dbraw/zinc/47/75/67/1024477567.db2.gz ZFUGQTBAJDJFDJ-UHFFFAOYSA-N 0 3 393.531 3.947 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)c(OC)c1 ZINC001138390174 1024765890 /nfs/dbraw/zinc/76/58/90/1024765890.db2.gz YITJVRVGXUMDQH-UHFFFAOYSA-N 0 3 387.568 3.766 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC2)OC(=O)c2ccncc23)c(OC)c1 ZINC001138392021 1024769732 /nfs/dbraw/zinc/76/97/32/1024769732.db2.gz MPZFMAPJTJOCIB-UHFFFAOYSA-N 0 3 395.503 3.598 20 10 GHCDHN COCC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138679311 1025204372 /nfs/dbraw/zinc/20/43/72/1025204372.db2.gz XKOXIHUPFFQYNI-QGZVFWFLSA-N 0 3 397.357 3.677 20 10 GHCDHN COC[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CCCO1 ZINC000839063600 1025552953 /nfs/dbraw/zinc/55/29/53/1025552953.db2.gz QBKUTJQLAJMAAT-MJGOQNOKSA-N 0 3 397.357 3.723 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140054421 1026834457 /nfs/dbraw/zinc/83/44/57/1026834457.db2.gz PYACGYIUPMITCT-HSZRJFAPSA-N 0 3 391.446 3.662 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140054421 1026834467 /nfs/dbraw/zinc/83/44/67/1026834467.db2.gz PYACGYIUPMITCT-HSZRJFAPSA-N 0 3 391.446 3.662 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001140055807 1026835635 /nfs/dbraw/zinc/83/56/35/1026835635.db2.gz WDKSQVORGCCTAK-TZIWHRDSSA-N 0 3 390.430 3.516 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001140055807 1026835644 /nfs/dbraw/zinc/83/56/44/1026835644.db2.gz WDKSQVORGCCTAK-TZIWHRDSSA-N 0 3 390.430 3.516 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001140100480 1026879152 /nfs/dbraw/zinc/87/91/52/1026879152.db2.gz QRYRXKVZGBLVLU-UHFFFAOYSA-N 0 3 379.342 3.995 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001140100480 1026879156 /nfs/dbraw/zinc/87/91/56/1026879156.db2.gz QRYRXKVZGBLVLU-UHFFFAOYSA-N 0 3 379.342 3.995 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cccc4cnccc43)CC2)cc1 ZINC001140145095 1026920027 /nfs/dbraw/zinc/92/00/27/1026920027.db2.gz LELPHQMJWQRWLM-UHFFFAOYSA-N 0 3 377.488 3.582 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cc(F)cc(F)c3)CC1)[C@H](O)CO2 ZINC000840141538 1027271912 /nfs/dbraw/zinc/27/19/12/1027271912.db2.gz AXPHVTQWPZMHAI-HXUWFJFHSA-N 0 3 375.415 3.551 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cccc(F)c3F)CC1)[C@@H](O)CO2 ZINC000840142758 1027272705 /nfs/dbraw/zinc/27/27/05/1027272705.db2.gz HQSKFIXHQLXYTD-IBGZPJMESA-N 0 3 375.415 3.551 20 10 GHCDHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556903 1027432641 /nfs/dbraw/zinc/43/26/41/1027432641.db2.gz WUEQTBLAXRJIOA-QFIPXVFZSA-N 0 3 376.500 3.968 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203645803 1027503879 /nfs/dbraw/zinc/50/38/79/1027503879.db2.gz SSYSLCHATNGQQB-ROUUACIJSA-N 0 3 387.321 3.719 20 10 GHCDHN CCCCOc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC001203691371 1027538781 /nfs/dbraw/zinc/53/87/81/1027538781.db2.gz MJDLQBPNSDQZBT-HXUWFJFHSA-N 0 3 399.539 3.751 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC2)Cc2ccccc2CNC3=O)cc1 ZINC001203939371 1027734030 /nfs/dbraw/zinc/73/40/30/1027734030.db2.gz PSOHCOPUFLIKBC-UHFFFAOYSA-N 0 3 391.559 3.988 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842929374 1029694034 /nfs/dbraw/zinc/69/40/34/1029694034.db2.gz PJEGZTPGTDJUOM-ZFWWWQNUSA-N 0 3 380.410 3.667 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](Cc2ccccc2)C2CC2)N(C)C)cc1 ZINC001221941361 1029900811 /nfs/dbraw/zinc/90/08/11/1029900811.db2.gz KKBGPTKZNXOSHH-DHIUTWEWSA-N 0 3 394.563 3.676 20 10 GHCDHN CC1=CC(=O)C=C(O[C@H]2CC[C@@H]3NCCO[C@@H]32)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001218120852 1030783549 /nfs/dbraw/zinc/78/35/49/1030783549.db2.gz WBBGXHCBTOKSLA-RSDUNMGNSA-N 0 3 398.419 3.922 20 10 GHCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959169 1030944774 /nfs/dbraw/zinc/94/47/74/1030944774.db2.gz NVTYFGBPFBRFHY-AUUYWEPGSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959169 1030944781 /nfs/dbraw/zinc/94/47/81/1030944781.db2.gz NVTYFGBPFBRFHY-AUUYWEPGSA-N 0 3 395.341 3.686 20 10 GHCDHN [NH3+][C@@H](CCCc1ccccc1)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212536 1031838644 /nfs/dbraw/zinc/83/86/44/1031838644.db2.gz MWAHLJACKWXRMS-SFHVURJKSA-N 0 3 383.879 3.560 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001157436158 1033588453 /nfs/dbraw/zinc/58/84/53/1033588453.db2.gz ZYGLYYILFSPNEI-REWPJTCUSA-N 0 3 384.495 3.848 20 10 GHCDHN O=C([O-])c1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c([O-])c1 ZINC001231454546 1034598522 /nfs/dbraw/zinc/59/85/22/1034598522.db2.gz RMGPTMVNOYTYSP-UHFFFAOYSA-N 0 3 394.515 3.969 20 10 GHCDHN O=C([O-])c1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c([O-])c1 ZINC001231454546 1034598531 /nfs/dbraw/zinc/59/85/31/1034598531.db2.gz RMGPTMVNOYTYSP-UHFFFAOYSA-N 0 3 394.515 3.969 20 10 GHCDHN Cc1cnc(O[C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)nc1 ZINC001231469390 1034614016 /nfs/dbraw/zinc/61/40/16/1034614016.db2.gz MKHHZHSFXGHCOB-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1cnc(O[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)nc1 ZINC001231469390 1034614021 /nfs/dbraw/zinc/61/40/21/1034614021.db2.gz MKHHZHSFXGHCOB-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+](C[C@H]1CCCO1)C[C@@H]2c1ccc(O)cc1 ZINC001207894736 1034640826 /nfs/dbraw/zinc/64/08/26/1034640826.db2.gz VTOBBTGPYKSOBG-CRAIPNDOSA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+](C[C@H]1CCCO1)C[C@@H]2c1ccc(O)cc1 ZINC001207894736 1034640836 /nfs/dbraw/zinc/64/08/36/1034640836.db2.gz VTOBBTGPYKSOBG-CRAIPNDOSA-N 0 3 389.879 3.626 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCCN2Cc1c(O)ccc2ccccc21 ZINC001231586367 1034737275 /nfs/dbraw/zinc/73/72/75/1034737275.db2.gz FXBSYOWUJYLCTH-FPOVZHCZSA-N 0 3 398.503 3.756 20 10 GHCDHN CC(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231587428 1034740030 /nfs/dbraw/zinc/74/00/30/1034740030.db2.gz CMHBZQKFPZGIIN-QFIPXVFZSA-N 0 3 396.531 3.689 20 10 GHCDHN Oc1ccc2ccccc2c1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001231587513 1034742099 /nfs/dbraw/zinc/74/20/99/1034742099.db2.gz LZDDAGBCHAGLFQ-SFHVURJKSA-N 0 3 377.488 3.801 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4c[nH]nc43)CC2)cc1 ZINC001231974392 1035017594 /nfs/dbraw/zinc/01/75/94/1035017594.db2.gz BISKUYRNCVWXNH-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN CC(=O)Nc1c(C)ccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160624523 1035019345 /nfs/dbraw/zinc/01/93/45/1035019345.db2.gz QJCZLPUBSOTEGR-TZIWHRDSSA-N 0 3 392.459 3.613 20 10 GHCDHN c1c(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)nc2cc[nH]cc1-2 ZINC001232018106 1035047277 /nfs/dbraw/zinc/04/72/77/1035047277.db2.gz DSWYCUNLDMZVLS-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN CCOC(=O)[C@H]1CC[C@H](CN2CCc3c(c4cc(OC)ccc4n3C)C2)CC1 ZINC001209003094 1035145815 /nfs/dbraw/zinc/14/58/15/1035145815.db2.gz GQLIFKFFFYPTBP-QAQDUYKDSA-N 0 3 384.520 3.915 20 10 GHCDHN CCOC(=O)CCC1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232203537 1035159671 /nfs/dbraw/zinc/15/96/71/1035159671.db2.gz XXKRKKJBAUERRL-UHFFFAOYSA-N 0 3 394.943 3.732 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cccc4nc(C)ccc34)CC2)cc1 ZINC001248573030 1035965318 /nfs/dbraw/zinc/96/53/18/1035965318.db2.gz DVDWNTBMDMJPEI-UHFFFAOYSA-N 0 3 391.515 3.891 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233107392 1038894798 /nfs/dbraw/zinc/89/47/98/1038894798.db2.gz AZIKCFNZMIGDAQ-KXBFYZLASA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107392 1038894816 /nfs/dbraw/zinc/89/48/16/1038894816.db2.gz AZIKCFNZMIGDAQ-KXBFYZLASA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107392 1038894833 /nfs/dbraw/zinc/89/48/33/1038894833.db2.gz AZIKCFNZMIGDAQ-KXBFYZLASA-N 0 3 398.341 3.871 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC001233110346 1038901243 /nfs/dbraw/zinc/90/12/43/1038901243.db2.gz BHAKZORYWMJUGO-KBPBESRZSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC001233110346 1038901246 /nfs/dbraw/zinc/90/12/46/1038901246.db2.gz BHAKZORYWMJUGO-KBPBESRZSA-N 0 3 384.314 3.874 20 10 GHCDHN CN1CCC[C@@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195704 1038961532 /nfs/dbraw/zinc/96/15/32/1038961532.db2.gz ONHPKYQGPKSDJU-KDOFPFPSSA-N 0 3 375.310 3.834 20 10 GHCDHN CN1CCC[C@@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195704 1038961535 /nfs/dbraw/zinc/96/15/35/1038961535.db2.gz ONHPKYQGPKSDJU-KDOFPFPSSA-N 0 3 375.310 3.834 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)c1[O-] ZINC001233289835 1039070001 /nfs/dbraw/zinc/07/00/01/1039070001.db2.gz RPHGBQSRMDPHPH-UHFFFAOYSA-N 0 3 386.879 3.930 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(CC2)NC(=O)Nc2ccccc23)c1O ZINC001233290116 1039073784 /nfs/dbraw/zinc/07/37/84/1039073784.db2.gz KHCDEJFROBQLEM-UHFFFAOYSA-N 0 3 387.867 3.681 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(CC2)OC(=O)Nc2ncccc23)c1O ZINC001233290236 1039074454 /nfs/dbraw/zinc/07/44/54/1039074454.db2.gz QVHODRWMQFPKSN-UHFFFAOYSA-N 0 3 389.839 3.503 20 10 GHCDHN CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727638 1039571939 /nfs/dbraw/zinc/57/19/39/1039571939.db2.gz NSKGUQZVLUNXJN-GFCCVEGCSA-N 0 3 377.359 3.817 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233745988 1039585917 /nfs/dbraw/zinc/58/59/17/1039585917.db2.gz QZUAHWNZOADOMQ-KBXCAEBGSA-N 0 3 389.414 3.698 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233745988 1039585934 /nfs/dbraw/zinc/58/59/34/1039585934.db2.gz QZUAHWNZOADOMQ-KBXCAEBGSA-N 0 3 389.414 3.698 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cccc(OC(F)(F)F)c1O ZINC001233776412 1039608077 /nfs/dbraw/zinc/60/80/77/1039608077.db2.gz RNKQFFADYMQMTL-YPMHNXCESA-N 0 3 390.402 3.778 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)OC(C)(C)C)c2c1 ZINC001234525781 1040101392 /nfs/dbraw/zinc/10/13/92/1040101392.db2.gz JWJPMQGOEJQZKO-RUYXUALKSA-N 0 3 384.476 3.509 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)OC(C)(C)C)c2c1 ZINC001234525781 1040101399 /nfs/dbraw/zinc/10/13/99/1040101399.db2.gz JWJPMQGOEJQZKO-RUYXUALKSA-N 0 3 384.476 3.509 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCC[C@]12CCC(=O)N2C ZINC001234544678 1040115456 /nfs/dbraw/zinc/11/54/56/1040115456.db2.gz LGOZXXCYAWYMPO-GMAHTHKFSA-N 0 3 382.504 3.919 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCC[C@]12CCC(=O)N2C ZINC001234544678 1040115460 /nfs/dbraw/zinc/11/54/60/1040115460.db2.gz LGOZXXCYAWYMPO-GMAHTHKFSA-N 0 3 382.504 3.919 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545963 1040117559 /nfs/dbraw/zinc/11/75/59/1040117559.db2.gz VNZDBDVVPBERLW-CVDCTZTESA-N 0 3 383.488 3.714 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545963 1040117571 /nfs/dbraw/zinc/11/75/71/1040117571.db2.gz VNZDBDVVPBERLW-CVDCTZTESA-N 0 3 383.488 3.714 20 10 GHCDHN CCN1CCN(c2ccc(O[C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001234657951 1040194001 /nfs/dbraw/zinc/19/40/01/1040194001.db2.gz NVVLBPMAVRYMGN-YLJYHZDGSA-N 0 3 389.540 3.605 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254727145 1040484857 /nfs/dbraw/zinc/48/48/57/1040484857.db2.gz USLFMCBOGNGCHZ-UHFFFAOYSA-N 0 3 390.524 3.773 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254727145 1040484865 /nfs/dbraw/zinc/48/48/65/1040484865.db2.gz USLFMCBOGNGCHZ-UHFFFAOYSA-N 0 3 390.524 3.773 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999355 1040495213 /nfs/dbraw/zinc/49/52/13/1040495213.db2.gz SZIHHXUQTCASIV-RBUKOAKNSA-N 0 3 398.503 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999355 1040495218 /nfs/dbraw/zinc/49/52/18/1040495218.db2.gz SZIHHXUQTCASIV-RBUKOAKNSA-N 0 3 398.503 3.519 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235352019 1040829838 /nfs/dbraw/zinc/82/98/38/1040829838.db2.gz ZYCDSQMOQDWCFC-YLJYHZDGSA-N 0 3 387.321 3.734 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c([O-])c1 ZINC001235678405 1041139088 /nfs/dbraw/zinc/13/90/88/1041139088.db2.gz HKTWVUNLEHRDGC-FQEVSTJZSA-N 0 3 393.531 3.723 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001235678810 1041141032 /nfs/dbraw/zinc/14/10/32/1041141032.db2.gz LGNKXTBZVSBHOO-ZJSXRUAMSA-N 0 3 396.531 3.750 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001235678810 1041141041 /nfs/dbraw/zinc/14/10/41/1041141041.db2.gz LGNKXTBZVSBHOO-ZJSXRUAMSA-N 0 3 396.531 3.750 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c([O-])c1 ZINC001235681203 1041149232 /nfs/dbraw/zinc/14/92/32/1041149232.db2.gz GPUIXLFZCXNJTR-GBXCKJPGSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c([O-])c1 ZINC001235681203 1041149255 /nfs/dbraw/zinc/14/92/55/1041149255.db2.gz GPUIXLFZCXNJTR-GBXCKJPGSA-N 0 3 378.516 3.795 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccccc2)N(C)C)cc1 ZINC001256231745 1041668009 /nfs/dbraw/zinc/66/80/09/1041668009.db2.gz CXYLUEFXBUZIPF-YADHBBJMSA-N 0 3 380.536 3.902 20 10 GHCDHN COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c([O-])cc1Br ZINC001236752026 1041872722 /nfs/dbraw/zinc/87/27/22/1041872722.db2.gz SYBDLAWZTRPSBW-UHFFFAOYSA-N 0 3 379.298 3.861 20 10 GHCDHN COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c([O-])cc1Br ZINC001236752026 1041872731 /nfs/dbraw/zinc/87/27/31/1041872731.db2.gz SYBDLAWZTRPSBW-UHFFFAOYSA-N 0 3 379.298 3.861 20 10 GHCDHN COc1cc(CN2CCC[C@H](c3ccccn3)C2)c(O)cc1Br ZINC001236752954 1041873315 /nfs/dbraw/zinc/87/33/15/1041873315.db2.gz JCCWQAHMZRMMIH-ZDUSSCGKSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1cc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c([O-])cc1Br ZINC001236752954 1041873320 /nfs/dbraw/zinc/87/33/20/1041873320.db2.gz JCCWQAHMZRMMIH-ZDUSSCGKSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c([O-])cc1Br ZINC001236752954 1041873329 /nfs/dbraw/zinc/87/33/29/1041873329.db2.gz JCCWQAHMZRMMIH-ZDUSSCGKSA-N 0 3 377.282 3.938 20 10 GHCDHN OC[C@]1(C(F)(F)F)CCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236778939 1041887644 /nfs/dbraw/zinc/88/76/44/1041887644.db2.gz NPVRMIRBVOYLPZ-IBGZPJMESA-N 0 3 381.394 3.718 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)c([O-])c1 ZINC001236788671 1041894230 /nfs/dbraw/zinc/89/42/30/1041894230.db2.gz MMUXIKPKCNYCBC-NRFANRHFSA-N 0 3 378.516 3.935 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001236788912 1041894454 /nfs/dbraw/zinc/89/44/54/1041894454.db2.gz XAJGGSDQWSDRAE-MQSCRBSSSA-N 0 3 382.504 3.688 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001236788912 1041894460 /nfs/dbraw/zinc/89/44/60/1041894460.db2.gz XAJGGSDQWSDRAE-MQSCRBSSSA-N 0 3 382.504 3.688 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001236806802 1041907967 /nfs/dbraw/zinc/90/79/67/1041907967.db2.gz BKLATNWHVYISFW-CVEARBPZSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001236806802 1041907970 /nfs/dbraw/zinc/90/79/70/1041907970.db2.gz BKLATNWHVYISFW-CVEARBPZSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807162 1041908013 /nfs/dbraw/zinc/90/80/13/1041908013.db2.gz CQFVXRHPVWCJGA-GGAORHGYSA-N 0 3 398.503 3.554 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807162 1041908015 /nfs/dbraw/zinc/90/80/15/1041908015.db2.gz CQFVXRHPVWCJGA-GGAORHGYSA-N 0 3 398.503 3.554 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236807730 1041909103 /nfs/dbraw/zinc/90/91/03/1041909103.db2.gz KGFOUFVOORAUOU-NRFANRHFSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236807730 1041909106 /nfs/dbraw/zinc/90/91/06/1041909106.db2.gz KGFOUFVOORAUOU-NRFANRHFSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809346 1041909869 /nfs/dbraw/zinc/90/98/69/1041909869.db2.gz VVBYXCPEJWEREN-CRAIPNDOSA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809346 1041909872 /nfs/dbraw/zinc/90/98/72/1041909872.db2.gz VVBYXCPEJWEREN-CRAIPNDOSA-N 0 3 376.497 3.541 20 10 GHCDHN [O-]c1cc(O)c(CN2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC001236816526 1041914145 /nfs/dbraw/zinc/91/41/45/1041914145.db2.gz ZGRDUGHGFROJJI-OAHLLOKOSA-N 0 3 386.801 3.917 20 10 GHCDHN O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2C1 ZINC001236841830 1041925702 /nfs/dbraw/zinc/92/57/02/1041925702.db2.gz PEYHWJQZYJWYPU-MJGOQNOKSA-N 0 3 393.512 3.596 20 10 GHCDHN O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2C1 ZINC001236841830 1041925706 /nfs/dbraw/zinc/92/57/06/1041925706.db2.gz PEYHWJQZYJWYPU-MJGOQNOKSA-N 0 3 393.512 3.596 20 10 GHCDHN Clc1cc(N2CCOCC2)ccc1CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001236931202 1041963579 /nfs/dbraw/zinc/96/35/79/1041963579.db2.gz QQZKAZZKKZRGSG-PMACEKPBSA-N 0 3 397.950 3.745 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049377 1042008742 /nfs/dbraw/zinc/00/87/42/1042008742.db2.gz VWYPKGYXTCMTDH-OFNKIYASSA-N 0 3 396.535 3.566 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049377 1042008746 /nfs/dbraw/zinc/00/87/46/1042008746.db2.gz VWYPKGYXTCMTDH-OFNKIYASSA-N 0 3 396.535 3.566 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237050632 1042008799 /nfs/dbraw/zinc/00/87/99/1042008799.db2.gz SRDGNNRHRQHVND-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237050632 1042008808 /nfs/dbraw/zinc/00/88/08/1042008808.db2.gz SRDGNNRHRQHVND-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN CC(C)c1ccc(CN2CC[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001237050391 1042009234 /nfs/dbraw/zinc/00/92/34/1042009234.db2.gz FBBKJUNIWZBPIL-ICSRJNTNSA-N 0 3 390.524 3.726 20 10 GHCDHN CN1CCN(Cc2ccc(OCC(F)(F)F)cc2O)[C@H](c2ccccc2)C1 ZINC001237052086 1042010113 /nfs/dbraw/zinc/01/01/13/1042010113.db2.gz TUMJSGBDFXGQEP-SFHVURJKSA-N 0 3 380.410 3.822 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)c([O-])c1 ZINC001237051909 1042010642 /nfs/dbraw/zinc/01/06/42/1042010642.db2.gz OMUNIWUITRNOJF-UHFFFAOYSA-N 0 3 393.531 3.925 20 10 GHCDHN CCOC(=O)CCC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237055326 1042012720 /nfs/dbraw/zinc/01/27/20/1042012720.db2.gz DIXAZROZGQVLBN-UHFFFAOYSA-N 0 3 389.414 3.889 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001237055228 1042012963 /nfs/dbraw/zinc/01/29/63/1042012963.db2.gz BVLKAJAJTFKEJR-KRWDZBQOSA-N 0 3 382.382 3.772 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001237055228 1042012971 /nfs/dbraw/zinc/01/29/71/1042012971.db2.gz BVLKAJAJTFKEJR-KRWDZBQOSA-N 0 3 382.382 3.772 20 10 GHCDHN Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)nc1 ZINC001237058681 1042014478 /nfs/dbraw/zinc/01/44/78/1042014478.db2.gz DDGFSSPTALVBGV-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)nc1 ZINC001237058681 1042014487 /nfs/dbraw/zinc/01/44/87/1042014487.db2.gz DDGFSSPTALVBGV-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN Oc1ccc(C(F)(F)F)cc1CN1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237136802 1042058479 /nfs/dbraw/zinc/05/84/79/1042058479.db2.gz IPAMQKFFPIRWBS-LPHOPBHVSA-N 0 3 394.393 3.618 20 10 GHCDHN O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237137480 1042059504 /nfs/dbraw/zinc/05/95/04/1042059504.db2.gz PQXSYZXOIMYVTF-INIZCTEOSA-N 0 3 382.426 3.682 20 10 GHCDHN O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237137480 1042059506 /nfs/dbraw/zinc/05/95/06/1042059506.db2.gz PQXSYZXOIMYVTF-INIZCTEOSA-N 0 3 382.426 3.682 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001237142267 1042061692 /nfs/dbraw/zinc/06/16/92/1042061692.db2.gz GFBXWLAPZKGEND-SJORKVTESA-N 0 3 397.368 3.939 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001237142267 1042061698 /nfs/dbraw/zinc/06/16/98/1042061698.db2.gz GFBXWLAPZKGEND-SJORKVTESA-N 0 3 397.368 3.939 20 10 GHCDHN CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237678563 1042319319 /nfs/dbraw/zinc/31/93/19/1042319319.db2.gz AFLQLZYRNDGQAA-QGZVFWFLSA-N 0 3 397.357 3.538 20 10 GHCDHN CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237678563 1042319325 /nfs/dbraw/zinc/31/93/25/1042319325.db2.gz AFLQLZYRNDGQAA-QGZVFWFLSA-N 0 3 397.357 3.538 20 10 GHCDHN Cc1cc(O)c(CN2CCN(C)[C@H](c3ccccc3)C2)cc1Br ZINC001237679569 1042320250 /nfs/dbraw/zinc/32/02/50/1042320250.db2.gz RHYDEQWPQXYRRE-SFHVURJKSA-N 0 3 375.310 3.952 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)c1[O-] ZINC001237680296 1042321384 /nfs/dbraw/zinc/32/13/84/1042321384.db2.gz QEVXVLHEIZGZLI-QFIPXVFZSA-N 0 3 399.922 3.906 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)c1[O-] ZINC001237680296 1042321393 /nfs/dbraw/zinc/32/13/93/1042321393.db2.gz QEVXVLHEIZGZLI-QFIPXVFZSA-N 0 3 399.922 3.906 20 10 GHCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941641 1042430932 /nfs/dbraw/zinc/43/09/32/1042430932.db2.gz ZXGNHGCLAJYGCV-JTQLQIEISA-N 0 3 391.752 3.647 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@@H](O)CO2 ZINC001262052369 1046170003 /nfs/dbraw/zinc/17/00/03/1046170003.db2.gz SKLMYMJEAKIOAW-AOMKIAJQSA-N 0 3 391.471 3.588 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@@H](O)CO2 ZINC001262052369 1046170011 /nfs/dbraw/zinc/17/00/11/1046170011.db2.gz SKLMYMJEAKIOAW-AOMKIAJQSA-N 0 3 391.471 3.588 20 10 GHCDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c([O-])c1 ZINC000700143400 1047578911 /nfs/dbraw/zinc/57/89/11/1047578911.db2.gz MQSYHLDBRGTWTA-INIZCTEOSA-N 0 3 378.513 3.916 20 10 GHCDHN CCSc1ccccc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463278696 1070957873 /nfs/dbraw/zinc/95/78/73/1070957873.db2.gz GKSNXORAAJXQEO-HXUWFJFHSA-N 0 3 385.577 3.826 20 10 GHCDHN COc1cc(CNCC(=O)N2CCCc3ccccc32)c(O)c(C(C)(C)C)c1 ZINC001308242923 1049924053 /nfs/dbraw/zinc/92/40/53/1049924053.db2.gz DTXCYWKEIWNBJM-UHFFFAOYSA-N 0 3 382.504 3.767 20 10 GHCDHN CC[NH+](CC)CCOc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001311313453 1052012322 /nfs/dbraw/zinc/01/23/22/1052012322.db2.gz FVQAOJGLCNFPJI-UHFFFAOYSA-N 0 3 375.444 3.574 20 10 GHCDHN CCCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313417099 1053048145 /nfs/dbraw/zinc/04/81/45/1053048145.db2.gz QWMCCCQPQCCRMK-QFIPXVFZSA-N 0 3 382.552 3.977 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCC3)cc2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC001323189151 1056935850 /nfs/dbraw/zinc/93/58/50/1056935850.db2.gz FCBVISUJZNXSIX-MDNUFGMLSA-N 0 3 375.516 3.533 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000848517046 1057144273 /nfs/dbraw/zinc/14/42/73/1057144273.db2.gz AHIMWFPJAGWWGC-QMTHXVAHSA-N 0 3 380.286 3.625 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1[O-] ZINC000848524971 1057148320 /nfs/dbraw/zinc/14/83/20/1057148320.db2.gz YTOGMWFFCQRVFS-DZGCQCFKSA-N 0 3 394.309 3.665 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1[O-] ZINC000848531408 1057152774 /nfs/dbraw/zinc/15/27/74/1057152774.db2.gz QWJMMGGDGXGOJA-MLGOLLRUSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1O ZINC000848533870 1057155199 /nfs/dbraw/zinc/15/51/99/1057155199.db2.gz WHKRQOICRLPJBS-SNVBAGLBSA-N 0 3 381.226 3.922 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)c1[O-] ZINC000848536455 1057157144 /nfs/dbraw/zinc/15/71/44/1057157144.db2.gz SHFCGVJDYCGRDZ-WBMJQRKESA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000848536820 1057158238 /nfs/dbraw/zinc/15/82/38/1057158238.db2.gz VQTAOTZAKLSUJN-UWVGGRQHSA-N 0 3 383.290 3.817 20 10 GHCDHN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848537087 1057158561 /nfs/dbraw/zinc/15/85/61/1057158561.db2.gz ZGGGCJSUBBCQFQ-LLVKDONJSA-N 0 3 396.329 3.872 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@H](C)c2ccncc2OC)c1O ZINC000848548379 1057168757 /nfs/dbraw/zinc/16/87/57/1057168757.db2.gz WKACRUXMAADXNZ-GHMZBOCLSA-N 0 3 381.270 3.979 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1[O-] ZINC000848547632 1057169931 /nfs/dbraw/zinc/16/99/31/1057169931.db2.gz RBODAHVXORPUOX-PELKAZGASA-N 0 3 386.208 3.781 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCc2c3c(nn2C)CCCC3)c1O ZINC000848551833 1057173486 /nfs/dbraw/zinc/17/34/86/1057173486.db2.gz VBJSRHYRYIUZTP-NSHDSACASA-N 0 3 394.313 3.626 20 10 GHCDHN Cc1cccc2c(CC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c21 ZINC001439959695 1058365947 /nfs/dbraw/zinc/36/59/47/1058365947.db2.gz GTIFSNBRDNEEEV-OAQYLSRUSA-N 0 3 378.520 3.504 20 10 GHCDHN COc1cc(F)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(Cl)c1 ZINC001439961641 1058368598 /nfs/dbraw/zinc/36/85/98/1058368598.db2.gz RSRDNBWVPDRGFY-GOSISDBHSA-N 0 3 393.890 3.586 20 10 GHCDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC001348524278 1063171754 /nfs/dbraw/zinc/17/17/54/1063171754.db2.gz AJHWMROEVUKMBU-QHCPKHFHSA-N 0 3 379.548 3.856 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)N(C)C)cc1 ZINC001200086575 1065173739 /nfs/dbraw/zinc/17/37/39/1065173739.db2.gz COYBKSLYZGWIKQ-OAQYLSRUSA-N 0 3 392.507 3.567 20 10 GHCDHN Cc1cc(N(C)C)cc(C)c1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001465974354 1065942637 /nfs/dbraw/zinc/94/26/37/1065942637.db2.gz TZUDXYTVSCTQHK-NRFANRHFSA-N 0 3 397.567 3.860 20 10 GHCDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nc(C)cs1 ZINC001468686401 1067824660 /nfs/dbraw/zinc/82/46/60/1067824660.db2.gz OLHFREQIBTVWGL-ZWKOTPCHSA-N 0 3 389.569 3.571 20 10 GHCDHN CC(C)c1cccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001469839388 1068421430 /nfs/dbraw/zinc/42/14/30/1068421430.db2.gz RCPYGYKTMFASGN-JOCHJYFZSA-N 0 3 382.552 3.978 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001470370654 1068706430 /nfs/dbraw/zinc/70/64/30/1068706430.db2.gz LCWOUYLRCVGMPT-WOJBJXKFSA-N 0 3 396.579 3.812 20 10 GHCDHN C[C@H]1CN(c2cccc(Cl)c2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001473493775 1073988555 /nfs/dbraw/zinc/98/85/55/1073988555.db2.gz IWDNTQGGPBVJIC-SFHVURJKSA-N 0 3 385.939 3.887 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc4cc(F)ccc4o3)cc2)C1 ZINC001473950886 1074215880 /nfs/dbraw/zinc/21/58/80/1074215880.db2.gz YBHOZORSOFQWMG-INIZCTEOSA-N 0 3 381.451 3.563 20 10 GHCDHN CCC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)N1CCc2sccc2C1 ZINC001473975795 1074223218 /nfs/dbraw/zinc/22/32/18/1074223218.db2.gz OBPKYPHDHFMVSQ-SFHVURJKSA-N 0 3 389.540 3.796 20 10 GHCDHN COc1ccc(C[N@@H+]2CCCN(Cc3cc(Cl)c(F)cc3[O-])CC2)cc1 ZINC001474409357 1074392770 /nfs/dbraw/zinc/39/27/70/1074392770.db2.gz YWQGQGGXYWAIPT-UHFFFAOYSA-N 0 3 378.875 3.901 20 10 GHCDHN COc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)c(F)cc3[O-])CC2)cc1 ZINC001474409357 1074392778 /nfs/dbraw/zinc/39/27/78/1074392778.db2.gz YWQGQGGXYWAIPT-UHFFFAOYSA-N 0 3 378.875 3.901 20 10 GHCDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001474522169 1074447974 /nfs/dbraw/zinc/44/79/74/1074447974.db2.gz OJQYLVNPPJYQGO-RHSMWYFYSA-N 0 3 376.447 3.541 20 10 GHCDHN COc1ccc(CNc2ccc(CN3CCSCC3)cc2C)c(O)c1OC ZINC000892353341 834964280 /nfs/dbraw/zinc/96/42/80/834964280.db2.gz AMFXYKHSQXGOJN-UHFFFAOYSA-N 0 3 388.533 3.879 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000274897689 835787036 /nfs/dbraw/zinc/78/70/36/835787036.db2.gz KPRMGWWIRKOYSX-LNLFQRSKSA-N 0 3 397.357 3.573 20 10 GHCDHN Oc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F ZINC000892606063 837019077 /nfs/dbraw/zinc/01/90/77/837019077.db2.gz FBYHFWCXADITBF-UHFFFAOYSA-N 0 3 384.373 3.677 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000180601549 837382330 /nfs/dbraw/zinc/38/23/30/837382330.db2.gz MDGBWFAFKIIIJU-GJZGRUSLSA-N 0 3 396.281 3.844 20 10 GHCDHN CC1CCN([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)c2cccs2)CC1 ZINC000180597718 838617331 /nfs/dbraw/zinc/61/73/31/838617331.db2.gz ZXQRNUOTSIZODH-QQOXCAACSA-N 0 3 386.517 3.762 20 10 GHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101539273 845414554 /nfs/dbraw/zinc/41/45/54/845414554.db2.gz ULUZXJMGKVXLAV-UHFFFAOYSA-N 0 3 396.487 3.638 20 10 GHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101539273 845414561 /nfs/dbraw/zinc/41/45/61/845414561.db2.gz ULUZXJMGKVXLAV-UHFFFAOYSA-N 0 3 396.487 3.638 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000472109797 845934401 /nfs/dbraw/zinc/93/44/01/845934401.db2.gz DPBCBIVTBFKQET-DENIHFKCSA-N 0 3 376.504 3.731 20 10 GHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280289714 846352857 /nfs/dbraw/zinc/35/28/57/846352857.db2.gz ZBVCNPQNDJYVCC-KXBFYZLASA-N 0 3 376.522 3.753 20 10 GHCDHN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000272657195 847136062 /nfs/dbraw/zinc/13/60/62/847136062.db2.gz BJMSJFCQDBLCFH-SFHVURJKSA-N 0 3 396.535 3.708 20 10 GHCDHN CCOc1cccc(CNC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731846135 861906566 /nfs/dbraw/zinc/90/65/66/861906566.db2.gz UGEJUGHHIAXDDQ-UHFFFAOYSA-N 0 3 382.504 3.852 20 10 GHCDHN CCOc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731846135 861906579 /nfs/dbraw/zinc/90/65/79/861906579.db2.gz UGEJUGHHIAXDDQ-UHFFFAOYSA-N 0 3 382.504 3.852 20 10 GHCDHN COCc1ccc(CNC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204082 862145632 /nfs/dbraw/zinc/14/56/32/862145632.db2.gz BVBKZRNEFYQIHH-UHFFFAOYSA-N 0 3 382.504 3.600 20 10 GHCDHN COCc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204082 862145646 /nfs/dbraw/zinc/14/56/46/862145646.db2.gz BVBKZRNEFYQIHH-UHFFFAOYSA-N 0 3 382.504 3.600 20 10 GHCDHN Cc1cc(CCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c(C)n1-c1ccccc1 ZINC000732441483 862296090 /nfs/dbraw/zinc/29/60/90/862296090.db2.gz IKJMSPVFUJDCJH-JOCHJYFZSA-N 0 3 380.536 3.515 20 10 GHCDHN CC[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000156636386 853975010 /nfs/dbraw/zinc/97/50/10/853975010.db2.gz XIHQPESQCANZHD-OAQYLSRUSA-N 0 3 381.520 3.562 20 10 GHCDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000165185533 854734875 /nfs/dbraw/zinc/73/48/75/854734875.db2.gz LMPCGYUMUNWGGL-INIZCTEOSA-N 0 3 375.513 3.848 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000761206310 859123389 /nfs/dbraw/zinc/12/33/89/859123389.db2.gz VXDCPSIVZDRAKS-OLZOCXBDSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000761206310 859123396 /nfs/dbraw/zinc/12/33/96/859123396.db2.gz VXDCPSIVZDRAKS-OLZOCXBDSA-N 0 3 384.904 3.789 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2ccccc2o1 ZINC000765257197 859875112 /nfs/dbraw/zinc/87/51/12/859875112.db2.gz XSVUOBVHZXJVAT-LPHOPBHVSA-N 0 3 377.488 3.985 20 10 GHCDHN CC[C@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(N(C)C)cc1 ZINC000765267257 859875268 /nfs/dbraw/zinc/87/52/68/859875268.db2.gz RIUKEORGFNHCIW-NRFANRHFSA-N 0 3 389.565 3.680 20 10 GHCDHN Cc1cc(Br)c([O-])c(CN[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000922629244 860356083 /nfs/dbraw/zinc/35/60/83/860356083.db2.gz UWTBOAPFJPWYLW-QGZVFWFLSA-N 0 3 378.314 3.641 20 10 GHCDHN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)n1 ZINC000856596041 881568715 /nfs/dbraw/zinc/56/87/15/881568715.db2.gz PYSWUXXJCRJDNU-HSZRJFAPSA-N 0 3 393.487 3.574 20 10 GHCDHN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)n1 ZINC000856596041 881568722 /nfs/dbraw/zinc/56/87/22/881568722.db2.gz PYSWUXXJCRJDNU-HSZRJFAPSA-N 0 3 393.487 3.574 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000733892764 863314983 /nfs/dbraw/zinc/31/49/83/863314983.db2.gz WWCFOYYNHIFAGH-UHFFFAOYSA-N 0 3 394.563 3.557 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1c1cccc(C)c1C)cc2=O ZINC000741794109 866798189 /nfs/dbraw/zinc/79/81/89/866798189.db2.gz ORPGGWLLVCEYSW-LJQANCHMSA-N 0 3 394.475 3.566 20 10 GHCDHN Fc1ccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CCOCC2)cc1 ZINC000742370955 867264572 /nfs/dbraw/zinc/26/45/72/867264572.db2.gz BPDIYCDZBWOSPN-UHFFFAOYSA-N 0 3 388.458 3.597 20 10 GHCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1ccccc1Br ZINC000920432850 882123282 /nfs/dbraw/zinc/12/32/82/882123282.db2.gz GLUQGYXDCBKAKR-UHFFFAOYSA-N 0 3 390.325 3.682 20 10 GHCDHN CS(=O)(=O)c1ccc(OCC[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000743848478 868450664 /nfs/dbraw/zinc/45/06/64/868450664.db2.gz SAEFUXPFUXJKDN-UHFFFAOYSA-N 0 3 389.517 3.619 20 10 GHCDHN CS(=O)(=O)c1ccc(OCC[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000743848478 868450673 /nfs/dbraw/zinc/45/06/73/868450673.db2.gz SAEFUXPFUXJKDN-UHFFFAOYSA-N 0 3 389.517 3.619 20 10 GHCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000775565430 870860450 /nfs/dbraw/zinc/86/04/50/870860450.db2.gz KBABKQSIJUVXHP-KEYYUXOJSA-N 0 3 377.481 3.840 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000182414637 872334829 /nfs/dbraw/zinc/33/48/29/872334829.db2.gz DOZRYQJOPNECIC-CHWSQXEVSA-N 0 3 378.419 3.549 20 10 GHCDHN O=C(c1ccc(F)cc1)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768441788 873307549 /nfs/dbraw/zinc/30/75/49/873307549.db2.gz NJYQKFSSZPIZDR-UHFFFAOYSA-N 0 3 382.479 3.758 20 10 GHCDHN CN1CCC2(CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C2)CC1 ZINC001197175915 873639044 /nfs/dbraw/zinc/63/90/44/873639044.db2.gz HIFMNVMBZJJORK-QURGRASLSA-N 0 3 384.505 3.818 20 10 GHCDHN FC(F)(F)COCCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769110425 873815295 /nfs/dbraw/zinc/81/52/95/873815295.db2.gz DZWFEZHCGKZFEP-UHFFFAOYSA-N 0 3 399.501 3.764 20 10 GHCDHN C[C@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775829023 874286266 /nfs/dbraw/zinc/28/62/66/874286266.db2.gz WHJWBOLZQQHOAR-ZDUSSCGKSA-N 0 3 397.416 3.878 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000775837488 874331776 /nfs/dbraw/zinc/33/17/76/874331776.db2.gz SXOHMZHUHMBSTK-GFCCVEGCSA-N 0 3 394.288 3.944 20 10 GHCDHN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000775834402 874340099 /nfs/dbraw/zinc/34/00/99/874340099.db2.gz NTXLOECIUXKKPA-GAJHUEQPSA-N 0 3 383.536 3.925 20 10 GHCDHN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775833775 874344440 /nfs/dbraw/zinc/34/44/40/874344440.db2.gz LVTYOJXKNIYOBH-CABCVRRESA-N 0 3 375.463 3.901 20 10 GHCDHN O=C1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CN1c1c(F)cccc1F ZINC000770751523 874864354 /nfs/dbraw/zinc/86/43/54/874864354.db2.gz XZMFOPOZEYFJSN-QGZVFWFLSA-N 0 3 385.458 3.850 20 10 GHCDHN C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170008 875688300 /nfs/dbraw/zinc/68/83/00/875688300.db2.gz HTERIQLBHHKYIT-FUHWJXTLSA-N 0 3 394.943 3.903 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001201490945 875718816 /nfs/dbraw/zinc/71/88/16/875718816.db2.gz GFGCGFXORGOBQQ-HXUWFJFHSA-N 0 3 386.471 3.727 20 10 GHCDHN Cc1cc2ncc([C@@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000772443672 875962040 /nfs/dbraw/zinc/96/20/40/875962040.db2.gz BCMNIOXQLSQXQD-IAGOWNOFSA-N 0 3 379.508 3.595 20 10 GHCDHN C[C@H](NC(=O)N(CCc1ccccc1)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000776242641 876006977 /nfs/dbraw/zinc/00/69/77/876006977.db2.gz AAANBCCPEAAEPW-IBGZPJMESA-N 0 3 382.552 3.630 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c([O-])c1 ZINC000785543460 876098306 /nfs/dbraw/zinc/09/83/06/876098306.db2.gz FHQACRGVCIEIIW-MRXNPFEDSA-N 0 3 391.309 3.922 20 10 GHCDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176414776 876354344 /nfs/dbraw/zinc/35/43/44/876354344.db2.gz DQLCRVPQWXMGLH-UHFFFAOYSA-N 0 3 386.565 3.622 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1[O-] ZINC000850416526 876897744 /nfs/dbraw/zinc/89/77/44/876897744.db2.gz LBBNETQHGWMOEI-QGZVFWFLSA-N 0 3 391.309 3.527 20 10 GHCDHN O=[S@@](CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])CC(F)(F)F ZINC000850496708 876972727 /nfs/dbraw/zinc/97/27/27/876972727.db2.gz QFKFPEDRCRJUHO-QUGAMOGWSA-N 0 3 385.451 3.967 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850557410 877023951 /nfs/dbraw/zinc/02/39/51/877023951.db2.gz NWFHOVVQRNCQFD-OLZOCXBDSA-N 0 3 383.330 3.761 20 10 GHCDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787995660 877763932 /nfs/dbraw/zinc/76/39/32/877763932.db2.gz PBQZAQVZGOPXEF-RTBURBONSA-N 0 3 379.464 3.545 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1c1cc(C)ccc1C)cc2=O ZINC001168134030 878792660 /nfs/dbraw/zinc/79/26/60/878792660.db2.gz IDJGCGWEAVTKMU-IBGZPJMESA-N 0 3 394.475 3.566 20 10 GHCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000795691146 912410534 /nfs/dbraw/zinc/41/05/34/912410534.db2.gz YZFJGQMRXLTOOW-GOSISDBHSA-N 0 3 389.414 3.626 20 10 GHCDHN COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000790500760 879774865 /nfs/dbraw/zinc/77/48/65/879774865.db2.gz AGZFVNIQLZDOMO-GOSISDBHSA-N 0 3 398.551 3.596 20 10 GHCDHN C[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858528685 883175331 /nfs/dbraw/zinc/17/53/31/883175331.db2.gz FATQNOUZJZYUCK-BTYIYWSLSA-N 0 3 399.922 3.654 20 10 GHCDHN COc1ccc(N2CCN(CCCC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000175275871 883552080 /nfs/dbraw/zinc/55/20/80/883552080.db2.gz RAEBNQIPWDZTGH-UHFFFAOYSA-N 0 3 381.520 3.853 20 10 GHCDHN C[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000130324715 884214548 /nfs/dbraw/zinc/21/45/48/884214548.db2.gz UUTBBVLQVINQAQ-VLIAUNLRSA-N 0 3 378.875 3.700 20 10 GHCDHN Cn1cc([C@]2(C[NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])CCCO2)cn1 ZINC000898057177 884571589 /nfs/dbraw/zinc/57/15/89/884571589.db2.gz SZONYDRGWRDFBJ-HSZRJFAPSA-N 0 3 393.487 3.500 20 10 GHCDHN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000807622655 885579245 /nfs/dbraw/zinc/57/92/45/885579245.db2.gz ULXSZAUEBVEKSW-AVRDEDQJSA-N 0 3 380.536 3.557 20 10 GHCDHN OCC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000808429779 886377786 /nfs/dbraw/zinc/37/77/86/886377786.db2.gz OXIUHKBTYAUOJA-IBGZPJMESA-N 0 3 378.875 3.529 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808680597 886637047 /nfs/dbraw/zinc/63/70/47/886637047.db2.gz MQPDLTAFPPHEGW-STQMWFEESA-N 0 3 382.913 3.674 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699435 886720484 /nfs/dbraw/zinc/72/04/84/886720484.db2.gz YRGDVYROZYNSGZ-DJJJIMSYSA-N 0 3 385.895 3.843 20 10 GHCDHN Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000809662881 887688487 /nfs/dbraw/zinc/68/84/87/887688487.db2.gz HAMVGQZNLJUNDS-SFHVURJKSA-N 0 3 390.487 3.723 20 10 GHCDHN Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000809662881 887688492 /nfs/dbraw/zinc/68/84/92/887688492.db2.gz HAMVGQZNLJUNDS-SFHVURJKSA-N 0 3 390.487 3.723 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000796077692 913245623 /nfs/dbraw/zinc/24/56/23/913245623.db2.gz ILTHQYKISZBDQX-QFIPXVFZSA-N 0 3 379.548 3.856 20 10 GHCDHN CCOc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC ZINC000120859747 888693174 /nfs/dbraw/zinc/69/31/74/888693174.db2.gz TUCQWHLTFJZGEI-UHFFFAOYSA-N 0 3 384.520 3.953 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@](CO)(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000812781056 890961917 /nfs/dbraw/zinc/96/19/17/890961917.db2.gz FJNQTXBSIQNKRA-FQEVSTJZSA-N 0 3 378.438 3.907 20 10 GHCDHN COc1cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000825710742 891964429 /nfs/dbraw/zinc/96/44/29/891964429.db2.gz ZNYZCHGGBVFJHO-SJCJKPOMSA-N 0 3 375.431 3.834 20 10 GHCDHN Cc1cc(CN[C@](C)(CO)c2ccc(Br)cc2)ccc1N(C)C ZINC000815116308 893448764 /nfs/dbraw/zinc/44/87/64/893448764.db2.gz IISXJHCLSYAHNF-LJQANCHMSA-N 0 3 377.326 3.821 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000877552385 893683761 /nfs/dbraw/zinc/68/37/61/893683761.db2.gz SFYNRHXSRSNHEO-QGZVFWFLSA-N 0 3 394.494 3.823 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000815564295 894002525 /nfs/dbraw/zinc/00/25/25/894002525.db2.gz DXYYNSXHVWIEQQ-YADHBBJMSA-N 0 3 391.515 3.922 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C(C)C)[C@@H](C)c1ccsc1)cc2=O ZINC000817287617 895442430 /nfs/dbraw/zinc/44/24/30/895442430.db2.gz NZQVMJKWRJZMQF-ZDUSSCGKSA-N 0 3 388.493 3.645 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCCCNC1)c1cc(Br)cc(Br)c1[O-] ZINC000817984311 895994024 /nfs/dbraw/zinc/99/40/24/895994024.db2.gz QBKGCXZICMSANM-GXSJLCMTSA-N 0 3 392.135 3.710 20 10 GHCDHN C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817984311 895994037 /nfs/dbraw/zinc/99/40/37/895994037.db2.gz QBKGCXZICMSANM-GXSJLCMTSA-N 0 3 392.135 3.710 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000883289999 897454407 /nfs/dbraw/zinc/45/44/07/897454407.db2.gz HTNYZUVGSPXYBP-XMMPIXPASA-N 0 3 390.506 3.852 20 10 GHCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000821943380 898135079 /nfs/dbraw/zinc/13/50/79/898135079.db2.gz DDLISTIXMMIFER-IBGZPJMESA-N 0 3 379.464 3.586 20 10 GHCDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000155704496 899016356 /nfs/dbraw/zinc/01/63/56/899016356.db2.gz KUWBDZRRVIWEHG-UHFFFAOYSA-N 0 3 392.547 3.645 20 10 GHCDHN CCOc1ccc(C[NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c([O-])c1 ZINC000824903954 899869651 /nfs/dbraw/zinc/86/96/51/899869651.db2.gz QUFMWQVEQOFWQV-UHFFFAOYSA-N 0 3 397.519 3.504 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824953497 899904894 /nfs/dbraw/zinc/90/48/94/899904894.db2.gz KTEJOEJPXHODPF-JKSUJKDBSA-N 0 3 393.281 3.568 20 10 GHCDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112252 899984326 /nfs/dbraw/zinc/98/43/26/899984326.db2.gz SDFJUJKIGOVVGD-DLBZAZTESA-N 0 3 390.524 3.870 20 10 GHCDHN COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112252 899984335 /nfs/dbraw/zinc/98/43/35/899984335.db2.gz SDFJUJKIGOVVGD-DLBZAZTESA-N 0 3 390.524 3.870 20 10 GHCDHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000303200456 914443189 /nfs/dbraw/zinc/44/31/89/914443189.db2.gz ODHHSDANOMXLQG-HSZRJFAPSA-N 0 3 386.499 3.999 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC000844710813 901188703 /nfs/dbraw/zinc/18/87/03/901188703.db2.gz MGHQQTYVDHSCQX-MRXNPFEDSA-N 0 3 384.476 3.857 20 10 GHCDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N3CCC(C(N)=O)CC3)cc1)CCC2 ZINC000886747289 901250938 /nfs/dbraw/zinc/25/09/38/901250938.db2.gz PNLDLHSFJSNPHV-SFHVURJKSA-N 0 3 398.576 3.574 20 10 GHCDHN COc1ccc2oc(CNCc3ccc(N4CCC(CO)CC4)cc3)cc2c1 ZINC000124220200 902039202 /nfs/dbraw/zinc/03/92/02/902039202.db2.gz YTJUJDSNTHXAAS-UHFFFAOYSA-N 0 3 380.488 3.940 20 10 GHCDHN CC(C)(C)OC(=O)[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000846082166 902658588 /nfs/dbraw/zinc/65/85/88/902658588.db2.gz NOPHRWQKKDUBDC-SJORKVTESA-N 0 3 383.444 3.781 20 10 GHCDHN COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000779005550 902738098 /nfs/dbraw/zinc/73/80/98/902738098.db2.gz XDLWUFSQQZSKIN-ZDUSSCGKSA-N 0 3 395.297 3.734 20 10 GHCDHN Cc1nc2c(s1)[C@@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000151542458 904153622 /nfs/dbraw/zinc/15/36/22/904153622.db2.gz FCOYPUVUUCYQRH-KRWDZBQOSA-N 0 3 375.513 3.719 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](c3ccc(F)cn3)C(C)C)cc2F)CC1 ZINC000779340895 906337619 /nfs/dbraw/zinc/33/76/19/906337619.db2.gz MPUXZIDLIGJJSG-JOCHJYFZSA-N 0 3 388.506 3.989 20 10 GHCDHN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180411746 906763166 /nfs/dbraw/zinc/76/31/66/906763166.db2.gz HIDXSHNAJMQUCF-QGZVFWFLSA-N 0 3 394.494 3.914 20 10 GHCDHN C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000186127557 907881896 /nfs/dbraw/zinc/88/18/96/907881896.db2.gz HUEMPHHAWNGZQF-XWIAVFTESA-N 0 3 397.357 3.573 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000186985492 908016055 /nfs/dbraw/zinc/01/60/55/908016055.db2.gz ULPMPWHXNRLUEZ-ZDUSSCGKSA-N 0 3 383.330 3.761 20 10 GHCDHN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2CCSCC2)cc1 ZINC000801719936 921421066 /nfs/dbraw/zinc/42/10/66/921421066.db2.gz YKSRXXFDKMMPHQ-UHFFFAOYSA-N 0 3 393.560 3.727 20 10 GHCDHN C[C@@H](NCc1ccccc1Cn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268795258 910021313 /nfs/dbraw/zinc/02/13/13/910021313.db2.gz ZRXLRNRORBJRHN-GOSISDBHSA-N 0 3 394.494 3.758 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000246502512 910339871 /nfs/dbraw/zinc/33/98/71/910339871.db2.gz SQQCMFZAKDLPPM-JTSKRJEESA-N 0 3 381.520 3.603 20 10 GHCDHN CC(=O)Nc1ccc2c(CN[C@@H](C)c3ccc(N(C)C)cc3)cc(=O)oc2c1 ZINC000774480908 911785460 /nfs/dbraw/zinc/78/54/60/911785460.db2.gz GDQDUMBIJQQLDW-AWEZNQCLSA-N 0 3 379.460 3.668 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)ccc1[O-] ZINC000774510840 911853788 /nfs/dbraw/zinc/85/37/88/911853788.db2.gz RXUOJGRXEZROLC-ZBEGNZNMSA-N 0 3 393.256 3.750 20 10 GHCDHN COC1CCN(c2ccc(CN3CCC[C@](O)(C(F)(F)F)CC3)cc2)CC1 ZINC000295268828 917240147 /nfs/dbraw/zinc/24/01/47/917240147.db2.gz JKTJVJKYBOGDOK-LJQANCHMSA-N 0 3 386.458 3.581 20 10 GHCDHN CCOC(=O)C[C@@](C)([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000775374981 917287481 /nfs/dbraw/zinc/28/74/81/917287481.db2.gz PBMNYLKREBWSIR-QGZVFWFLSA-N 0 3 388.302 3.621 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cnn(C2CCCC2)c1 ZINC000800476346 920156539 /nfs/dbraw/zinc/15/65/39/920156539.db2.gz JQURZLDQOSBAPF-HKUYNNGSSA-N 0 3 395.551 3.551 20 10 GHCDHN COc1ccc(N2CCCN(Cc3c(C)nn(-c4ccccn4)c3C)CC2)cc1 ZINC000802637801 922277758 /nfs/dbraw/zinc/27/77/58/922277758.db2.gz HXULXJIYLRGMKJ-UHFFFAOYSA-N 0 3 391.519 3.605 20 10 GHCDHN C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000903379960 922977994 /nfs/dbraw/zinc/97/79/94/922977994.db2.gz JKJPWCGFVJLFBP-GUYCJALGSA-N 0 3 378.314 3.893 20 10 GHCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370500336 924130467 /nfs/dbraw/zinc/13/04/67/924130467.db2.gz QJDKNCNAPMVYKU-XMSQKQJNSA-N 0 3 394.515 3.735 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827376644 925385087 /nfs/dbraw/zinc/38/50/87/925385087.db2.gz GPEYTMDRCZGLOY-BBRMVZONSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827376644 925385097 /nfs/dbraw/zinc/38/50/97/925385097.db2.gz GPEYTMDRCZGLOY-BBRMVZONSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382534980 926353403 /nfs/dbraw/zinc/35/34/03/926353403.db2.gz NTIQDQZZDPYEQV-CABCVRRESA-N 0 3 384.904 3.980 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382534984 926353591 /nfs/dbraw/zinc/35/35/91/926353591.db2.gz NTIQDQZZDPYEQV-HUUCEWRRSA-N 0 3 384.904 3.980 20 10 GHCDHN COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)s1 ZINC000827943652 926370492 /nfs/dbraw/zinc/37/04/92/926370492.db2.gz ZBXYTTWZGTZKPS-GFCCVEGCSA-N 0 3 380.897 3.977 20 10 GHCDHN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)s1 ZINC000827943652 926370497 /nfs/dbraw/zinc/37/04/97/926370497.db2.gz ZBXYTTWZGTZKPS-GFCCVEGCSA-N 0 3 380.897 3.977 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000374804029 927540715 /nfs/dbraw/zinc/54/07/15/927540715.db2.gz AMAUOOVLPVHWIJ-INIZCTEOSA-N 0 3 394.450 3.886 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)c1ccccc1 ZINC000374804029 927540723 /nfs/dbraw/zinc/54/07/23/927540723.db2.gz AMAUOOVLPVHWIJ-INIZCTEOSA-N 0 3 394.450 3.886 20 10 GHCDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753530637 929391617 /nfs/dbraw/zinc/39/16/17/929391617.db2.gz NWNLCFAOYCVGJW-HXUWFJFHSA-N 0 3 382.504 3.709 20 10 GHCDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753530637 929391630 /nfs/dbraw/zinc/39/16/30/929391630.db2.gz NWNLCFAOYCVGJW-HXUWFJFHSA-N 0 3 382.504 3.709 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000753543743 929402870 /nfs/dbraw/zinc/40/28/70/929402870.db2.gz DPMXPCHGBOLKAF-JOCHJYFZSA-N 0 3 383.488 3.741 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000753591459 929435626 /nfs/dbraw/zinc/43/56/26/929435626.db2.gz QKIDXZXAFCQKMU-KFKAGJAMSA-N 0 3 390.524 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000753591459 929435629 /nfs/dbraw/zinc/43/56/29/929435629.db2.gz QKIDXZXAFCQKMU-KFKAGJAMSA-N 0 3 390.524 3.916 20 10 GHCDHN C[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000753764155 929523824 /nfs/dbraw/zinc/52/38/24/929523824.db2.gz RROMQEDXTIJAGN-PXNSSMCTSA-N 0 3 388.939 3.821 20 10 GHCDHN C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000783506749 931567415 /nfs/dbraw/zinc/56/74/15/931567415.db2.gz WFJCSDTUMPRSDC-CYBMUJFWSA-N 0 3 377.282 3.625 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000777569052 931842467 /nfs/dbraw/zinc/84/24/67/931842467.db2.gz DMDYYYKXXXNCCV-UHFFFAOYSA-N 0 3 386.236 3.900 20 10 GHCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181300 932554442 /nfs/dbraw/zinc/55/44/42/932554442.db2.gz IHZZGTMVTXRPQP-DOPJRALCSA-N 0 3 386.458 3.830 20 10 GHCDHN CCOc1ccc(C[NH2+]Cc2ccc(I)c(C)c2)c([O-])c1 ZINC000798498212 932672182 /nfs/dbraw/zinc/67/21/82/932672182.db2.gz NGGFQARTHHWOFI-UHFFFAOYSA-N 0 3 397.256 3.994 20 10 GHCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(Br)cc1O ZINC001277190931 1032330870 /nfs/dbraw/zinc/33/08/70/1032330870.db2.gz AOJJLMPURVBQTD-IAGOWNOFSA-N 0 3 395.341 3.829 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276555 1032717053 /nfs/dbraw/zinc/71/70/53/1032717053.db2.gz MZNKURUIEZRVEO-IBGZPJMESA-N 0 3 398.450 3.566 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276555 1032717066 /nfs/dbraw/zinc/71/70/66/1032717066.db2.gz MZNKURUIEZRVEO-IBGZPJMESA-N 0 3 398.450 3.566 20 10 GHCDHN O=C1CC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)c2ccccc2N1CC1CC1 ZINC001204275199 1032717933 /nfs/dbraw/zinc/71/79/33/1032717933.db2.gz YYHMFIOTRLEBOZ-UHFFFAOYSA-N 0 3 392.499 3.778 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCOC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001140309385 1021371317 /nfs/dbraw/zinc/37/13/17/1021371317.db2.gz DQCTXMGYUDEEJU-QHCPKHFHSA-N 0 3 383.511 3.541 20 10 GHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1ccccc1[O-] ZINC000834900706 1021646608 /nfs/dbraw/zinc/64/66/08/1021646608.db2.gz SLHUJONYMOCWDP-QWHCGFSZSA-N 0 3 382.273 3.796 20 10 GHCDHN COC(=O)c1ccc(CN2CCN(Cc3ccc(Cl)cc3O)[C@H](C)C2)cc1 ZINC001140467519 1021763121 /nfs/dbraw/zinc/76/31/21/1021763121.db2.gz WGSCKYICEFMXAC-OAHLLOKOSA-N 0 3 388.895 3.539 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)[C@H](C)CN1Cc1ccccc1 ZINC001140667128 1022218968 /nfs/dbraw/zinc/21/89/68/1022218968.db2.gz IJSPQIXXEGHILZ-WOJBJXKFSA-N 0 3 397.538 3.757 20 10 GHCDHN CCN(CC)c1ccc(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001140850453 1022696051 /nfs/dbraw/zinc/69/60/51/1022696051.db2.gz LQNBPZYOBLTADP-VQIMIIECSA-N 0 3 389.540 3.680 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c(Cl)c1 ZINC001140923529 1022898219 /nfs/dbraw/zinc/89/82/19/1022898219.db2.gz BFWOVDMCTCQQQV-QFBILLFUSA-N 0 3 390.984 3.959 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c(Cl)c1 ZINC001140924509 1022900883 /nfs/dbraw/zinc/90/08/83/1022900883.db2.gz PQYGLMBRSHPUTQ-HXUWFJFHSA-N 0 3 383.923 3.859 20 10 GHCDHN COc1cccc(OCC2CC[NH+](Cc3c([O-])cc(OC)cc3OC)CC2)c1 ZINC001141028829 1023278925 /nfs/dbraw/zinc/27/89/25/1023278925.db2.gz BECVRPUDGXBISC-UHFFFAOYSA-N 0 3 387.476 3.709 20 10 GHCDHN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141029609 1023281367 /nfs/dbraw/zinc/28/13/67/1023281367.db2.gz XWEDDZXXLJFCFL-HNNXBMFYSA-N 0 3 394.512 3.631 20 10 GHCDHN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141029609 1023281370 /nfs/dbraw/zinc/28/13/70/1023281370.db2.gz XWEDDZXXLJFCFL-HNNXBMFYSA-N 0 3 394.512 3.631 20 10 GHCDHN COc1cc(O)c(CN2CCN([C@@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC001141030731 1023295559 /nfs/dbraw/zinc/29/55/59/1023295559.db2.gz IVHFZZVSKLYCHK-OAQYLSRUSA-N 0 3 382.504 3.605 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3c(C(F)(F)F)nc4n3CCCC4)C2)cc1 ZINC001203089025 1023382182 /nfs/dbraw/zinc/38/21/82/1023382182.db2.gz ACMAJUGEXWFHOJ-CQSZACIVSA-N 0 3 394.441 3.615 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756351371 1023602349 /nfs/dbraw/zinc/60/23/49/1023602349.db2.gz JBWVXGXAHLFAEK-NIKGAXFTSA-N 0 3 388.458 3.882 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756378869 1023619286 /nfs/dbraw/zinc/61/92/86/1023619286.db2.gz JFJGPLMGXJBIEF-AUUYWEPGSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756459627 1023662517 /nfs/dbraw/zinc/66/25/17/1023662517.db2.gz NMUFUHTYWIGXMK-OMWUSAIZSA-N 0 3 384.451 3.987 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756476296 1023674495 /nfs/dbraw/zinc/67/44/95/1023674495.db2.gz RXYCBMJOKXDERU-CCKFTAQKSA-N 0 3 388.458 3.882 20 10 GHCDHN C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000756525904 1023697052 /nfs/dbraw/zinc/69/70/52/1023697052.db2.gz QRPZRUJWRCQLNS-GFCCVEGCSA-N 0 3 395.272 3.765 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756599202 1023729232 /nfs/dbraw/zinc/72/92/32/1023729232.db2.gz XVDITRSNIULNHL-RZAIGCCYSA-N 0 3 381.451 3.508 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c(OC)c1 ZINC001138387638 1024760629 /nfs/dbraw/zinc/76/06/29/1024760629.db2.gz KGJOBPAFRXGZML-XMMPIXPASA-N 0 3 399.579 3.766 20 10 GHCDHN COC[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CCCO1 ZINC000839063597 1025553213 /nfs/dbraw/zinc/55/32/13/1025553213.db2.gz QBKUTJQLAJMAAT-IEBWSBKVSA-N 0 3 397.357 3.723 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1O ZINC000839148692 1025645977 /nfs/dbraw/zinc/64/59/77/1025645977.db2.gz KOXWUHMXWVBCHE-MRXNPFEDSA-N 0 3 389.389 3.915 20 10 GHCDHN COc1cc(Br)cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839192110 1025711651 /nfs/dbraw/zinc/71/16/51/1025711651.db2.gz KZLKPNVQDTXLBX-JKSUJKDBSA-N 0 3 384.314 3.536 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cc(C)ccc3N(C)C)CC2)cc1 ZINC001164336061 1026488999 /nfs/dbraw/zinc/48/89/99/1026488999.db2.gz PRVAGYWWVFFNNK-UHFFFAOYSA-N 0 3 382.552 3.694 20 10 GHCDHN Cc1cc(CN2CCN(c3ccc(-c4ncccn4)cc3)CC2)ccc1N(C)C ZINC001139673547 1026528543 /nfs/dbraw/zinc/52/85/43/1026528543.db2.gz DSMDFKLYWVGRAS-UHFFFAOYSA-N 0 3 387.531 3.840 20 10 GHCDHN O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140054098 1026834094 /nfs/dbraw/zinc/83/40/94/1026834094.db2.gz JIJASTPQPUNTPQ-HSZRJFAPSA-N 0 3 382.479 3.589 20 10 GHCDHN O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140054098 1026834102 /nfs/dbraw/zinc/83/41/02/1026834102.db2.gz JIJASTPQPUNTPQ-HSZRJFAPSA-N 0 3 382.479 3.589 20 10 GHCDHN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140053988 1026834388 /nfs/dbraw/zinc/83/43/88/1026834388.db2.gz HLNRGDUFMZAAHZ-JOCHJYFZSA-N 0 3 386.442 3.685 20 10 GHCDHN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140053988 1026834393 /nfs/dbraw/zinc/83/43/93/1026834393.db2.gz HLNRGDUFMZAAHZ-JOCHJYFZSA-N 0 3 386.442 3.685 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140101243 1026880898 /nfs/dbraw/zinc/88/08/98/1026880898.db2.gz MZRBVFBCFYLJRR-IRXDYDNUSA-N 0 3 387.321 3.719 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c([O-])c1 ZINC001203623132 1027486335 /nfs/dbraw/zinc/48/63/35/1027486335.db2.gz JKAJZVPEENMWJC-UHFFFAOYSA-N 0 3 398.547 3.962 20 10 GHCDHN COc1ccc(C[N@H+](C2CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203634458 1027492608 /nfs/dbraw/zinc/49/26/08/1027492608.db2.gz HCBBMAQJHGALMK-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203634458 1027492613 /nfs/dbraw/zinc/49/26/13/1027492613.db2.gz HCBBMAQJHGALMK-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1ccc(CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(O)c1 ZINC001203635356 1027494613 /nfs/dbraw/zinc/49/46/13/1027494613.db2.gz QSGAFQLAXMNFTR-UHFFFAOYSA-N 0 3 386.492 3.928 20 10 GHCDHN COC(=O)c1ccc(CN2CCN(Cc3cc(Cl)ccc3O)[C@H](C)C2)cc1 ZINC001203664312 1027515834 /nfs/dbraw/zinc/51/58/34/1027515834.db2.gz XXCUPZPRXOJSBY-OAHLLOKOSA-N 0 3 388.895 3.539 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CNCc2cccc(OCC(N)=O)c2)cc1 ZINC001461263591 1069468037 /nfs/dbraw/zinc/46/80/37/1069468037.db2.gz JXJWCTXVKWWTOG-UHFFFAOYSA-N 0 3 395.528 3.538 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3ccc(O)c(O)c3)C2)CC1 ZINC001203873314 1027674205 /nfs/dbraw/zinc/67/42/05/1027674205.db2.gz BUSPGXQAWUCIMP-UHFFFAOYSA-N 0 3 376.497 3.711 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cc1 ZINC001203943681 1027738569 /nfs/dbraw/zinc/73/85/69/1027738569.db2.gz FNGDQGQIKOTDMQ-LJQANCHMSA-N 0 3 381.495 3.902 20 10 GHCDHN COc1ccc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)c1 ZINC000840759647 1027797154 /nfs/dbraw/zinc/79/71/54/1027797154.db2.gz YTAJNETYPCZRTH-HNNXBMFYSA-N 0 3 376.447 3.969 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000840940357 1027974433 /nfs/dbraw/zinc/97/44/33/1027974433.db2.gz XYUPXDSQVVBHSA-UHFFFAOYSA-N 0 3 399.486 3.644 20 10 GHCDHN CCOCc1cc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)ccc1OC ZINC000840972719 1028007209 /nfs/dbraw/zinc/00/72/09/1028007209.db2.gz SENKBZYDBPPGGV-HSZRJFAPSA-N 0 3 399.531 3.852 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC000401138396 1029085391 /nfs/dbraw/zinc/08/53/91/1029085391.db2.gz XDCQEOPTOVWNPC-IXDOHACOSA-N 0 3 376.497 3.526 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1ccc(C(F)(F)F)cc1 ZINC000842927463 1029692151 /nfs/dbraw/zinc/69/21/51/1029692151.db2.gz PONMWENVPHQIRT-NVXWUHKLSA-N 0 3 392.421 3.593 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C3CCC3)cn2)N(C)C)cc1 ZINC001218925863 1031154292 /nfs/dbraw/zinc/15/42/92/1031154292.db2.gz YQFUFRWSXMZNFC-HXUWFJFHSA-N 0 3 381.524 3.840 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c1O ZINC001277066879 1031563222 /nfs/dbraw/zinc/56/32/22/1031563222.db2.gz JSWHZBVYWUVIJL-IAGOWNOFSA-N 0 3 378.900 3.586 20 10 GHCDHN COc1cccc([C@H](N)CC(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001157433184 1033584195 /nfs/dbraw/zinc/58/41/95/1033584195.db2.gz IRSNJLGGYANWKW-XMSQKQJNSA-N 0 3 382.504 3.847 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1csc([C@H]2CCCN2)n1 ZINC001157434257 1033586073 /nfs/dbraw/zinc/58/60/73/1033586073.db2.gz OCZLVRRSQRRMSH-KDOFPFPSSA-N 0 3 385.533 3.943 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4C)C3)C2)cc1 ZINC001205835521 1033599129 /nfs/dbraw/zinc/59/91/29/1033599129.db2.gz SCUFYKQJWMXWSR-HSZRJFAPSA-N 0 3 381.520 3.518 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c1[O-] ZINC001277436879 1033835462 /nfs/dbraw/zinc/83/54/62/1033835462.db2.gz BXYSLBYCPMRMOI-AWEZNQCLSA-N 0 3 390.833 3.635 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1F ZINC001230456395 1034069850 /nfs/dbraw/zinc/06/98/50/1034069850.db2.gz FMDNFSCIFIZJKI-NHCUHLMSSA-N 0 3 386.515 3.945 20 10 GHCDHN COc1cc(C)c(CNCc2ccc(Br)cc2[N+](=O)[O-])c(O)c1 ZINC001207333115 1034282401 /nfs/dbraw/zinc/28/24/01/1034282401.db2.gz AMCBUZXDZNVMNM-UHFFFAOYSA-N 0 3 381.226 3.670 20 10 GHCDHN CC(C)NC(=O)N[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231468656 1034613680 /nfs/dbraw/zinc/61/36/80/1034613680.db2.gz DVJZHWRVKUBXDH-FQEVSTJZSA-N 0 3 397.519 3.643 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001231468544 1034614610 /nfs/dbraw/zinc/61/46/10/1034614610.db2.gz YBBPDCCKECWJNM-AEFFLSMTSA-N 0 3 381.394 3.574 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001231468544 1034614620 /nfs/dbraw/zinc/61/46/20/1034614620.db2.gz YBBPDCCKECWJNM-AEFFLSMTSA-N 0 3 381.394 3.574 20 10 GHCDHN OC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1C(F)(F)F ZINC001231468544 1034614626 /nfs/dbraw/zinc/61/46/26/1034614626.db2.gz YBBPDCCKECWJNM-AEFFLSMTSA-N 0 3 381.394 3.574 20 10 GHCDHN O=C(N[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1)C1CCC1 ZINC001231469686 1034615411 /nfs/dbraw/zinc/61/54/11/1034615411.db2.gz QYMJENBJMZIAHQ-OAQYLSRUSA-N 0 3 394.515 3.852 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001231588998 1034744125 /nfs/dbraw/zinc/74/41/25/1034744125.db2.gz UXSSCLSWNMKSLV-XXBNENTESA-N 0 3 376.456 3.753 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001231588998 1034744138 /nfs/dbraw/zinc/74/41/38/1034744138.db2.gz UXSSCLSWNMKSLV-XXBNENTESA-N 0 3 376.456 3.753 20 10 GHCDHN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589798 1034744258 /nfs/dbraw/zinc/74/42/58/1034744258.db2.gz RBCZQQGJQUHBFV-MRXNPFEDSA-N 0 3 376.431 3.915 20 10 GHCDHN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589798 1034744271 /nfs/dbraw/zinc/74/42/71/1034744271.db2.gz RBCZQQGJQUHBFV-MRXNPFEDSA-N 0 3 376.431 3.915 20 10 GHCDHN Cc1cccc(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1O ZINC001231592966 1034747922 /nfs/dbraw/zinc/74/79/22/1034747922.db2.gz MDNVFZWHGSPHRK-UHFFFAOYSA-N 0 3 377.488 3.879 20 10 GHCDHN Cc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1O ZINC001231594632 1034749712 /nfs/dbraw/zinc/74/97/12/1034749712.db2.gz LYXLWMMTIUPXOD-HUUCEWRRSA-N 0 3 388.430 3.978 20 10 GHCDHN Cc1cc(C)c(CN(C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001231846832 1034940271 /nfs/dbraw/zinc/94/02/71/1034940271.db2.gz QRSSNVJVYRYHGB-UHFFFAOYSA-N 0 3 390.524 3.609 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001231848952 1034940784 /nfs/dbraw/zinc/94/07/84/1034940784.db2.gz LWHKODSOZKKZMG-FUHWJXTLSA-N 0 3 391.556 3.744 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001231851556 1034942713 /nfs/dbraw/zinc/94/27/13/1034942713.db2.gz JCBMWRLKTZECND-QFIPXVFZSA-N 0 3 389.540 3.594 20 10 GHCDHN COc1cc(I)cc(CN2CCCC[C@@H](C)C2)c1O ZINC001248390680 1035801410 /nfs/dbraw/zinc/80/14/10/1035801410.db2.gz BLBLKOFLBUFWNV-LLVKDONJSA-N 0 3 375.250 3.627 20 10 GHCDHN CC(C)CN(Cc1cc(O)c(O)c(O)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233016375 1038769847 /nfs/dbraw/zinc/76/98/47/1038769847.db2.gz UZGMNKSTIUQXBI-MRXNPFEDSA-N 0 3 394.512 3.661 20 10 GHCDHN COC[C@@H]1COCCC12CC[NH+](Cc1cc(Br)cc(C)c1[O-])CC2 ZINC001233109079 1038897425 /nfs/dbraw/zinc/89/74/25/1038897425.db2.gz SXBGVBKJWRSFOY-MRXNPFEDSA-N 0 3 398.341 3.728 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001233110869 1038901871 /nfs/dbraw/zinc/90/18/71/1038901871.db2.gz UMQBPTXIMSYZJU-KRWDZBQOSA-N 0 3 377.282 3.902 20 10 GHCDHN CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754292 1039592713 /nfs/dbraw/zinc/59/27/13/1039592713.db2.gz CLRDNLSQRJMWQS-ZDUSSCGKSA-N 0 3 375.387 3.845 20 10 GHCDHN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754292 1039592719 /nfs/dbraw/zinc/59/27/19/1039592719.db2.gz CLRDNLSQRJMWQS-ZDUSSCGKSA-N 0 3 375.387 3.845 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(c4ncccc4C)CC3)c2c1 ZINC001234552875 1040122253 /nfs/dbraw/zinc/12/22/53/1040122253.db2.gz NDCRSVCKXSFOIW-UHFFFAOYSA-N 0 3 377.488 3.970 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(c4ncccc4C)CC3)c2c1 ZINC001234552875 1040122255 /nfs/dbraw/zinc/12/22/55/1040122255.db2.gz NDCRSVCKXSFOIW-UHFFFAOYSA-N 0 3 377.488 3.970 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](Oc4ncccc4OC)C3)c2c1 ZINC001234570400 1040139016 /nfs/dbraw/zinc/13/90/16/1040139016.db2.gz ZJVKECUUWAFEKA-KRWDZBQOSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](Oc4ncccc4OC)C3)c2c1 ZINC001234570400 1040139026 /nfs/dbraw/zinc/13/90/26/1040139026.db2.gz ZJVKECUUWAFEKA-KRWDZBQOSA-N 0 3 380.444 3.611 20 10 GHCDHN CCN1CCN(c2ccc(OC3CCN(c4cc(C)ccn4)CC3)cc2)CC1 ZINC001234662063 1040197230 /nfs/dbraw/zinc/19/72/30/1040197230.db2.gz YQCRHLKJOIVCFY-UHFFFAOYSA-N 0 3 380.536 3.580 20 10 GHCDHN COCC[N@H+](Cc1cccc(-c2ccccc2)c1[O-])C1CCN(C(C)=O)CC1 ZINC001234995553 1040490294 /nfs/dbraw/zinc/49/02/94/1040490294.db2.gz MWJLBCVZPJKRCK-UHFFFAOYSA-N 0 3 382.504 3.519 20 10 GHCDHN COCC[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])C1CCN(C(C)=O)CC1 ZINC001234995553 1040490300 /nfs/dbraw/zinc/49/03/00/1040490300.db2.gz MWJLBCVZPJKRCK-UHFFFAOYSA-N 0 3 382.504 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+]Cc3cccc(O)c3[O-])C2)CC1 ZINC001254732865 1040490738 /nfs/dbraw/zinc/49/07/38/1040490738.db2.gz FTIUTEWHECZTPC-MRXNPFEDSA-N 0 3 376.497 3.757 20 10 GHCDHN CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234997974 1040492613 /nfs/dbraw/zinc/49/26/13/1040492613.db2.gz GOPNXOXNLMDHDB-UHFFFAOYSA-N 0 3 399.487 3.768 20 10 GHCDHN Cc1nnc(-c2ccc(CN(C)Cc3ccc(N4CCOCC4)cc3)cc2)o1 ZINC001235053126 1040544051 /nfs/dbraw/zinc/54/40/51/1040544051.db2.gz WINMAERJHPFTPH-UHFFFAOYSA-N 0 3 378.476 3.514 20 10 GHCDHN Cc1cc(CN2CCN[C@H](c3cccc(Br)c3)C2)ccc1N(C)C ZINC001235794313 1041291645 /nfs/dbraw/zinc/29/16/45/1041291645.db2.gz UZFPJNGETGTYKH-IBGZPJMESA-N 0 3 388.353 3.970 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)N(C)C)cc1 ZINC001256232134 1041668124 /nfs/dbraw/zinc/66/81/24/1041668124.db2.gz LEYHQFNPKUVPBY-VXKWHMMOSA-N 0 3 380.536 3.684 20 10 GHCDHN COc1cc([O-])c(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c(Br)c1 ZINC001236662537 1041811024 /nfs/dbraw/zinc/81/10/24/1041811024.db2.gz KMFKMOAJUBSXKG-AWEZNQCLSA-N 0 3 383.330 3.660 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCC[C@@H](Oc2cnccn2)C1 ZINC001236781778 1041889464 /nfs/dbraw/zinc/88/94/64/1041889464.db2.gz HPYFRFLAKFOVNA-OAQYLSRUSA-N 0 3 391.471 3.805 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001236783525 1041889578 /nfs/dbraw/zinc/88/95/78/1041889578.db2.gz UCDMVXQDQCUKFE-FQEVSTJZSA-N 0 3 395.434 3.554 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c([O-])c1 ZINC001236787277 1041893370 /nfs/dbraw/zinc/89/33/70/1041893370.db2.gz KCWNQMJLRKJSBF-XUZZJYLKSA-N 0 3 394.515 3.508 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c([O-])c1 ZINC001236787277 1041893379 /nfs/dbraw/zinc/89/33/79/1041893379.db2.gz KCWNQMJLRKJSBF-XUZZJYLKSA-N 0 3 394.515 3.508 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788710 1041894408 /nfs/dbraw/zinc/89/44/08/1041894408.db2.gz NPBHUJSICOSGEX-RPWUZVMVSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788710 1041894412 /nfs/dbraw/zinc/89/44/12/1041894412.db2.gz NPBHUJSICOSGEX-RPWUZVMVSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001236789822 1041895515 /nfs/dbraw/zinc/89/55/15/1041895515.db2.gz SKPSWSGASPCFRP-MQSCRBSSSA-N 0 3 382.504 3.688 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001236789822 1041895518 /nfs/dbraw/zinc/89/55/18/1041895518.db2.gz SKPSWSGASPCFRP-MQSCRBSSSA-N 0 3 382.504 3.688 20 10 GHCDHN CCc1ccc(CN2CCN(c3cc(C)nn3-c3ccccc3)CC2)c(O)c1 ZINC001236793513 1041898069 /nfs/dbraw/zinc/89/80/69/1041898069.db2.gz XMSUDOQTNLFAHB-UHFFFAOYSA-N 0 3 376.504 3.771 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)c([O-])c1 ZINC001236807640 1041909092 /nfs/dbraw/zinc/90/90/92/1041909092.db2.gz GZFRQXUESHIWNP-UHFFFAOYSA-N 0 3 384.476 3.573 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821686 1041916851 /nfs/dbraw/zinc/91/68/51/1041916851.db2.gz SKJLDXJGFNCVLE-MSOLQXFVSA-N 0 3 378.513 3.977 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821686 1041916854 /nfs/dbraw/zinc/91/68/54/1041916854.db2.gz SKJLDXJGFNCVLE-MSOLQXFVSA-N 0 3 378.513 3.977 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236828736 1041919746 /nfs/dbraw/zinc/91/97/46/1041919746.db2.gz CUYPFFCBJRUIAZ-DEOSSOPVSA-N 0 3 387.483 3.565 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236828736 1041919751 /nfs/dbraw/zinc/91/97/51/1041919751.db2.gz CUYPFFCBJRUIAZ-DEOSSOPVSA-N 0 3 387.483 3.565 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236828737 1041919947 /nfs/dbraw/zinc/91/99/47/1041919947.db2.gz CUYPFFCBJRUIAZ-XMMPIXPASA-N 0 3 387.483 3.565 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236828737 1041919949 /nfs/dbraw/zinc/91/99/49/1041919949.db2.gz CUYPFFCBJRUIAZ-XMMPIXPASA-N 0 3 387.483 3.565 20 10 GHCDHN COc1ccccc1C(=O)NC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236838233 1041923634 /nfs/dbraw/zinc/92/36/34/1041923634.db2.gz XILYHGYHMHDVRK-UHFFFAOYSA-N 0 3 390.483 3.948 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CCCC3(C)C)cc2C1 ZINC001236844241 1041925653 /nfs/dbraw/zinc/92/56/53/1041925653.db2.gz XNLZYPAZYNHUQY-UHFFFAOYSA-N 0 3 376.497 3.896 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CCCC3(C)C)cc2C1 ZINC001236844241 1041925654 /nfs/dbraw/zinc/92/56/54/1041925654.db2.gz XNLZYPAZYNHUQY-UHFFFAOYSA-N 0 3 376.497 3.896 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c([O-])c1 ZINC001237046431 1042004945 /nfs/dbraw/zinc/00/49/45/1042004945.db2.gz CARKUFQQFSVYAB-SFHVURJKSA-N 0 3 381.476 3.803 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c([O-])c1 ZINC001237046431 1042004952 /nfs/dbraw/zinc/00/49/52/1042004952.db2.gz CARKUFQQFSVYAB-SFHVURJKSA-N 0 3 381.476 3.803 20 10 GHCDHN CCOc1ccc(CN2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c(O)c1 ZINC001237046431 1042004958 /nfs/dbraw/zinc/00/49/58/1042004958.db2.gz CARKUFQQFSVYAB-SFHVURJKSA-N 0 3 381.476 3.803 20 10 GHCDHN CC(C)c1ccc(CN2CCN(c3ccc(Br)cn3)CC2)c(O)c1 ZINC001237046722 1042006759 /nfs/dbraw/zinc/00/67/59/1042006759.db2.gz WMPISPFIITXIGV-UHFFFAOYSA-N 0 3 390.325 3.995 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1C ZINC001237058736 1042013839 /nfs/dbraw/zinc/01/38/39/1042013839.db2.gz BOFUGJYWSYHKQT-KGLIPLIRSA-N 0 3 389.414 3.745 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1C ZINC001237058736 1042013842 /nfs/dbraw/zinc/01/38/42/1042013842.db2.gz BOFUGJYWSYHKQT-KGLIPLIRSA-N 0 3 389.414 3.745 20 10 GHCDHN CCC(=O)N(CC)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237062461 1042016543 /nfs/dbraw/zinc/01/65/43/1042016543.db2.gz OVWOYLCJDXACJH-UHFFFAOYSA-N 0 3 388.430 3.556 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001237081422 1042026595 /nfs/dbraw/zinc/02/65/95/1042026595.db2.gz XKVPCBHFHHJTJY-OKILXGFUSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001237081422 1042026598 /nfs/dbraw/zinc/02/65/98/1042026598.db2.gz XKVPCBHFHHJTJY-OKILXGFUSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001237081422 1042026605 /nfs/dbraw/zinc/02/66/05/1042026605.db2.gz XKVPCBHFHHJTJY-OKILXGFUSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001237081422 1042026609 /nfs/dbraw/zinc/02/66/09/1042026609.db2.gz XKVPCBHFHHJTJY-OKILXGFUSA-N 0 3 378.303 3.658 20 10 GHCDHN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137577 1042059298 /nfs/dbraw/zinc/05/92/98/1042059298.db2.gz RSYWTAVOBNPDEN-FXAWDEMLSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137577 1042059304 /nfs/dbraw/zinc/05/93/04/1042059304.db2.gz RSYWTAVOBNPDEN-FXAWDEMLSA-N 0 3 390.405 3.517 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4c3CCN4)CC2)cc1 ZINC001237206409 1042090637 /nfs/dbraw/zinc/09/06/37/1042090637.db2.gz VAGMYOBIOFBVNF-UHFFFAOYSA-N 0 3 377.410 3.875 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001237486156 1042229718 /nfs/dbraw/zinc/22/97/18/1042229718.db2.gz WLUHMXXSLVWEDG-RXVVDRJESA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001237486156 1042229724 /nfs/dbraw/zinc/22/97/24/1042229724.db2.gz WLUHMXXSLVWEDG-RXVVDRJESA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1Br ZINC001237679793 1042320445 /nfs/dbraw/zinc/32/04/45/1042320445.db2.gz ULBUXRHGYVJUJB-ZDUSSCGKSA-N 0 3 399.329 3.810 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1Br ZINC001237679793 1042320450 /nfs/dbraw/zinc/32/04/50/1042320450.db2.gz ULBUXRHGYVJUJB-ZDUSSCGKSA-N 0 3 399.329 3.810 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1[O-] ZINC001237687205 1042327720 /nfs/dbraw/zinc/32/77/20/1042327720.db2.gz WUBXLLAUXLABFF-VAMGGRTRSA-N 0 3 388.895 3.950 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1[O-] ZINC001237687205 1042327724 /nfs/dbraw/zinc/32/77/24/1042327724.db2.gz WUBXLLAUXLABFF-VAMGGRTRSA-N 0 3 388.895 3.950 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1[O-] ZINC001237688016 1042327829 /nfs/dbraw/zinc/32/78/29/1042327829.db2.gz ZLFLJEGMXGIHQP-UHFFFAOYSA-N 0 3 380.879 3.807 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1[O-] ZINC001237688016 1042327837 /nfs/dbraw/zinc/32/78/37/1042327837.db2.gz ZLFLJEGMXGIHQP-UHFFFAOYSA-N 0 3 380.879 3.807 20 10 GHCDHN Cc1cc(Cl)cc(CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1O ZINC001237690119 1042328790 /nfs/dbraw/zinc/32/87/90/1042328790.db2.gz MEWKDKHICMZIOA-HXUWFJFHSA-N 0 3 396.915 3.566 20 10 GHCDHN O=c1oc2ccccc2n1C1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237938002 1042429038 /nfs/dbraw/zinc/42/90/38/1042429038.db2.gz WFIYSYVBFJLPTR-UHFFFAOYSA-N 0 3 376.815 3.930 20 10 GHCDHN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849759 1048232236 /nfs/dbraw/zinc/23/22/36/1048232236.db2.gz WZYUZAPDLCLUPU-KRWDZBQOSA-N 0 3 382.464 3.853 20 10 GHCDHN Cc1ccc(OCCCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001289599423 1049556346 /nfs/dbraw/zinc/55/63/46/1049556346.db2.gz AYPSWIRVLBVIEV-QFIPXVFZSA-N 0 3 383.536 3.639 20 10 GHCDHN COc1ccc(CN2CCN(c3cccc4cnccc43)C[C@H]2C)c(O)c1OC ZINC001308727064 1050072868 /nfs/dbraw/zinc/07/28/68/1050072868.db2.gz PZMJBXZFNBMQEB-MRXNPFEDSA-N 0 3 393.487 3.668 20 10 GHCDHN O=C1[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCN1C1CCCCC1 ZINC001308878817 1050136581 /nfs/dbraw/zinc/13/65/81/1050136581.db2.gz MRFGRKQJHLVQPT-JOCHJYFZSA-N 0 3 394.515 3.994 20 10 GHCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001308971794 1050233800 /nfs/dbraw/zinc/23/38/00/1050233800.db2.gz WGQJPLIAXKSDBX-INIZCTEOSA-N 0 3 378.513 3.979 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(-c4cnco4)cc3)cc2F)CC1 ZINC001336326543 1052258407 /nfs/dbraw/zinc/25/84/07/1052258407.db2.gz XBJSXUQRTRTOMF-UHFFFAOYSA-N 0 3 380.467 3.522 20 10 GHCDHN CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323281758 1056948346 /nfs/dbraw/zinc/94/83/46/1056948346.db2.gz KRBIMHXMBUBLLE-UHFFFAOYSA-N 0 3 393.453 3.811 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1[O-] ZINC000848524841 1057149021 /nfs/dbraw/zinc/14/90/21/1057149021.db2.gz ICKYDDRFFJCFOV-ZDUSSCGKSA-N 0 3 399.329 3.607 20 10 GHCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])c1 ZINC000848527628 1057150761 /nfs/dbraw/zinc/15/07/61/1057150761.db2.gz DEACZLXLNBMVIA-BDJLRTHQSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCCn2ccnc2C)c1[O-] ZINC000848529670 1057152758 /nfs/dbraw/zinc/15/27/58/1057152758.db2.gz PRTCVPUFQGGFDP-GFCCVEGCSA-N 0 3 382.302 3.799 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000848533955 1057155358 /nfs/dbraw/zinc/15/53/58/1057155358.db2.gz OJISGLARUABLEC-BGJPBQGDSA-N 0 3 398.322 3.752 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000848536291 1057157193 /nfs/dbraw/zinc/15/71/93/1057157193.db2.gz NIQKOBRATUWBIT-LLVKDONJSA-N 0 3 395.253 3.965 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000848553382 1057174205 /nfs/dbraw/zinc/17/42/05/1057174205.db2.gz LEEFJJXSGXSVOQ-IAQYHMDHSA-N 0 3 398.272 3.557 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c(Cl)nc2Cl)N(C)C)cc1 ZINC001439958956 1058363444 /nfs/dbraw/zinc/36/34/44/1058363444.db2.gz AALBYSSIIAHROA-HNNXBMFYSA-N 0 3 399.297 3.626 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2SCCc3sccc32)N(C)C)cc1 ZINC001439960512 1058366554 /nfs/dbraw/zinc/36/65/54/1058366554.db2.gz MCFNJOXJWMEILY-PKOBYXMFSA-N 0 3 389.590 3.564 20 10 GHCDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001442733449 1058999619 /nfs/dbraw/zinc/99/96/19/1058999619.db2.gz ZDFDVRLXTCCOTL-UHFFFAOYSA-N 0 3 387.871 3.706 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCN2CCC(C)CC2)ccc1C ZINC001464160053 1064876552 /nfs/dbraw/zinc/87/65/52/1064876552.db2.gz PWIPYKQDIBAQPS-UHFFFAOYSA-N 0 3 381.520 3.677 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCOc3ccccc32)N(C)C)cc1 ZINC001468504620 1067754654 /nfs/dbraw/zinc/75/46/54/1067754654.db2.gz OOWRDADGDTYYRX-LEWJYISDSA-N 0 3 396.535 3.568 20 10 GHCDHN Cc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc([N+](=O)[O-])c1 ZINC000767381512 1068185457 /nfs/dbraw/zinc/18/54/57/1068185457.db2.gz CEXHDMQWCQWTFW-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)[C@@H]3CCCN(C)C3)cc2Cl)C1 ZINC001478528523 1078906328 /nfs/dbraw/zinc/90/63/28/1078906328.db2.gz PEECJERFVPGHTP-FUHWJXTLSA-N 0 3 392.975 3.812 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](c3cccc(F)c3)C2)N(C)C)cc1 ZINC001471547939 1073126795 /nfs/dbraw/zinc/12/67/95/1073126795.db2.gz QBIMYUZSHDDNKE-KNQAVFIVSA-N 0 3 398.526 3.694 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2N)N(C)C)cc1 ZINC001472281106 1073397034 /nfs/dbraw/zinc/39/70/34/1073397034.db2.gz QFSGPMUAACPMJU-QGZVFWFLSA-N 0 3 395.334 3.674 20 10 GHCDHN CC[C@](C)(NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001479535703 1079224694 /nfs/dbraw/zinc/22/46/94/1079224694.db2.gz WZRLKWOANGICFJ-GGAORHGYSA-N 0 3 382.552 3.980 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(Cc3ccc(F)cc3)CC2)N(C)C)cc1 ZINC001479535789 1079224728 /nfs/dbraw/zinc/22/47/28/1079224728.db2.gz YQWADNBMZPJLNT-OAQYLSRUSA-N 0 3 398.526 3.569 20 10 GHCDHN Cc1ccc(CC2CN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)C2)cc1 ZINC001479535537 1079224804 /nfs/dbraw/zinc/22/48/04/1079224804.db2.gz VXIQUWPYHRBFTC-QHCPKHFHSA-N 0 3 394.563 3.548 20 10 GHCDHN CN(Cc1ccccc1O)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001479543633 1079226430 /nfs/dbraw/zinc/22/64/30/1079226430.db2.gz UIKGOODRRAIZPV-UHFFFAOYSA-N 0 3 389.499 3.913 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c([O-])c1 ZINC001474575041 1074469162 /nfs/dbraw/zinc/46/91/62/1074469162.db2.gz VNQVVZXHVDAWTK-OAQYLSRUSA-N 0 3 377.431 3.933 20 10 GHCDHN CCOCc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OC ZINC001655608381 1126255472 /nfs/dbraw/zinc/25/54/72/1126255472.db2.gz CZLOJXHMPUVZOZ-AZUAARDMSA-N 0 3 397.437 3.856 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821610955 606961885 /nfs/dbraw/zinc/96/18/85/606961885.db2.gz LLVWQHFZUXVLFF-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821610955 606961886 /nfs/dbraw/zinc/96/18/86/606961886.db2.gz LLVWQHFZUXVLFF-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821610955 606961887 /nfs/dbraw/zinc/96/18/87/606961887.db2.gz LLVWQHFZUXVLFF-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821610955 606961888 /nfs/dbraw/zinc/96/18/88/606961888.db2.gz LLVWQHFZUXVLFF-UHFFFAOYSA-N 0 3 380.471 3.628 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000162000932 835508203 /nfs/dbraw/zinc/50/82/03/835508203.db2.gz ANHPYDLRRKUPFG-LAUBAEHRSA-N 0 3 397.494 3.509 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccccc1[O-] ZINC000155507148 838360449 /nfs/dbraw/zinc/36/04/49/838360449.db2.gz ZFJUWJRJFQOUAZ-HXUWFJFHSA-N 0 3 382.504 3.675 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178253668 838465108 /nfs/dbraw/zinc/46/51/08/838465108.db2.gz MCOGVFZPSHFXTA-LAUBAEHRSA-N 0 3 397.494 3.509 20 10 GHCDHN Cc1occ(C(F)(F)F)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248530 839319695 /nfs/dbraw/zinc/31/96/95/839319695.db2.gz YESRUXXSSVZHIP-MRXNPFEDSA-N 0 3 383.414 3.706 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2snc(Cl)c2Cl)N(C)C)cc1 ZINC000891248885 839328776 /nfs/dbraw/zinc/32/87/76/839328776.db2.gz ODKPVDVFRNTDKX-GFCCVEGCSA-N 0 3 387.336 3.549 20 10 GHCDHN Fc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCO2)c1 ZINC000092666889 841556514 /nfs/dbraw/zinc/55/65/14/841556514.db2.gz MVITWBSCPPNTCK-QHCPKHFHSA-N 0 3 384.495 3.844 20 10 GHCDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588459294 843544502 /nfs/dbraw/zinc/54/45/02/843544502.db2.gz URKRJUMNDHHXIH-RBUKOAKNSA-N 0 3 379.464 3.674 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000472219674 846910683 /nfs/dbraw/zinc/91/06/83/846910683.db2.gz HAUQRIWAHFGNHH-UHFFFAOYSA-N 0 3 394.519 3.886 20 10 GHCDHN C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000065598087 848318464 /nfs/dbraw/zinc/31/84/64/848318464.db2.gz SFYHTLZKLSBAGG-IBGZPJMESA-N 0 3 393.531 3.610 20 10 GHCDHN O=c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)nc2ccc(Cl)cn12 ZINC000731847143 861905988 /nfs/dbraw/zinc/90/59/88/861905988.db2.gz DYFSLZFJPOEVSI-UHFFFAOYSA-N 0 3 383.879 3.998 20 10 GHCDHN O=c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)nc2ccc(Cl)cn12 ZINC000731847143 861905997 /nfs/dbraw/zinc/90/59/97/861905997.db2.gz DYFSLZFJPOEVSI-UHFFFAOYSA-N 0 3 383.879 3.998 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000161518634 849025007 /nfs/dbraw/zinc/02/50/07/849025007.db2.gz DNDLIALQZJYEIM-IRXDYDNUSA-N 0 3 389.565 3.805 20 10 GHCDHN COc1ccc(N2CCC(NCc3nccn3CCc3ccccc3)CC2)cc1 ZINC000164277848 853800798 /nfs/dbraw/zinc/80/07/98/853800798.db2.gz OXHHWLCDWNDBIU-UHFFFAOYSA-N 0 3 390.531 3.893 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165174178 854748600 /nfs/dbraw/zinc/74/86/00/854748600.db2.gz CXBLMXIEYRFHOW-OAHLLOKOSA-N 0 3 397.494 3.743 20 10 GHCDHN Cc1ccccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000139818300 856089209 /nfs/dbraw/zinc/08/92/09/856089209.db2.gz QUZWJHMSWZDICB-UHFFFAOYSA-N 0 3 391.494 3.541 20 10 GHCDHN CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000160453869 858919337 /nfs/dbraw/zinc/91/93/37/858919337.db2.gz XTDPHXYJDUGKKZ-LJQANCHMSA-N 0 3 387.911 3.758 20 10 GHCDHN CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000160530767 858991597 /nfs/dbraw/zinc/99/15/97/858991597.db2.gz CUHSPACYRIEQKQ-FQEVSTJZSA-N 0 3 388.552 3.658 20 10 GHCDHN CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000160530767 858991599 /nfs/dbraw/zinc/99/15/99/858991599.db2.gz CUHSPACYRIEQKQ-FQEVSTJZSA-N 0 3 388.552 3.658 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837414 859999303 /nfs/dbraw/zinc/99/93/03/859999303.db2.gz UXHVPEIHSVFFNO-LJQANCHMSA-N 0 3 381.394 3.718 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837414 859999306 /nfs/dbraw/zinc/99/93/06/859999306.db2.gz UXHVPEIHSVFFNO-LJQANCHMSA-N 0 3 381.394 3.718 20 10 GHCDHN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895837414 859999308 /nfs/dbraw/zinc/99/93/08/859999308.db2.gz UXHVPEIHSVFFNO-LJQANCHMSA-N 0 3 381.394 3.718 20 10 GHCDHN COC[C@@H](NCc1ccc(OC)c(OC)c1O)c1cccc(Br)c1 ZINC000895852505 860006998 /nfs/dbraw/zinc/00/69/98/860006998.db2.gz GZEMGEIIAPBTPV-OAHLLOKOSA-N 0 3 396.281 3.649 20 10 GHCDHN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(OC)c3[O-])C2)n1 ZINC000922865297 860677941 /nfs/dbraw/zinc/67/79/41/860677941.db2.gz IWRZCRBZYRNFAC-GXFFZTMASA-N 0 3 396.285 3.535 20 10 GHCDHN C[C@H]1CN(CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000763663644 864164663 /nfs/dbraw/zinc/16/46/63/864164663.db2.gz WVLQIBQNVZLGAO-IBGZPJMESA-N 0 3 384.520 3.562 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000734527120 864279464 /nfs/dbraw/zinc/27/94/64/864279464.db2.gz XRZIGAURMUYZEN-NQIIRXRSSA-N 0 3 380.536 3.696 20 10 GHCDHN COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000747100469 881921062 /nfs/dbraw/zinc/92/10/62/881921062.db2.gz IMRSOUOUXKWXFR-MRXNPFEDSA-N 0 3 380.282 3.511 20 10 GHCDHN O=C1CCCCN1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183105913 866215971 /nfs/dbraw/zinc/21/59/71/866215971.db2.gz BFVBJUQWEKYROU-UHFFFAOYSA-N 0 3 394.515 3.948 20 10 GHCDHN Cn1c(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccc21 ZINC000174621909 866524930 /nfs/dbraw/zinc/52/49/30/866524930.db2.gz IOBHUAGJVCYYBM-HNNXBMFYSA-N 0 3 386.446 3.933 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N(C)C)cc1 ZINC000743589023 868289983 /nfs/dbraw/zinc/28/99/83/868289983.db2.gz OFCYXRYFCBYGKW-OAQYLSRUSA-N 0 3 381.520 3.682 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H](c1cccs1)N1CCCC1 ZINC000745297106 869440361 /nfs/dbraw/zinc/44/03/61/869440361.db2.gz JZQBQIQYMSIYBP-IBGZPJMESA-N 0 3 399.560 3.969 20 10 GHCDHN CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000745436523 869558786 /nfs/dbraw/zinc/55/87/86/869558786.db2.gz NNFMUEHWEBKRPP-UHFFFAOYSA-N 0 3 394.471 3.904 20 10 GHCDHN CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000745436523 869558793 /nfs/dbraw/zinc/55/87/93/869558793.db2.gz NNFMUEHWEBKRPP-UHFFFAOYSA-N 0 3 394.471 3.904 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1F ZINC000793606831 882315766 /nfs/dbraw/zinc/31/57/66/882315766.db2.gz ZIKQMBZBILJFBG-NRFANRHFSA-N 0 3 377.504 3.725 20 10 GHCDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000069754548 871471702 /nfs/dbraw/zinc/47/17/02/871471702.db2.gz VHMMQAYQYHEIKA-QFIPXVFZSA-N 0 3 395.547 3.995 20 10 GHCDHN CCN(C(=O)CN[C@H](C)c1cc(OC)ccc1O)c1nc2ccccc2s1 ZINC000182416928 872336749 /nfs/dbraw/zinc/33/67/49/872336749.db2.gz MKFSKANDTAFZJL-CYBMUJFWSA-N 0 3 385.489 3.714 20 10 GHCDHN CN1CCN(c2ccc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000775650821 872347019 /nfs/dbraw/zinc/34/70/19/872347019.db2.gz WRTFIFYWCYLOEF-JOCHJYFZSA-N 0 3 385.939 3.665 20 10 GHCDHN CC(C)[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)CC1 ZINC000768014859 873026221 /nfs/dbraw/zinc/02/62/21/873026221.db2.gz AIKBXQWWGSKWBD-UHFFFAOYSA-N 0 3 399.560 3.507 20 10 GHCDHN CC(C)([NH2+]Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccc(Br)cc1 ZINC000768444510 873308160 /nfs/dbraw/zinc/30/81/60/873308160.db2.gz LZIASPITGZTDOR-INIZCTEOSA-N 0 3 378.266 3.605 20 10 GHCDHN CCOc1ccc(O)c(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000768528198 873361396 /nfs/dbraw/zinc/36/13/96/873361396.db2.gz KYJOKUDVZMNEOT-IBGZPJMESA-N 0 3 383.492 3.967 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)NCc1ccc(COc2ccccc2)cc1)c1ccccc1[O-] ZINC001197004480 873524028 /nfs/dbraw/zinc/52/40/28/873524028.db2.gz SYOAURZNEPDSNS-GOSISDBHSA-N 0 3 390.483 3.938 20 10 GHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000769320501 873964008 /nfs/dbraw/zinc/96/40/08/873964008.db2.gz REHKDFGHLQSRDQ-LJQANCHMSA-N 0 3 384.520 3.514 20 10 GHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000769320501 873964019 /nfs/dbraw/zinc/96/40/19/873964019.db2.gz REHKDFGHLQSRDQ-LJQANCHMSA-N 0 3 384.520 3.514 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N(C)C)cc1 ZINC000775830294 874269715 /nfs/dbraw/zinc/26/97/15/874269715.db2.gz HDRCXQSARHCGTF-GFCCVEGCSA-N 0 3 376.844 3.604 20 10 GHCDHN CC(C)OCc1cccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833944 874344012 /nfs/dbraw/zinc/34/40/12/874344012.db2.gz HZPVPAHWFWKWMJ-SFHVURJKSA-N 0 3 383.536 3.645 20 10 GHCDHN CCOC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC000770148043 874500335 /nfs/dbraw/zinc/50/03/35/874500335.db2.gz NTXVVODOOPNFPZ-UHFFFAOYSA-N 0 3 396.491 3.649 20 10 GHCDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000770443255 874686402 /nfs/dbraw/zinc/68/64/02/874686402.db2.gz DQYPCGSAZJWNFN-NRFANRHFSA-N 0 3 382.504 3.553 20 10 GHCDHN Cc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000105324089 875244216 /nfs/dbraw/zinc/24/42/16/875244216.db2.gz JJRINSJLCNGYQP-UHFFFAOYSA-N 0 3 392.503 3.819 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000771935200 875558277 /nfs/dbraw/zinc/55/82/77/875558277.db2.gz OKMMXJBAOADAFI-UHFFFAOYSA-N 0 3 387.549 3.680 20 10 GHCDHN Cc1cc2ncc([C@@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000772443656 875961919 /nfs/dbraw/zinc/96/19/19/875961919.db2.gz BCMNIOXQLSQXQD-DLBZAZTESA-N 0 3 379.508 3.595 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)F)nc1 ZINC000850426675 876909186 /nfs/dbraw/zinc/90/91/86/876909186.db2.gz YCGSLULMFDIOFB-RHSMWYFYSA-N 0 3 388.462 3.572 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)F)nc1 ZINC000850426677 876910352 /nfs/dbraw/zinc/91/03/52/876910352.db2.gz YCGSLULMFDIOFB-YOEHRIQHSA-N 0 3 388.462 3.572 20 10 GHCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850474608 876953088 /nfs/dbraw/zinc/95/30/88/876953088.db2.gz PIXLLVITHCUZNW-OAHLLOKOSA-N 0 3 388.458 3.977 20 10 GHCDHN COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000850482501 876956789 /nfs/dbraw/zinc/95/67/89/876956789.db2.gz PHYTXXDWNFKUIT-QAPCUYQASA-N 0 3 393.911 3.633 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850500501 876975401 /nfs/dbraw/zinc/97/54/01/876975401.db2.gz HIIDMVRTQGSEEJ-LRDDRELGSA-N 0 3 389.293 3.701 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1[O-] ZINC000850526328 876998058 /nfs/dbraw/zinc/99/80/58/876998058.db2.gz PMSSMCAJPYJVMO-JQAFLVLXSA-N 0 3 378.266 3.992 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(-c2ccccc2)nn1C ZINC000850568099 877036323 /nfs/dbraw/zinc/03/63/23/877036323.db2.gz PFRMFCSBRSTUHP-SFHVURJKSA-N 0 3 390.531 3.899 20 10 GHCDHN O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000180721193 879247164 /nfs/dbraw/zinc/24/71/64/879247164.db2.gz JXNAXDXONOKCJK-UHFFFAOYSA-N 0 3 380.423 3.538 20 10 GHCDHN Cc1cc(O)c(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1C ZINC000789888921 879316494 /nfs/dbraw/zinc/31/64/94/879316494.db2.gz DNJLUOFOTQFTNT-OAQYLSRUSA-N 0 3 381.520 3.787 20 10 GHCDHN CN(CCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccco1 ZINC000804967427 883515807 /nfs/dbraw/zinc/51/58/07/883515807.db2.gz RRACCDWPFCQSMC-UHFFFAOYSA-N 0 3 384.524 3.543 20 10 GHCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1 ZINC000806846608 885021643 /nfs/dbraw/zinc/02/16/43/885021643.db2.gz UZEBMFCTIFRMJW-WMZHIEFXSA-N 0 3 390.531 3.525 20 10 GHCDHN CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])c1ccccc1 ZINC000795848840 912907959 /nfs/dbraw/zinc/90/79/59/912907959.db2.gz AFAPSWZBEQREAA-GUYCJALGSA-N 0 3 391.309 3.991 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000807738560 885669855 /nfs/dbraw/zinc/66/98/55/885669855.db2.gz FJEFSYJXFKOLFM-KNQAVFIVSA-N 0 3 388.515 3.882 20 10 GHCDHN CCN1CCN(CCNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000915266942 886167210 /nfs/dbraw/zinc/16/72/10/886167210.db2.gz FXIVTGUEMXVRPL-UHFFFAOYSA-N 0 3 396.579 3.585 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000862483282 886402881 /nfs/dbraw/zinc/40/28/81/886402881.db2.gz RXQIPGHDIWXPPI-LJQANCHMSA-N 0 3 392.293 3.647 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(F)c(OC)c3)cc2F)CC1 ZINC000153676568 887274529 /nfs/dbraw/zinc/27/45/29/887274529.db2.gz HBEQRFCLPZSQQV-INIZCTEOSA-N 0 3 389.490 3.966 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c([O-])c1 ZINC000809751990 887790647 /nfs/dbraw/zinc/79/06/47/887790647.db2.gz LZWRPDRNQSRRKP-INIZCTEOSA-N 0 3 382.382 3.858 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c([O-])c1 ZINC000809751990 887790656 /nfs/dbraw/zinc/79/06/56/887790656.db2.gz LZWRPDRNQSRRKP-INIZCTEOSA-N 0 3 382.382 3.858 20 10 GHCDHN COc1cccc(CN2CCCC[C@H]2COC(=O)NC2CCCCC2)c1O ZINC000809780199 887833403 /nfs/dbraw/zinc/83/34/03/887833403.db2.gz OYZDBHRAHMAPLG-SFHVURJKSA-N 0 3 376.497 3.814 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1[O-] ZINC000794796584 888058934 /nfs/dbraw/zinc/05/89/34/888058934.db2.gz LJHMVFIOKVAFNI-RXVVDRJESA-N 0 3 381.520 3.643 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(C)cc1[O-] ZINC000794800549 888068654 /nfs/dbraw/zinc/06/86/54/888068654.db2.gz CXTOVSJSTIYIPF-HXUWFJFHSA-N 0 3 390.549 3.972 20 10 GHCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794802807 888073681 /nfs/dbraw/zinc/07/36/81/888073681.db2.gz OUPOGCBVVXATAX-WMZOPIPTSA-N 0 3 377.868 3.900 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3cnc4c(F)cccc4c3)cc2)CC1 ZINC000865427509 888344607 /nfs/dbraw/zinc/34/46/07/888344607.db2.gz UKFGPICWEOJFCA-UHFFFAOYSA-N 0 3 379.479 3.872 20 10 GHCDHN COc1ccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000121004509 888831070 /nfs/dbraw/zinc/83/10/70/888831070.db2.gz QBUZVTWWJVBXAD-JOCHJYFZSA-N 0 3 382.504 3.878 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c([O-])c1 ZINC000729685643 889165666 /nfs/dbraw/zinc/16/56/66/889165666.db2.gz FKJIHTIOSPBQQE-HXUWFJFHSA-N 0 3 390.911 3.607 20 10 GHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1Cn1cccn1 ZINC000122470286 889815368 /nfs/dbraw/zinc/81/53/68/889815368.db2.gz GIRIZTAWRXCOIB-INIZCTEOSA-N 0 3 382.483 3.996 20 10 GHCDHN CCC(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000812542265 890730747 /nfs/dbraw/zinc/73/07/47/890730747.db2.gz VXCFFOGWDKGMPG-UHFFFAOYSA-N 0 3 394.519 3.818 20 10 GHCDHN Cc1ccc(OCCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001134681815 893217067 /nfs/dbraw/zinc/21/70/67/893217067.db2.gz JAMFRKVBIQQQNV-JOCHJYFZSA-N 0 3 383.536 3.557 20 10 GHCDHN Cc1ccc(OCCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001134681816 893217293 /nfs/dbraw/zinc/21/72/93/893217293.db2.gz JAMFRKVBIQQQNV-QFIPXVFZSA-N 0 3 383.536 3.557 20 10 GHCDHN Clc1cccc(N2CCOCC2)c1CNCCCSc1nccs1 ZINC000815124530 893459337 /nfs/dbraw/zinc/45/93/37/893459337.db2.gz BWZWMTPPQOJFEV-UHFFFAOYSA-N 0 3 383.970 3.905 20 10 GHCDHN COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882624 893506269 /nfs/dbraw/zinc/50/62/69/893506269.db2.gz SATUSVYQTRCJQV-UWJYYQICSA-N 0 3 383.536 3.674 20 10 GHCDHN OCC1([C@@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc2)CCC1 ZINC000877549861 893682026 /nfs/dbraw/zinc/68/20/26/893682026.db2.gz ROFWSRXEPGUHPX-QHCPKHFHSA-N 0 3 380.532 3.641 20 10 GHCDHN COc1cc(CN[C@@H](C)c2ccccc2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000877757355 893793832 /nfs/dbraw/zinc/79/38/32/893793832.db2.gz SKSMRPHKIQELJY-NSHDSACASA-N 0 3 382.363 3.804 20 10 GHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000815556848 893995325 /nfs/dbraw/zinc/99/53/25/893995325.db2.gz GMPKLNCUPXDLEH-SFHVURJKSA-N 0 3 381.520 3.763 20 10 GHCDHN NC(=O)COc1cccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])c1 ZINC000815584858 894023962 /nfs/dbraw/zinc/02/39/62/894023962.db2.gz QTAOVTXBALJLJN-QFIPXVFZSA-N 0 3 390.483 3.720 20 10 GHCDHN CC(C)(C)S(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815592257 894031225 /nfs/dbraw/zinc/03/12/25/894031225.db2.gz DAYCBUQHCMPASH-LJQANCHMSA-N 0 3 375.534 3.869 20 10 GHCDHN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000774869286 913843760 /nfs/dbraw/zinc/84/37/60/913843760.db2.gz JWQLQCJLSVKLJQ-CQSZACIVSA-N 0 3 387.436 3.548 20 10 GHCDHN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000774869286 913843773 /nfs/dbraw/zinc/84/37/73/913843773.db2.gz JWQLQCJLSVKLJQ-CQSZACIVSA-N 0 3 387.436 3.548 20 10 GHCDHN CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(C(F)(F)F)c1 ZINC000879648394 895201190 /nfs/dbraw/zinc/20/11/90/895201190.db2.gz MSYJLWLXBCZGJP-LLVKDONJSA-N 0 3 395.381 3.659 20 10 GHCDHN C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950094 895974840 /nfs/dbraw/zinc/97/48/40/895974840.db2.gz RREYQOFUFFJMSW-ONGXEEELSA-N 0 3 392.135 3.710 20 10 GHCDHN COc1ccc(N2CC[C@H](CN[C@@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000818342079 896121269 /nfs/dbraw/zinc/12/12/69/896121269.db2.gz LGQVRMMSGSCUOV-UZUQRXQVSA-N 0 3 394.494 3.773 20 10 GHCDHN COc1cc(O)c(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000289241275 914105334 /nfs/dbraw/zinc/10/53/34/914105334.db2.gz DSXQAPLHAPTZDX-OAHLLOKOSA-N 0 3 386.275 3.930 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000805746300 897293222 /nfs/dbraw/zinc/29/32/22/897293222.db2.gz VHYLWPHVQCUCPD-VQTJNVASSA-N 0 3 375.896 3.630 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000805746300 897293237 /nfs/dbraw/zinc/29/32/37/897293237.db2.gz VHYLWPHVQCUCPD-VQTJNVASSA-N 0 3 375.896 3.630 20 10 GHCDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820521075 897368122 /nfs/dbraw/zinc/36/81/22/897368122.db2.gz RGSJYRYHQGANRV-INIZCTEOSA-N 0 3 379.464 3.586 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cccnc3Cl)cc2F)CC1 ZINC000155275119 898550930 /nfs/dbraw/zinc/55/09/30/898550930.db2.gz LLCQBKYZDKYXKV-HNNXBMFYSA-N 0 3 376.907 3.867 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000155304612 898590722 /nfs/dbraw/zinc/59/07/22/898590722.db2.gz YZPXCEJNAQNMJQ-MRXNPFEDSA-N 0 3 386.471 3.727 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(CO)c1 ZINC000121302177 900000087 /nfs/dbraw/zinc/00/00/87/900000087.db2.gz LRGOCRYAUPYNAS-HNNXBMFYSA-N 0 3 394.437 3.885 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3ccccc3OCC(F)F)cc2)CC1 ZINC000885940504 900648976 /nfs/dbraw/zinc/64/89/76/900648976.db2.gz LAKGXCYPMKVICW-UHFFFAOYSA-N 0 3 390.474 3.829 20 10 GHCDHN CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000775012783 914482412 /nfs/dbraw/zinc/48/24/12/914482412.db2.gz SMDOJEDZUJPRTE-KRWDZBQOSA-N 0 3 397.947 3.514 20 10 GHCDHN COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1ccc(N2CCC(C)CC2)cc1 ZINC000886524933 901122796 /nfs/dbraw/zinc/12/27/96/901122796.db2.gz UGJFVPKGTMULRD-IBGZPJMESA-N 0 3 382.508 3.531 20 10 GHCDHN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000844750557 901230277 /nfs/dbraw/zinc/23/02/77/901230277.db2.gz PXNXVEUTNYKMJP-FUHWJXTLSA-N 0 3 389.879 3.989 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000886747575 901252721 /nfs/dbraw/zinc/25/27/21/901252721.db2.gz YKPQODWWGARVPC-ZDUSSCGKSA-N 0 3 391.437 3.656 20 10 GHCDHN COc1cc(OC)c(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c(OC)c1 ZINC000778993950 902609092 /nfs/dbraw/zinc/60/90/92/902609092.db2.gz FPJCKGDKHQCFLH-UHFFFAOYSA-N 0 3 375.440 3.937 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000779038165 903363270 /nfs/dbraw/zinc/36/32/70/903363270.db2.gz JNARZPOBYIZXDO-XCRHUMRWSA-N 0 3 394.309 3.598 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])[C@@]12CCCO2 ZINC000779050476 903542993 /nfs/dbraw/zinc/54/29/93/903542993.db2.gz PUKADLWACQEOGE-UOUZQGKXSA-N 0 3 384.314 3.840 20 10 GHCDHN C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000151269118 904096169 /nfs/dbraw/zinc/09/61/69/904096169.db2.gz KGXGVSXHDIUWMW-IBGZPJMESA-N 0 3 380.536 3.759 20 10 GHCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] ZINC000151572986 904159388 /nfs/dbraw/zinc/15/93/88/904159388.db2.gz PEWGSEPYWFPUQN-KRWDZBQOSA-N 0 3 383.492 3.963 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000151578769 904160870 /nfs/dbraw/zinc/16/08/70/904160870.db2.gz SXKCPAWDDGLNPO-KRWDZBQOSA-N 0 3 382.504 3.517 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000773042993 904394493 /nfs/dbraw/zinc/39/44/93/904394493.db2.gz RZIMAMBVUWJKDQ-OPAMFIHVSA-N 0 3 397.519 3.616 20 10 GHCDHN COCCOc1ccc(N2CCN([C@@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172208890 905408384 /nfs/dbraw/zinc/40/83/84/905408384.db2.gz MHVDJVWOOYVSIC-FQEVSTJZSA-N 0 3 384.545 3.551 20 10 GHCDHN Cc1cc(Br)cc(CNC2(C(=O)Nc3ccccc3)CC2)c1O ZINC000779225004 905485544 /nfs/dbraw/zinc/48/55/44/905485544.db2.gz KMGIJLNVGZVAJZ-UHFFFAOYSA-N 0 3 375.266 3.724 20 10 GHCDHN CCCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1[O-] ZINC000801595493 921173204 /nfs/dbraw/zinc/17/32/04/921173204.db2.gz DPFPOAUOWODNHU-UHFFFAOYSA-N 0 3 399.447 3.901 20 10 GHCDHN CCCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1[O-] ZINC000801595493 921173206 /nfs/dbraw/zinc/17/32/06/921173206.db2.gz DPFPOAUOWODNHU-UHFFFAOYSA-N 0 3 399.447 3.901 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173784477 906708684 /nfs/dbraw/zinc/70/86/84/906708684.db2.gz FGTVLJXHXAQJID-UHFFFAOYSA-N 0 3 376.859 3.921 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173784477 906708691 /nfs/dbraw/zinc/70/86/91/906708691.db2.gz FGTVLJXHXAQJID-UHFFFAOYSA-N 0 3 376.859 3.921 20 10 GHCDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000181989448 907111400 /nfs/dbraw/zinc/11/14/00/907111400.db2.gz LSPWSIJQIPHRAX-HNNXBMFYSA-N 0 3 385.483 3.596 20 10 GHCDHN C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC001175418326 907541970 /nfs/dbraw/zinc/54/19/70/907541970.db2.gz HHPMJADEGMWMFF-IAGOWNOFSA-N 0 3 390.524 3.849 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c([O-])c1 ZINC000185180914 907727968 /nfs/dbraw/zinc/72/79/68/907727968.db2.gz PAJUXGIFANLTSO-KZNAEPCWSA-N 0 3 382.504 3.801 20 10 GHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCS2 ZINC000191498054 908632477 /nfs/dbraw/zinc/63/24/77/908632477.db2.gz GEHILKAIENHWTA-IBGZPJMESA-N 0 3 388.508 3.998 20 10 GHCDHN C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000774384164 911691285 /nfs/dbraw/zinc/69/12/85/911691285.db2.gz OVHNGMNJCLKIIC-LBPRGKRZSA-N 0 3 398.828 3.744 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)ccc1[O-] ZINC000774510839 911854056 /nfs/dbraw/zinc/85/40/56/911854056.db2.gz RXUOJGRXEZROLC-MEDUHNTESA-N 0 3 393.256 3.750 20 10 GHCDHN CN(C)C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1 ZINC000802063007 921795173 /nfs/dbraw/zinc/79/51/73/921795173.db2.gz QNCHDZBMABSODN-SFHVURJKSA-N 0 3 392.906 3.647 20 10 GHCDHN COC1CCN(c2ccc(CN[C@H](C)c3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000294996745 917087012 /nfs/dbraw/zinc/08/70/12/917087012.db2.gz NTMKMUFAWGAWLU-CRYYWNKWSA-N 0 3 386.561 3.890 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000775363553 917171672 /nfs/dbraw/zinc/17/16/72/917171672.db2.gz MNVDEVCIWXVSPA-KRWDZBQOSA-N 0 3 382.504 3.680 20 10 GHCDHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000775410855 917553242 /nfs/dbraw/zinc/55/32/42/917553242.db2.gz NGZBXPWDIPECNR-FXAWDEMLSA-N 0 3 383.511 3.981 20 10 GHCDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001191214025 917828465 /nfs/dbraw/zinc/82/84/65/917828465.db2.gz LNHPLJKTUHRUMH-XZOQPEGZSA-N 0 3 379.548 3.945 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnn(C2CCCC2)c1 ZINC000800476349 920155864 /nfs/dbraw/zinc/15/58/64/920155864.db2.gz JQURZLDQOSBAPF-PKOBYXMFSA-N 0 3 395.551 3.551 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802172087 921876694 /nfs/dbraw/zinc/87/66/94/921876694.db2.gz AVUGLKAGQOAKDF-HXUWFJFHSA-N 0 3 388.943 3.817 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(CC2CCC2)c1 ZINC000903075631 922750398 /nfs/dbraw/zinc/75/03/98/922750398.db2.gz ATHYWJIQUCQKDT-SFHVURJKSA-N 0 3 382.552 3.743 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000749161957 924055660 /nfs/dbraw/zinc/05/56/60/924055660.db2.gz NNMAUTWNNWIJLC-QFIPXVFZSA-N 0 3 394.563 3.798 20 10 GHCDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000826904305 924348283 /nfs/dbraw/zinc/34/82/83/924348283.db2.gz ZXXGNHKQJAULQX-SYYKKAFVSA-N 0 3 385.504 3.627 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC000389783080 926387327 /nfs/dbraw/zinc/38/73/27/926387327.db2.gz GDTNRBBFKCPKPM-IUODEOHRSA-N 0 3 384.904 3.789 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000750043409 927402328 /nfs/dbraw/zinc/40/23/28/927402328.db2.gz BBQPGBFYOPQVLO-UHFFFAOYSA-N 0 3 396.915 3.985 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000751384584 928166078 /nfs/dbraw/zinc/16/60/78/928166078.db2.gz SMDARSGGPAUCGU-OAQYLSRUSA-N 0 3 395.547 3.729 20 10 GHCDHN C[C@@H](NCc1cnc(-c2ccncc2)s1)c1ccc(N2CCOCC2)cc1 ZINC000753365166 929318526 /nfs/dbraw/zinc/31/85/26/929318526.db2.gz CQICXNIGSXBSSO-MRXNPFEDSA-N 0 3 380.517 3.893 20 10 GHCDHN Oc1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)cc1 ZINC000753528236 929390213 /nfs/dbraw/zinc/39/02/13/929390213.db2.gz ZVDFRQGNEVFSOO-UHFFFAOYSA-N 0 3 390.483 3.999 20 10 GHCDHN NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753537814 929397698 /nfs/dbraw/zinc/39/76/98/929397698.db2.gz KNASOVUKGVQXSL-UHFFFAOYSA-N 0 3 390.483 3.849 20 10 GHCDHN NC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753537814 929397705 /nfs/dbraw/zinc/39/77/05/929397705.db2.gz KNASOVUKGVQXSL-UHFFFAOYSA-N 0 3 390.483 3.849 20 10 GHCDHN COC(=O)CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCOCC1 ZINC000753546326 929404304 /nfs/dbraw/zinc/40/43/04/929404304.db2.gz ZZLFEGHEDICYTO-UHFFFAOYSA-N 0 3 399.487 3.515 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCOCC1 ZINC000753546326 929404307 /nfs/dbraw/zinc/40/43/07/929404307.db2.gz ZZLFEGHEDICYTO-UHFFFAOYSA-N 0 3 399.487 3.515 20 10 GHCDHN C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000753944204 929606993 /nfs/dbraw/zinc/60/69/93/929606993.db2.gz WXPZMGMQOPHROV-PKOBYXMFSA-N 0 3 396.535 3.683 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3c[nH]nc3-c3ccsc3)cc2F)CC1 ZINC000780516989 930537770 /nfs/dbraw/zinc/53/77/70/930537770.db2.gz AMWHQMPDCKZSMN-UHFFFAOYSA-N 0 3 399.539 3.709 20 10 GHCDHN C[C@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000780517431 930538037 /nfs/dbraw/zinc/53/80/37/930538037.db2.gz GLYURAAMLQFJGQ-SFHVURJKSA-N 0 3 394.494 3.758 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000798935636 932822932 /nfs/dbraw/zinc/82/29/32/932822932.db2.gz QEKFIEIOAJCEGH-HXOBKFHXSA-N 0 3 382.504 3.742 20 10 GHCDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001116013795 933282292 /nfs/dbraw/zinc/28/22/92/933282292.db2.gz RMTHFQXAJXGIDY-HNNXBMFYSA-N 0 3 377.485 3.795 20 10 GHCDHN CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191499 1032333311 /nfs/dbraw/zinc/33/33/11/1032333311.db2.gz KTCADFASTZIYGT-LJQANCHMSA-N 0 3 395.341 3.688 20 10 GHCDHN CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191499 1032333314 /nfs/dbraw/zinc/33/33/14/1032333314.db2.gz KTCADFASTZIYGT-LJQANCHMSA-N 0 3 395.341 3.688 20 10 GHCDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001227940324 1032707118 /nfs/dbraw/zinc/70/71/18/1032707118.db2.gz JVPVVVQFHZUAGP-UHFFFAOYSA-N 0 3 390.439 3.772 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276572 1032717819 /nfs/dbraw/zinc/71/78/19/1032717819.db2.gz NKNZLSHZRWWJPE-DLBZAZTESA-N 0 3 390.524 3.957 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276572 1032717828 /nfs/dbraw/zinc/71/78/28/1032717828.db2.gz NKNZLSHZRWWJPE-DLBZAZTESA-N 0 3 390.524 3.957 20 10 GHCDHN O=C(NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1)c1cccc(F)c1 ZINC001204329660 1032773393 /nfs/dbraw/zinc/77/33/93/1032773393.db2.gz UKBDACDAGKNWDQ-UHFFFAOYSA-N 0 3 381.495 3.820 20 10 GHCDHN COc1cc(Br)cc(CN2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001204340276 1032782004 /nfs/dbraw/zinc/78/20/04/1032782004.db2.gz KJFBMAAWUJJASV-HNNXBMFYSA-N 0 3 393.281 3.520 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834492100 1021221615 /nfs/dbraw/zinc/22/16/15/1021221615.db2.gz MWECZKULPQGOPA-DNVCBOLYSA-N 0 3 388.533 3.761 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccccc2)nn1C ZINC000834519066 1021241018 /nfs/dbraw/zinc/24/10/18/1021241018.db2.gz PKQKUNCZIMSVOD-KRWDZBQOSA-N 0 3 394.494 3.914 20 10 GHCDHN C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O[C@@H]2CCN(C)C2)c1 ZINC001228524074 1032970592 /nfs/dbraw/zinc/97/05/92/1032970592.db2.gz YCIBAIWENNPSTQ-GPMSIDNRSA-N 0 3 385.504 3.944 20 10 GHCDHN Fc1cc(CN2CCC3(CC2)OCCc2ccccc23)ccc1N1CCOCC1 ZINC000835057245 1021826723 /nfs/dbraw/zinc/82/67/23/1021826723.db2.gz AOUTYGLIUNNXIW-UHFFFAOYSA-N 0 3 396.506 3.726 20 10 GHCDHN Cc1c(O)ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1O ZINC001140751217 1022430786 /nfs/dbraw/zinc/43/07/86/1022430786.db2.gz NTSOQSDFIHEXRC-UHFFFAOYSA-N 0 3 382.382 3.627 20 10 GHCDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000836089735 1022627993 /nfs/dbraw/zinc/62/79/93/1022627993.db2.gz QNGKLTQBHQTUTJ-HXUWFJFHSA-N 0 3 393.491 3.982 20 10 GHCDHN COc1cc(C)cc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1O ZINC000754722921 1022859220 /nfs/dbraw/zinc/85/92/20/1022859220.db2.gz MVXRYWVXJQZYOB-UHFFFAOYSA-N 0 3 388.895 3.711 20 10 GHCDHN Cc1nc(COC[C@H]2Cn3nccc3CN(Cc3ccc(C)cc3O)C2)cs1 ZINC001140950151 1022971470 /nfs/dbraw/zinc/97/14/70/1022971470.db2.gz OZNIJDFDEKXJDW-QGZVFWFLSA-N 0 3 398.532 3.511 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)c(OC)c1 ZINC001141026282 1023257176 /nfs/dbraw/zinc/25/71/76/1023257176.db2.gz KBMQCMVBQBISHT-JPYJTQIMSA-N 0 3 398.503 3.623 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)c(OC)c1 ZINC001141026282 1023257186 /nfs/dbraw/zinc/25/71/86/1023257186.db2.gz KBMQCMVBQBISHT-JPYJTQIMSA-N 0 3 398.503 3.623 20 10 GHCDHN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141029610 1023281298 /nfs/dbraw/zinc/28/12/98/1023281298.db2.gz XWEDDZXXLJFCFL-OAHLLOKOSA-N 0 3 394.512 3.631 20 10 GHCDHN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141029610 1023281305 /nfs/dbraw/zinc/28/13/05/1023281305.db2.gz XWEDDZXXLJFCFL-OAHLLOKOSA-N 0 3 394.512 3.631 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c(OC)c1 ZINC001141032140 1023299327 /nfs/dbraw/zinc/29/93/27/1023299327.db2.gz UJWCOZOERXJUHU-GJZGRUSLSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c(OC)c1 ZINC001141032140 1023299335 /nfs/dbraw/zinc/29/93/35/1023299335.db2.gz UJWCOZOERXJUHU-GJZGRUSLSA-N 0 3 394.512 3.535 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@]12CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074988 1023435247 /nfs/dbraw/zinc/43/52/47/1023435247.db2.gz GYKWKJSOYRBDGM-DEOSSOPVSA-N 0 3 397.563 3.971 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756455322 1023660712 /nfs/dbraw/zinc/66/07/12/1023660712.db2.gz JQCATXMVADJRMM-DKSSEZFCSA-N 0 3 398.478 3.778 20 10 GHCDHN Cc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(O)c1C ZINC000756467736 1023669465 /nfs/dbraw/zinc/66/94/65/1023669465.db2.gz XJEKXSAIFOGCMN-MRXNPFEDSA-N 0 3 390.549 3.937 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000756483687 1023680233 /nfs/dbraw/zinc/68/02/33/1023680233.db2.gz VGOXPQJZRUECDT-ABAIWWIYSA-N 0 3 383.872 3.797 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C)cc2O)s1 ZINC000756483831 1023680537 /nfs/dbraw/zinc/68/05/37/1023680537.db2.gz SEYFLGPLVUOUEC-AWEZNQCLSA-N 0 3 382.551 3.643 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756502317 1023685826 /nfs/dbraw/zinc/68/58/26/1023685826.db2.gz GZKYJQSSGCPFFM-KUHUBIRLSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756569990 1023715733 /nfs/dbraw/zinc/71/57/33/1023715733.db2.gz TZLWQUHXVZOIFD-YVWKXTFCSA-N 0 3 384.495 3.613 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756733356 1023792079 /nfs/dbraw/zinc/79/20/79/1023792079.db2.gz QHTIPTIGXHDDQJ-NFBPCRFFSA-N 0 3 380.463 3.826 20 10 GHCDHN Cc1cccc(NC(=O)NC2CCN(Cc3ccc4c(c3)OCCN4C)CC2)c1 ZINC001141145436 1023965397 /nfs/dbraw/zinc/96/53/97/1023965397.db2.gz CNPONHHIMXQOFO-UHFFFAOYSA-N 0 3 394.519 3.610 20 10 GHCDHN CN1CCCc2cc(CN3CC[C@H](N4Cc5ccccc5NC4=O)C3)ccc21 ZINC001138359008 1024722325 /nfs/dbraw/zinc/72/23/25/1024722325.db2.gz HEZBEKFDZXLHEM-FQEVSTJZSA-N 0 3 376.504 3.691 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3c(F)ccc4ccncc43)c2)CC1 ZINC000832347140 1025464823 /nfs/dbraw/zinc/46/48/23/1025464823.db2.gz XQIZKCPULSAYFS-UHFFFAOYSA-N 0 3 378.451 3.768 20 10 GHCDHN COc1ccc2c(c1)CCC[C@@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146082 1025640262 /nfs/dbraw/zinc/64/02/62/1025640262.db2.gz WICCDRKBPMCMQD-NRFANRHFSA-N 0 3 388.458 3.977 20 10 GHCDHN CCCOc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146625 1025642534 /nfs/dbraw/zinc/64/25/34/1025642534.db2.gz OSVUJQGAMSGIAZ-UHFFFAOYSA-N 0 3 376.447 3.880 20 10 GHCDHN O=C(Nc1ccccc1)c1nc2c(s1)CC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054197 1026833518 /nfs/dbraw/zinc/83/35/18/1026833518.db2.gz LKCINEUDAXMYPI-UHFFFAOYSA-N 0 3 397.475 3.841 20 10 GHCDHN O=C(Nc1ccccc1)c1nc2c(s1)CC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054197 1026833528 /nfs/dbraw/zinc/83/35/28/1026833528.db2.gz LKCINEUDAXMYPI-UHFFFAOYSA-N 0 3 397.475 3.841 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2cc(C)ccc21 ZINC001140055777 1026835122 /nfs/dbraw/zinc/83/51/22/1026835122.db2.gz UGLJOZGGHHJDLK-FQEVSTJZSA-N 0 3 397.494 3.747 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001140055293 1026835350 /nfs/dbraw/zinc/83/53/50/1026835350.db2.gz CPGPFWVPSIUINK-SFHVURJKSA-N 0 3 386.467 3.624 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001203622335 1027483698 /nfs/dbraw/zinc/48/36/98/1027483698.db2.gz YHGBWJINNAWLRT-RXVVDRJESA-N 0 3 394.487 3.572 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001203622335 1027483710 /nfs/dbraw/zinc/48/37/10/1027483710.db2.gz YHGBWJINNAWLRT-RXVVDRJESA-N 0 3 394.487 3.572 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001203628586 1027487598 /nfs/dbraw/zinc/48/75/98/1027487598.db2.gz BYJWVCYAEIGWIA-WTOYTKOKSA-N 0 3 381.520 3.528 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001203628586 1027487607 /nfs/dbraw/zinc/48/76/07/1027487607.db2.gz BYJWVCYAEIGWIA-WTOYTKOKSA-N 0 3 381.520 3.528 20 10 GHCDHN CCCOc1ccc(CNCc2cccc(NS(=O)(=O)C3CC3)c2)cc1C ZINC001203996114 1027794851 /nfs/dbraw/zinc/79/48/51/1027794851.db2.gz YYLALVUNSJLROV-UHFFFAOYSA-N 0 3 388.533 3.978 20 10 GHCDHN Cc1nc2c(s1)[C@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840760927 1027804316 /nfs/dbraw/zinc/80/43/16/1027804316.db2.gz KWJKGAWHRPBIAN-MRXNPFEDSA-N 0 3 379.476 3.734 20 10 GHCDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000840845027 1027878733 /nfs/dbraw/zinc/87/87/33/1027878733.db2.gz ZTTIAKARZOYLLY-GFCCVEGCSA-N 0 3 383.897 3.699 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1[O-] ZINC000840972804 1028007596 /nfs/dbraw/zinc/00/75/96/1028007596.db2.gz UIMATKWABNCYGE-FQEVSTJZSA-N 0 3 391.895 3.674 20 10 GHCDHN Cc1cc(Br)c([O-])c(CN2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608852 1030233242 /nfs/dbraw/zinc/23/32/42/1030233242.db2.gz GPHJIZIAFKNKNG-QGZVFWFLSA-N 0 3 387.321 3.652 20 10 GHCDHN C[C@@]1(NC(=O)NCCCSc2nccs2)CCN(Cc2ccccc2)C1 ZINC001223739144 1030732197 /nfs/dbraw/zinc/73/21/97/1030732197.db2.gz WJGGOURZWGYIBG-LJQANCHMSA-N 0 3 390.578 3.589 20 10 GHCDHN C[C@](N)(Cc1ccc(F)cc1)C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001218581253 1030993992 /nfs/dbraw/zinc/99/39/92/1030993992.db2.gz IZFATYGFKSVNFE-CPHGSXDUSA-N 0 3 392.438 3.705 20 10 GHCDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@]2(N)CCc3cc(F)ccc3C2)cc1 ZINC001218955317 1031174287 /nfs/dbraw/zinc/17/42/87/1031174287.db2.gz JFMNJYVHGBENMA-XMMPIXPASA-N 0 3 389.474 3.828 20 10 GHCDHN CN1CC[C@@]2(CCC[N@@H+]2Cc2c([O-])ccc3cc(Br)ccc32)C1=O ZINC001277015942 1031220176 /nfs/dbraw/zinc/22/01/76/1031220176.db2.gz JEXUAYZJGFOBCY-IBGZPJMESA-N 0 3 389.293 3.505 20 10 GHCDHN CN1CC[C@@]2(CCC[N@H+]2Cc2c([O-])ccc3cc(Br)ccc32)C1=O ZINC001277015942 1031220190 /nfs/dbraw/zinc/22/01/90/1031220190.db2.gz JEXUAYZJGFOBCY-IBGZPJMESA-N 0 3 389.293 3.505 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H]2CCc3ccccc32)N(C)C)cc1 ZINC001229318811 1033413694 /nfs/dbraw/zinc/41/36/94/1033413694.db2.gz CMUVNLJXPSGTJB-AUSIDOKSSA-N 0 3 394.563 3.775 20 10 GHCDHN O=c1[nH]cccc1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001207012543 1034054640 /nfs/dbraw/zinc/05/46/40/1034054640.db2.gz VVNUNIFVJIOPQE-UHFFFAOYSA-N 0 3 375.472 3.688 20 10 GHCDHN O=C([O-])c1ccc(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)c([O-])c1 ZINC001231452075 1034596787 /nfs/dbraw/zinc/59/67/87/1034596787.db2.gz ADKATLAQXVQOLU-UHFFFAOYSA-N 0 3 394.515 3.969 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231524639 1034677064 /nfs/dbraw/zinc/67/70/64/1034677064.db2.gz OIJKPLYBLWBGHC-UHFFFAOYSA-N 0 3 380.410 3.880 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231524639 1034677068 /nfs/dbraw/zinc/67/70/68/1034677068.db2.gz OIJKPLYBLWBGHC-UHFFFAOYSA-N 0 3 380.410 3.880 20 10 GHCDHN O=C1[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001231586450 1034737862 /nfs/dbraw/zinc/73/78/62/1034737862.db2.gz HUYBSOLTPNKBTI-WIYYLYMNSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001231586450 1034737871 /nfs/dbraw/zinc/73/78/71/1034737871.db2.gz HUYBSOLTPNKBTI-WIYYLYMNSA-N 0 3 390.458 3.775 20 10 GHCDHN Cc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1O ZINC001231594595 1034748550 /nfs/dbraw/zinc/74/85/50/1034748550.db2.gz LYXLWMMTIUPXOD-GJZGRUSLSA-N 0 3 388.430 3.978 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001231852862 1034943550 /nfs/dbraw/zinc/94/35/50/1034943550.db2.gz ROBSLBZXJQEVBJ-NJDAHSKKSA-N 0 3 376.541 3.556 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001231856044 1034946124 /nfs/dbraw/zinc/94/61/24/1034946124.db2.gz KHLYTUJBTMBAIR-QFIPXVFZSA-N 0 3 391.556 3.888 20 10 GHCDHN Clc1cc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)ccc1N1CCOCC1 ZINC001232202687 1035158595 /nfs/dbraw/zinc/15/85/95/1035158595.db2.gz FCCMVAKXOSFPPD-SFTDATJTSA-N 0 3 397.950 3.635 20 10 GHCDHN COc1ccc(N2CCN(CCCCCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001209351801 1035249379 /nfs/dbraw/zinc/24/93/79/1035249379.db2.gz DZMHMUKZRPIGIR-UHFFFAOYSA-N 0 3 391.556 3.902 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2c(F)cccc2F)CC1 ZINC001247118964 1037931725 /nfs/dbraw/zinc/93/17/25/1037931725.db2.gz HCCVHAQNXKTRAA-UHFFFAOYSA-N 0 3 377.460 3.621 20 10 GHCDHN COC(=O)c1c(CN2CCCN(c3ccc(F)cc3)CC2)c2ccccc2n1C ZINC001232410734 1038194853 /nfs/dbraw/zinc/19/48/53/1038194853.db2.gz RCPXSTXURBEMOA-UHFFFAOYSA-N 0 3 395.478 3.816 20 10 GHCDHN CN(C)c1ccc(CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(O)c1 ZINC001232841325 1038592042 /nfs/dbraw/zinc/59/20/42/1038592042.db2.gz CMYOPEWTVZQIKF-UHFFFAOYSA-N 0 3 399.535 3.985 20 10 GHCDHN Cc1cc(Br)cc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c1[O-] ZINC001233109879 1038898588 /nfs/dbraw/zinc/89/85/88/1038898588.db2.gz KGAVITADMVPYAI-UHFFFAOYSA-N 0 3 395.341 3.688 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001233195009 1038962070 /nfs/dbraw/zinc/96/20/70/1038962070.db2.gz BDCSBQSLEUPIDJ-UHFFFAOYSA-N 0 3 393.300 3.926 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c1[O-] ZINC001233290019 1039074511 /nfs/dbraw/zinc/07/45/11/1039074511.db2.gz DAIFEBINVINHPE-HIFRSBDPSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c1[O-] ZINC001233290019 1039074529 /nfs/dbraw/zinc/07/45/29/1039074529.db2.gz DAIFEBINVINHPE-HIFRSBDPSA-N 0 3 396.915 3.743 20 10 GHCDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760502 1039594347 /nfs/dbraw/zinc/59/43/47/1039594347.db2.gz GCYIMJMZRTWQQW-CYBMUJFWSA-N 0 3 390.402 3.732 20 10 GHCDHN Cc1cccc(N2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)n1 ZINC001233768342 1039602417 /nfs/dbraw/zinc/60/24/17/1039602417.db2.gz PNKXOTNQVNIZPT-UHFFFAOYSA-N 0 3 381.398 3.707 20 10 GHCDHN Cc1cccc(N2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)n1 ZINC001233768342 1039602424 /nfs/dbraw/zinc/60/24/24/1039602424.db2.gz PNKXOTNQVNIZPT-UHFFFAOYSA-N 0 3 381.398 3.707 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](Oc4ccnc(OC)c4)C3)c2c1 ZINC001234569017 1040136853 /nfs/dbraw/zinc/13/68/53/1040136853.db2.gz IUQWVIIRCFWUCW-GOSISDBHSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](Oc4ccnc(OC)c4)C3)c2c1 ZINC001234569017 1040136868 /nfs/dbraw/zinc/13/68/68/1040136868.db2.gz IUQWVIIRCFWUCW-GOSISDBHSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](Oc4cccc(OC)n4)C3)c2c1 ZINC001234569469 1040137432 /nfs/dbraw/zinc/13/74/32/1040137432.db2.gz OFHRAHJHVPQJHX-QGZVFWFLSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](Oc4cccc(OC)n4)C3)c2c1 ZINC001234569469 1040137436 /nfs/dbraw/zinc/13/74/36/1040137436.db2.gz OFHRAHJHVPQJHX-QGZVFWFLSA-N 0 3 380.444 3.611 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001235483724 1040955879 /nfs/dbraw/zinc/95/58/79/1040955879.db2.gz GGIXQYHHVUIAND-NRFANRHFSA-N 0 3 381.520 3.897 20 10 GHCDHN CC(C)(C)c1ccc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)c(O)c1 ZINC001235684668 1041154976 /nfs/dbraw/zinc/15/49/76/1041154976.db2.gz ZFUVIFGHTAMOQF-GOSISDBHSA-N 0 3 383.536 3.945 20 10 GHCDHN CCOC(=O)NC1CCN(Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236781313 1041888427 /nfs/dbraw/zinc/88/84/27/1041888427.db2.gz AZTNOVYWAWSFFA-UHFFFAOYSA-N 0 3 384.476 3.682 20 10 GHCDHN O=C([C@@H]1CCCCN1Cc1cc(OCc2ccccc2)ccc1O)N1CCCC1 ZINC001236784421 1041890386 /nfs/dbraw/zinc/89/03/86/1041890386.db2.gz DFJQKVCYFUCPLP-QFIPXVFZSA-N 0 3 394.515 3.948 20 10 GHCDHN CCc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)c([O-])c1 ZINC001236787272 1041892689 /nfs/dbraw/zinc/89/26/89/1041892689.db2.gz HTMJXCHXUJOWJK-UHFFFAOYSA-N 0 3 383.492 3.749 20 10 GHCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236828511 1041920116 /nfs/dbraw/zinc/92/01/16/1041920116.db2.gz AIYMRLZWCBRJRB-ZJSXRUAMSA-N 0 3 396.531 3.831 20 10 GHCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236828511 1041920118 /nfs/dbraw/zinc/92/01/18/1041920118.db2.gz AIYMRLZWCBRJRB-ZJSXRUAMSA-N 0 3 396.531 3.831 20 10 GHCDHN C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236843570 1041925842 /nfs/dbraw/zinc/92/58/42/1041925842.db2.gz PLSLMVDQEXZCIB-HNNXBMFYSA-N 0 3 376.497 3.754 20 10 GHCDHN C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236843570 1041925845 /nfs/dbraw/zinc/92/58/45/1041925845.db2.gz PLSLMVDQEXZCIB-HNNXBMFYSA-N 0 3 376.497 3.754 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CC[C@](C)(CF)C3)cc2C1 ZINC001236846850 1041926526 /nfs/dbraw/zinc/92/65/26/1041926526.db2.gz LHSQLGIZCMZBNR-OAQYLSRUSA-N 0 3 394.487 3.703 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CC[C@](C)(CF)C3)cc2C1 ZINC001236846850 1041926528 /nfs/dbraw/zinc/92/65/28/1041926528.db2.gz LHSQLGIZCMZBNR-OAQYLSRUSA-N 0 3 394.487 3.703 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237048986 1042007889 /nfs/dbraw/zinc/00/78/89/1042007889.db2.gz BYOZLGNUFKUAMQ-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237048986 1042007894 /nfs/dbraw/zinc/00/78/94/1042007894.db2.gz BYOZLGNUFKUAMQ-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1ccc(C(C)C)cc1O ZINC001237052419 1042010464 /nfs/dbraw/zinc/01/04/64/1042010464.db2.gz YAKRLZWRGHUMED-HKUYNNGSSA-N 0 3 378.513 3.582 20 10 GHCDHN Cc1cccc(N2CCN(Cc3ccc(OCC(F)(F)F)cc3O)CC2)c1 ZINC001237051235 1042011103 /nfs/dbraw/zinc/01/11/03/1042011103.db2.gz IYJHREFGXYWSTG-UHFFFAOYSA-N 0 3 380.410 3.964 20 10 GHCDHN O=C(c1cccc(F)c1)N1CC[C@H]2CN(Cc3c(O)ccc(F)c3Cl)C[C@H]21 ZINC001237124999 1042053487 /nfs/dbraw/zinc/05/34/87/1042053487.db2.gz QIXCYTMLUSBXNA-SUMWQHHRSA-N 0 3 392.833 3.670 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC001462583560 1070389211 /nfs/dbraw/zinc/38/92/11/1070389211.db2.gz YIQUXWVBQHKNOO-NHCUHLMSSA-N 0 3 384.545 3.641 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCC[C@H]2C(=O)NCC)c(O)c1 ZINC001237210916 1042091513 /nfs/dbraw/zinc/09/15/13/1042091513.db2.gz BAHBYUHGQUCSIA-FQEVSTJZSA-N 0 3 375.557 3.899 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC001237487822 1042231792 /nfs/dbraw/zinc/23/17/92/1042231792.db2.gz DYABPPLTWOWAED-HXUWFJFHSA-N 0 3 398.478 3.707 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC001237487822 1042231797 /nfs/dbraw/zinc/23/17/97/1042231797.db2.gz DYABPPLTWOWAED-HXUWFJFHSA-N 0 3 398.478 3.707 20 10 GHCDHN Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237649526 1042303088 /nfs/dbraw/zinc/30/30/88/1042303088.db2.gz LODWGDLNHRJLLC-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237649526 1042303097 /nfs/dbraw/zinc/30/30/97/1042303097.db2.gz LODWGDLNHRJLLC-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1Br ZINC001237676078 1042317341 /nfs/dbraw/zinc/31/73/41/1042317341.db2.gz DQZPFLKFWGPFNG-UHFFFAOYSA-N 0 3 387.318 3.762 20 10 GHCDHN Cc1cc([O-])c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1Br ZINC001237676078 1042317346 /nfs/dbraw/zinc/31/73/46/1042317346.db2.gz DQZPFLKFWGPFNG-UHFFFAOYSA-N 0 3 387.318 3.762 20 10 GHCDHN Cc1cc([O-])c(C[N@H+](C)CCCC(=O)c2cccnc2)cc1Br ZINC001237678762 1042319624 /nfs/dbraw/zinc/31/96/24/1042319624.db2.gz MAYLWFQHYAEERO-UHFFFAOYSA-N 0 3 377.282 3.953 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+](C)CCCC(=O)c2cccnc2)cc1Br ZINC001237678762 1042319631 /nfs/dbraw/zinc/31/96/31/1042319631.db2.gz MAYLWFQHYAEERO-UHFFFAOYSA-N 0 3 377.282 3.953 20 10 GHCDHN Cc1cc([O-])c(CN2CCC([N@H+](C)C3CCOCC3)CC2)cc1Br ZINC001237682854 1042323897 /nfs/dbraw/zinc/32/38/97/1042323897.db2.gz UEAHRHKOJZHGEK-UHFFFAOYSA-N 0 3 397.357 3.538 20 10 GHCDHN Cc1cc([O-])c(CN2CCC([N@@H+](C)C3CCOCC3)CC2)cc1Br ZINC001237682854 1042323902 /nfs/dbraw/zinc/32/39/02/1042323902.db2.gz UEAHRHKOJZHGEK-UHFFFAOYSA-N 0 3 397.357 3.538 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684507 1042324516 /nfs/dbraw/zinc/32/45/16/1042324516.db2.gz VEMQGYBDFYJOBX-BEFAXECRSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684507 1042324522 /nfs/dbraw/zinc/32/45/22/1042324522.db2.gz VEMQGYBDFYJOBX-BEFAXECRSA-N 0 3 398.341 3.871 20 10 GHCDHN Cc1ccc(O[C@@H]2CCN(Cc3cc(Br)c(C)cc3O)C2)nc1 ZINC001237687094 1042328063 /nfs/dbraw/zinc/32/80/63/1042328063.db2.gz ZIJREKKHNLVOLH-OAHLLOKOSA-N 0 3 377.282 3.820 20 10 GHCDHN Cc1cc(F)cc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001238068098 1042480528 /nfs/dbraw/zinc/48/05/28/1042480528.db2.gz UGODCTAHDAKKCO-AWEZNQCLSA-N 0 3 385.361 3.692 20 10 GHCDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2c(F)cccc2F)ccc1N1CCCCC1 ZINC000740899280 1044198595 /nfs/dbraw/zinc/19/85/95/1044198595.db2.gz DUOUEHRGZHNQRS-IBGZPJMESA-N 0 3 391.418 3.687 20 10 GHCDHN C[C@@H](Cc1cccnc1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001258633408 1044680040 /nfs/dbraw/zinc/68/00/40/1044680040.db2.gz SWYZJHPPBDFZCG-FQEVSTJZSA-N 0 3 388.515 3.809 20 10 GHCDHN [O-]c1ccc(F)c(Cl)c1C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001279683826 1047912555 /nfs/dbraw/zinc/91/25/55/1047912555.db2.gz JQJQHJYRSZHVPD-MOPGFXCFSA-N 0 3 378.879 3.633 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)N(C)C)cc1 ZINC001463276958 1070957214 /nfs/dbraw/zinc/95/72/14/1070957214.db2.gz BIOCYNMIUGNITQ-LJQANCHMSA-N 0 3 394.544 3.909 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1 ZINC001463282654 1070961361 /nfs/dbraw/zinc/96/13/61/1070961361.db2.gz BEBPMEUPFBPKMC-SFHVURJKSA-N 0 3 381.854 3.717 20 10 GHCDHN CC[C@H](OC1CCCCC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463282673 1070961601 /nfs/dbraw/zinc/96/16/01/1070961601.db2.gz OZZUXTNPFDVEQM-RTWAWAEBSA-N 0 3 375.557 3.599 20 10 GHCDHN COc1ccc2oc(C)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c2c1 ZINC001289599405 1049556578 /nfs/dbraw/zinc/55/65/78/1049556578.db2.gz AFCGCFOBSGTAIP-FQEVSTJZSA-N 0 3 395.503 3.849 20 10 GHCDHN COc1ccc(N(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC(C)C)cc1 ZINC001307850324 1049632742 /nfs/dbraw/zinc/63/27/42/1049632742.db2.gz OUXHVURJWZVWAC-JOCHJYFZSA-N 0 3 383.536 3.577 20 10 GHCDHN CCN1CCN(Cc2ccc(NCc3cc(F)c(N(C)C)cc3F)cc2)CC1 ZINC001308212015 1049914496 /nfs/dbraw/zinc/91/44/96/1049914496.db2.gz COVCUCHTVYQUOO-UHFFFAOYSA-N 0 3 388.506 3.780 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC001308796695 1050097779 /nfs/dbraw/zinc/09/77/79/1050097779.db2.gz SHPQWYOBEDNJNU-OAHLLOKOSA-N 0 3 379.273 3.971 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@@H](C3CCOCC3)C2)c2cc(F)ccc2n1C ZINC001308953234 1050212753 /nfs/dbraw/zinc/21/27/53/1050212753.db2.gz UFMUMSVOYDMRHY-MRXNPFEDSA-N 0 3 388.483 3.743 20 10 GHCDHN OCC1([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2cccs2)CCC1 ZINC001327953909 1050334739 /nfs/dbraw/zinc/33/47/39/1050334739.db2.gz MSUHQKGPQCXRQW-FQEVSTJZSA-N 0 3 390.524 3.717 20 10 GHCDHN Cc1cccc2c1CC[C@H]2NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311915971 1052473580 /nfs/dbraw/zinc/47/35/80/1052473580.db2.gz XVZBZZQAFNKKSJ-FGZHOGPDSA-N 0 3 380.536 3.650 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001311989990 1052517210 /nfs/dbraw/zinc/51/72/10/1052517210.db2.gz UVGDLUYNTRTZKJ-UXHICEINSA-N 0 3 396.579 3.812 20 10 GHCDHN COc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ccc1F ZINC001322983408 1056902064 /nfs/dbraw/zinc/90/20/64/1056902064.db2.gz BJOJDPZPPTWGEV-QGZVFWFLSA-N 0 3 378.875 3.948 20 10 GHCDHN C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001323794037 1057014065 /nfs/dbraw/zinc/01/40/65/1057014065.db2.gz MYTKRAHMQIAWAG-UHFFFAOYSA-N 0 3 376.456 3.702 20 10 GHCDHN C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001323794037 1057014070 /nfs/dbraw/zinc/01/40/70/1057014070.db2.gz MYTKRAHMQIAWAG-UHFFFAOYSA-N 0 3 376.456 3.702 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1[O-] ZINC000848531407 1057152632 /nfs/dbraw/zinc/15/26/32/1057152632.db2.gz QWJMMGGDGXGOJA-LRDDRELGSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)c1[O-] ZINC000848531988 1057153399 /nfs/dbraw/zinc/15/33/99/1057153399.db2.gz WSXLKNDICMDMKO-MWLCHTKSSA-N 0 3 378.357 3.663 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1[O-] ZINC000848532264 1057153489 /nfs/dbraw/zinc/15/34/89/1057153489.db2.gz BPOASSLAYNHKIO-MJVIPROJSA-N 0 3 384.270 3.919 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)c1[O-] ZINC000848548045 1057169525 /nfs/dbraw/zinc/16/95/25/1057169525.db2.gz UBKBETIQRMSUMC-XJKSGUPXSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1[O-] ZINC000848549494 1057170046 /nfs/dbraw/zinc/17/00/46/1057170046.db2.gz WALQAXNPKAALHT-NSHDSACASA-N 0 3 390.281 3.933 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)N(C)C)cc1 ZINC001439961298 1058368763 /nfs/dbraw/zinc/36/87/63/1058368763.db2.gz QNHRMGOMLXCEQA-CLAROIROSA-N 0 3 397.950 3.711 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1C ZINC001450420715 1060593413 /nfs/dbraw/zinc/59/34/13/1060593413.db2.gz XAAQRTIKVLAIOE-INIZCTEOSA-N 0 3 393.531 3.771 20 10 GHCDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001341691018 1060813629 /nfs/dbraw/zinc/81/36/29/1060813629.db2.gz FSGYUVNEBMIIQI-GJZGRUSLSA-N 0 3 382.932 3.948 20 10 GHCDHN Cc1nc2ccccc2c(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001456930556 1062921855 /nfs/dbraw/zinc/92/18/55/1062921855.db2.gz ICPNFRHGRCZCTR-JOCHJYFZSA-N 0 3 390.531 3.950 20 10 GHCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001353665647 1066121900 /nfs/dbraw/zinc/12/19/00/1066121900.db2.gz INYWIAHEWFZKOA-VQIMIIECSA-N 0 3 390.487 3.786 20 10 GHCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1Cc1ccccc1 ZINC001468322075 1067683948 /nfs/dbraw/zinc/68/39/48/1067683948.db2.gz ZMQZNODNIFPDJO-PGRDOPGGSA-N 0 3 392.547 3.531 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@](C)(c3ccccc3)CC2)cc1 ZINC001460098230 1068781395 /nfs/dbraw/zinc/78/13/95/1068781395.db2.gz IBBFZGLGUXGKNO-XMMPIXPASA-N 0 3 379.548 3.813 20 10 GHCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC(F)(F)CC1 ZINC001478889628 1079015667 /nfs/dbraw/zinc/01/56/67/1079015667.db2.gz ZWKUAMWOQBXBSF-KXBFYZLASA-N 0 3 396.526 3.869 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471545549 1073124802 /nfs/dbraw/zinc/12/48/02/1073124802.db2.gz RQFJXQRAGNAESD-NRFANRHFSA-N 0 3 398.551 3.683 20 10 GHCDHN COC(=O)c1c(CN2CCCCC[C@H]2C[C@H](C)O)c2cc(F)ccc2n1C ZINC001474514681 1074442458 /nfs/dbraw/zinc/44/24/58/1074442458.db2.gz DETYMXGJOOKUBF-HOCLYGCPSA-N 0 3 376.472 3.620 20 10 GHCDHN COc1cc(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c(O)c(C(C)(C)C)c1 ZINC000826179575 607845548 /nfs/dbraw/zinc/84/55/48/607845548.db2.gz VHSRJWIKQBBXIZ-UHFFFAOYSA-N 0 3 381.480 3.510 20 10 GHCDHN COc1cc(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c(O)c(C(C)(C)C)c1 ZINC000826179575 607845549 /nfs/dbraw/zinc/84/55/49/607845549.db2.gz VHSRJWIKQBBXIZ-UHFFFAOYSA-N 0 3 381.480 3.510 20 10 GHCDHN CCOc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000825649812 608567942 /nfs/dbraw/zinc/56/79/42/608567942.db2.gz YMIFYOJFOOXQMN-UHFFFAOYSA-N 0 3 381.480 3.629 20 10 GHCDHN CCOc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000825649812 608567943 /nfs/dbraw/zinc/56/79/43/608567943.db2.gz YMIFYOJFOOXQMN-UHFFFAOYSA-N 0 3 381.480 3.629 20 10 GHCDHN CCOc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000825649812 608567945 /nfs/dbraw/zinc/56/79/45/608567945.db2.gz YMIFYOJFOOXQMN-UHFFFAOYSA-N 0 3 381.480 3.629 20 10 GHCDHN CCOc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000825649812 608567947 /nfs/dbraw/zinc/56/79/47/608567947.db2.gz YMIFYOJFOOXQMN-UHFFFAOYSA-N 0 3 381.480 3.629 20 10 GHCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc(N(C)C)ccn2)C1 ZINC000683498823 837410813 /nfs/dbraw/zinc/41/08/13/837410813.db2.gz NCGXTOQAQPMQKY-UHFFFAOYSA-N 0 3 391.519 3.508 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(C)cc1[O-] ZINC000279961866 844016120 /nfs/dbraw/zinc/01/61/20/844016120.db2.gz CJSTUVJCDXGBOY-HXUWFJFHSA-N 0 3 390.549 3.769 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000274897691 835787349 /nfs/dbraw/zinc/78/73/49/835787349.db2.gz KPRMGWWIRKOYSX-SCTDSRPQSA-N 0 3 397.357 3.573 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000182324986 839037506 /nfs/dbraw/zinc/03/75/06/839037506.db2.gz FWAXWOGBDRFADD-OAHLLOKOSA-N 0 3 391.533 3.823 20 10 GHCDHN [O-]c1cccc(Br)c1C[NH+]1CCC2(CN(Cc3ccc[nH]3)C2)CC1 ZINC001279220838 839536031 /nfs/dbraw/zinc/53/60/31/839536031.db2.gz YORGKMLXCIBXMP-UHFFFAOYSA-N 0 3 390.325 3.581 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(C(F)F)c(F)c3)cc2)C1 ZINC000893329897 841377893 /nfs/dbraw/zinc/37/78/93/841377893.db2.gz URKQZMMXMHRNTA-INIZCTEOSA-N 0 3 391.437 3.755 20 10 GHCDHN CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847385 861905420 /nfs/dbraw/zinc/90/54/20/861905420.db2.gz JVWWIGPWGWGFRQ-OAQYLSRUSA-N 0 3 398.503 3.535 20 10 GHCDHN CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847385 861905432 /nfs/dbraw/zinc/90/54/32/861905432.db2.gz JVWWIGPWGWGFRQ-OAQYLSRUSA-N 0 3 398.503 3.535 20 10 GHCDHN COc1ccc(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)c(O)c1OC ZINC000894847319 853052236 /nfs/dbraw/zinc/05/22/36/853052236.db2.gz CFXDDYXEQIRPJC-IBGZPJMESA-N 0 3 393.430 3.633 20 10 GHCDHN Cc1cc(Br)ccc1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766087413 856952660 /nfs/dbraw/zinc/95/26/60/856952660.db2.gz CIGLOYYIXBFUBE-QGZVFWFLSA-N 0 3 378.266 3.521 20 10 GHCDHN Cc1cc(Br)ccc1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000766087413 856952666 /nfs/dbraw/zinc/95/26/66/856952666.db2.gz CIGLOYYIXBFUBE-QGZVFWFLSA-N 0 3 378.266 3.521 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000733334102 862875378 /nfs/dbraw/zinc/87/53/78/862875378.db2.gz AJDQFUNCTPUWKR-FQEVSTJZSA-N 0 3 396.922 3.986 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000761199503 859064145 /nfs/dbraw/zinc/06/41/45/859064145.db2.gz PEEJBGVLTALJIR-SWLSCSKDSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214455 859307317 /nfs/dbraw/zinc/30/73/17/859307317.db2.gz BOGPOMVNBKHXEM-QWHCGFSZSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214455 859307323 /nfs/dbraw/zinc/30/73/23/859307323.db2.gz BOGPOMVNBKHXEM-QWHCGFSZSA-N 0 3 384.904 3.789 20 10 GHCDHN Cc1cc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(C)c1F ZINC000765980116 859365714 /nfs/dbraw/zinc/36/57/14/859365714.db2.gz PHFPFQQPZVMEHB-KRWDZBQOSA-N 0 3 390.524 3.528 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@@]12CCCO2 ZINC000761218859 859391200 /nfs/dbraw/zinc/39/12/00/859391200.db2.gz KZIODLWOCDHCMW-ZLNRFVROSA-N 0 3 383.488 3.787 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc(N(C)C)cc1 ZINC000764567250 859512240 /nfs/dbraw/zinc/51/22/40/859512240.db2.gz VNJHRRNHTAMIDQ-CYBMUJFWSA-N 0 3 376.298 3.804 20 10 GHCDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765246840 859864388 /nfs/dbraw/zinc/86/43/88/859864388.db2.gz XWMLRXGQEWZTPR-KNQAVFIVSA-N 0 3 393.531 3.700 20 10 GHCDHN CC1(C)Cc2occc2[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000765252278 859867939 /nfs/dbraw/zinc/86/79/39/859867939.db2.gz IRXBBOVVEGBHEW-XLIONFOSSA-N 0 3 381.520 3.785 20 10 GHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850648 860005371 /nfs/dbraw/zinc/00/53/71/860005371.db2.gz DOFFCKUAJSIQPV-BMGDILEWSA-N 0 3 376.497 3.505 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000734652805 864370055 /nfs/dbraw/zinc/37/00/55/864370055.db2.gz SHUVPBQSKSLFSR-JOCHJYFZSA-N 0 3 380.536 3.697 20 10 GHCDHN CN(C)c1ccc(CNCc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000792936559 881827371 /nfs/dbraw/zinc/82/73/71/881827371.db2.gz GOCVTJZRHQSIJQ-UHFFFAOYSA-N 0 3 393.453 3.898 20 10 GHCDHN CN(C)c1ccc(CN[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000738440816 865542883 /nfs/dbraw/zinc/54/28/83/865542883.db2.gz YAQJTPYCXPFRBL-XMMPIXPASA-N 0 3 387.527 3.770 20 10 GHCDHN CN(c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1)C1CCCCC1 ZINC000174392093 865795881 /nfs/dbraw/zinc/79/58/81/865795881.db2.gz KANZJKLDFGBFJG-JOCHJYFZSA-N 0 3 382.552 3.611 20 10 GHCDHN C[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000793224524 882022718 /nfs/dbraw/zinc/02/27/18/882022718.db2.gz ZOMWSWDVEOVGNQ-OAHLLOKOSA-N 0 3 392.500 3.588 20 10 GHCDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)c([O-])c1 ZINC000793386500 882162381 /nfs/dbraw/zinc/16/23/81/882162381.db2.gz UFCJDZJNDHUIJV-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C[C@H]1C(F)(F)F ZINC001168525254 882298993 /nfs/dbraw/zinc/29/89/93/882298993.db2.gz SQCPPIQQUHEMFR-JSGCOSHPSA-N 0 3 390.402 3.518 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000920866789 882425741 /nfs/dbraw/zinc/42/57/41/882425741.db2.gz JHOICYQQNWKXHA-SXUUSABNSA-N 0 3 387.568 3.503 20 10 GHCDHN C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000763522382 872222061 /nfs/dbraw/zinc/22/20/61/872222061.db2.gz ATSALOMWAFYMQC-KRWDZBQOSA-N 0 3 385.467 3.947 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3ccn4C)c2)CC1 ZINC000767887609 872914192 /nfs/dbraw/zinc/91/41/92/872914192.db2.gz ZHEFGWBWRUQTBN-UHFFFAOYSA-N 0 3 376.504 3.961 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000767917333 872934904 /nfs/dbraw/zinc/93/49/04/872934904.db2.gz WAAZUPZAAPKKHE-UHFFFAOYSA-N 0 3 399.520 3.934 20 10 GHCDHN COc1cc(Br)cc(CN(C)Cc2ccc3c(c2)OCCO3)c1O ZINC000768183154 873152299 /nfs/dbraw/zinc/15/22/99/873152299.db2.gz MVFIYXBAXSDVMU-UHFFFAOYSA-N 0 3 394.265 3.567 20 10 GHCDHN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001197002939 873522847 /nfs/dbraw/zinc/52/28/47/873522847.db2.gz DJNSZXJGJVZVSI-JTQLQIEISA-N 0 3 397.258 3.775 20 10 GHCDHN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@@H](C)c1ccccc1O ZINC001197002939 873522852 /nfs/dbraw/zinc/52/28/52/873522852.db2.gz DJNSZXJGJVZVSI-JTQLQIEISA-N 0 3 397.258 3.775 20 10 GHCDHN Cn1nccc1[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768941901 873667892 /nfs/dbraw/zinc/66/78/92/873667892.db2.gz VXZSOPMPLVCUGK-GOSISDBHSA-N 0 3 383.496 3.698 20 10 GHCDHN COC(=O)CCC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769399853 874019042 /nfs/dbraw/zinc/01/90/42/874019042.db2.gz VQIWMKRDPIJEHR-UHFFFAOYSA-N 0 3 389.496 3.750 20 10 GHCDHN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000775834404 874340786 /nfs/dbraw/zinc/34/07/86/874340786.db2.gz NTXLOECIUXKKPA-SBUREZEXSA-N 0 3 383.536 3.925 20 10 GHCDHN CCCN(C)c1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC000770156482 874520210 /nfs/dbraw/zinc/52/02/10/874520210.db2.gz WKRYWOYYZWAHFK-UHFFFAOYSA-N 0 3 380.536 3.927 20 10 GHCDHN CCOc1ccnc(N2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000770321299 874596251 /nfs/dbraw/zinc/59/62/51/874596251.db2.gz FXSWAUHJUVPMQS-UHFFFAOYSA-N 0 3 395.551 3.578 20 10 GHCDHN COc1ccc(COCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000771873152 875508349 /nfs/dbraw/zinc/50/83/49/875508349.db2.gz ARHKVODVDGZBER-UHFFFAOYSA-N 0 3 399.491 3.900 20 10 GHCDHN COCCc1noc(CC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000529641554 876429666 /nfs/dbraw/zinc/42/96/66/876429666.db2.gz ULMMBZQFGZITBV-UHFFFAOYSA-N 0 3 381.476 3.572 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(Oc4cnccn4)cc3)cc2)CC1 ZINC000850406052 876886804 /nfs/dbraw/zinc/88/68/04/876886804.db2.gz POZLTZADWPXMDI-UHFFFAOYSA-N 0 3 390.487 3.520 20 10 GHCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850474604 876953531 /nfs/dbraw/zinc/95/35/31/876953531.db2.gz PIXLLVITHCUZNW-HNNXBMFYSA-N 0 3 388.458 3.977 20 10 GHCDHN C[C@@H](NCC[S@](=O)CC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490425 876968613 /nfs/dbraw/zinc/96/86/13/876968613.db2.gz BHJUZEZZKHRQJZ-SHZVTRLKSA-N 0 3 380.451 3.778 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000850558174 877025935 /nfs/dbraw/zinc/02/59/35/877025935.db2.gz UYHQNMNNSYUOKD-JTHBVZDNSA-N 0 3 380.532 3.909 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000787328355 877348681 /nfs/dbraw/zinc/34/86/81/877348681.db2.gz OFFOADFWNIUIAA-UHFFFAOYSA-N 0 3 384.476 3.539 20 10 GHCDHN CN(C)c1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1 ZINC000789888808 879315609 /nfs/dbraw/zinc/31/56/09/879315609.db2.gz CICJAZUQPYPNGJ-JOCHJYFZSA-N 0 3 380.536 3.531 20 10 GHCDHN CN1CCCc2cc(CNC(=O)N[C@H](CN3CCCC3)c3ccccc3)ccc21 ZINC000746983088 880228577 /nfs/dbraw/zinc/22/85/77/880228577.db2.gz RNPNFXAMJAZXSD-JOCHJYFZSA-N 0 3 392.547 3.705 20 10 GHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC ZINC000173346322 881315605 /nfs/dbraw/zinc/31/56/05/881315605.db2.gz RKVKHVBVJPDNFK-HNNXBMFYSA-N 0 3 388.483 3.655 20 10 GHCDHN Cn1ccnc1[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000183289068 883276730 /nfs/dbraw/zinc/27/67/30/883276730.db2.gz IGLIMIYRNCNMRY-MAUKXSAKSA-N 0 3 376.451 3.731 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000116446738 883500782 /nfs/dbraw/zinc/50/07/82/883500782.db2.gz GIKFKHLVBWVPFC-NVXWUHKLSA-N 0 3 386.467 3.629 20 10 GHCDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000807441641 885475414 /nfs/dbraw/zinc/47/54/14/885475414.db2.gz LZDZKPXJYMCZNF-BEFAXECRSA-N 0 3 385.508 3.793 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000919786155 886364276 /nfs/dbraw/zinc/36/42/76/886364276.db2.gz RAOGMWGZFVAJNV-DENIHFKCSA-N 0 3 392.547 3.922 20 10 GHCDHN Cc1cc(Br)cc(CNCc2c(C(F)(F)F)cnn2C)c1O ZINC000862436200 886378755 /nfs/dbraw/zinc/37/87/55/886378755.db2.gz ZWCKPVUDPFXILE-UHFFFAOYSA-N 0 3 378.192 3.505 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1[O-] ZINC000808678036 886678823 /nfs/dbraw/zinc/67/88/23/886678823.db2.gz LAIFLHQURFVQNX-AWEZNQCLSA-N 0 3 376.884 3.672 20 10 GHCDHN C[C@@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000808730512 886744537 /nfs/dbraw/zinc/74/45/37/886744537.db2.gz XAJAHBMLQSJQJF-PBHICJAKSA-N 0 3 390.886 3.970 20 10 GHCDHN O=C(NC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1)C1CC1 ZINC000809543390 887532670 /nfs/dbraw/zinc/53/26/70/887532670.db2.gz PLNDZTCAINNEQE-UHFFFAOYSA-N 0 3 389.543 3.740 20 10 GHCDHN COC(=O)c1cc(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1C ZINC000809661465 887685391 /nfs/dbraw/zinc/68/53/91/887685391.db2.gz FPFQAQMCPCFWDF-OAHLLOKOSA-N 0 3 389.927 3.991 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@]2(CCOC2)O1 ZINC000794707737 887926461 /nfs/dbraw/zinc/92/64/61/887926461.db2.gz WTAHUGNGZYAQBI-YJYMSZOUSA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@]2(CCOC2)O1 ZINC000794707737 887926472 /nfs/dbraw/zinc/92/64/72/887926472.db2.gz WTAHUGNGZYAQBI-YJYMSZOUSA-N 0 3 392.293 3.688 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000810163717 888254861 /nfs/dbraw/zinc/25/48/61/888254861.db2.gz FZMJUUYGSRHZKE-UHFFFAOYSA-N 0 3 375.266 3.977 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nccc2ccccc21 ZINC000810211297 888289363 /nfs/dbraw/zinc/28/93/63/888289363.db2.gz PIRHVXVDFQWYGD-XLIONFOSSA-N 0 3 388.515 3.787 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228176 888303292 /nfs/dbraw/zinc/30/32/92/888303292.db2.gz QVUHVMLZOPLHGU-RCCFBDPRSA-N 0 3 386.458 3.830 20 10 GHCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210419 888322666 /nfs/dbraw/zinc/32/26/66/888322666.db2.gz UMGWJUGZUPQJMG-ROUUACIJSA-N 0 3 387.490 3.724 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cnc4c(F)cccc4c3)cc2F)CC1 ZINC000865426653 888343660 /nfs/dbraw/zinc/34/36/60/888343660.db2.gz DBOSVHOIPHPDRY-UHFFFAOYSA-N 0 3 383.442 3.764 20 10 GHCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000154212208 890307463 /nfs/dbraw/zinc/30/74/63/890307463.db2.gz OROUPXANXPDJOI-MBSDFSHPSA-N 0 3 395.547 3.902 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000812779706 890957363 /nfs/dbraw/zinc/95/73/63/890957363.db2.gz GFXAZCHNUSYODJ-NRFANRHFSA-N 0 3 375.896 3.871 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000812779706 890957369 /nfs/dbraw/zinc/95/73/69/890957369.db2.gz GFXAZCHNUSYODJ-NRFANRHFSA-N 0 3 375.896 3.871 20 10 GHCDHN O=[N+]([O-])c1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccc1N1CCCCC1 ZINC000812780922 890961974 /nfs/dbraw/zinc/96/19/74/890961974.db2.gz BLYLONFWYXDXBS-HSZRJFAPSA-N 0 3 395.503 3.721 20 10 GHCDHN Cc1nc2cc(C)ccn2c1CN1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000917069682 890990656 /nfs/dbraw/zinc/99/06/56/890990656.db2.gz DWDLWJLJWWEBFG-UHFFFAOYSA-N 0 3 378.520 3.591 20 10 GHCDHN CCOc1cccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000154327274 891620259 /nfs/dbraw/zinc/62/02/59/891620259.db2.gz NLYZBZLUDHJAKK-UXHICEINSA-N 0 3 390.911 3.606 20 10 GHCDHN CCOc1cccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000813792383 891981101 /nfs/dbraw/zinc/98/11/01/891981101.db2.gz OGWBAVINWMGOBQ-OAHLLOKOSA-N 0 3 384.245 3.516 20 10 GHCDHN COc1ccc(/C=C(/C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1F ZINC001134882589 893504587 /nfs/dbraw/zinc/50/45/87/893504587.db2.gz RLGQAIJXPKHVRJ-QTIWRUEGSA-N 0 3 399.510 3.723 20 10 GHCDHN COc1c([O-])c(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)ccc1[N+](=O)[O-] ZINC000877806742 893818048 /nfs/dbraw/zinc/81/80/48/893818048.db2.gz JXCDYIWANGCADZ-UHFFFAOYSA-N 0 3 391.733 3.666 20 10 GHCDHN CN1CCN([C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])c2cccs2)CC1 ZINC000816528649 894897143 /nfs/dbraw/zinc/89/71/43/894897143.db2.gz LFGLVIGDBKQYKI-FQEVSTJZSA-N 0 3 381.545 3.685 20 10 GHCDHN COc1cc(Br)cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000816657098 895001074 /nfs/dbraw/zinc/00/10/74/895001074.db2.gz KGEMRRPWFRMSOK-KRWDZBQOSA-N 0 3 382.298 3.554 20 10 GHCDHN CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941040 895970189 /nfs/dbraw/zinc/97/01/89/895970189.db2.gz IKKSBEPEPCVHTE-ROUUACIJSA-N 0 3 392.341 3.961 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000817972446 895989914 /nfs/dbraw/zinc/98/99/14/895989914.db2.gz XRRGVCBXAYTXPD-FXPVBKGRSA-N 0 3 392.135 3.708 20 10 GHCDHN COc1ccc(N2CC[C@@H](CN[C@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000818342078 896121420 /nfs/dbraw/zinc/12/14/20/896121420.db2.gz LGQVRMMSGSCUOV-SBUREZEXSA-N 0 3 394.494 3.773 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@H](O)c3cc(F)ccc3F)cc2F)C[C@@H](C)O1 ZINC000818966805 896271081 /nfs/dbraw/zinc/27/10/81/896271081.db2.gz OIIVBTLECPKYNY-LKBUQDJMSA-N 0 3 394.437 3.541 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821391174 897859979 /nfs/dbraw/zinc/85/99/79/897859979.db2.gz IOJNIEDFHFMYFJ-ICSRJNTNSA-N 0 3 384.476 3.681 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821391174 897859988 /nfs/dbraw/zinc/85/99/88/897859988.db2.gz IOJNIEDFHFMYFJ-ICSRJNTNSA-N 0 3 384.476 3.681 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1[O-] ZINC000824926977 899892836 /nfs/dbraw/zinc/89/28/36/899892836.db2.gz YITQHALKUMQEKN-QGZVFWFLSA-N 0 3 391.309 3.772 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1[O-] ZINC000825118755 899991506 /nfs/dbraw/zinc/99/15/06/899991506.db2.gz WZQFTEQJABJWJR-INMHGKMJSA-N 0 3 379.888 3.538 20 10 GHCDHN Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825326691 900094591 /nfs/dbraw/zinc/09/45/91/900094591.db2.gz PADSEOPRDAGMLF-KNQAVFIVSA-N 0 3 393.487 3.715 20 10 GHCDHN COc1ccc(Cl)c2c1CCC[C@H]2N(C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000844750558 901228812 /nfs/dbraw/zinc/22/88/12/901228812.db2.gz PXNXVEUTNYKMJP-SJLPKXTDSA-N 0 3 389.879 3.989 20 10 GHCDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747279 901250826 /nfs/dbraw/zinc/25/08/26/901250826.db2.gz PJULTIQYFBDHDK-QFIPXVFZSA-N 0 3 393.531 3.700 20 10 GHCDHN C[C@@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN(Cc2ccccc2)C1 ZINC000845001458 901629534 /nfs/dbraw/zinc/62/95/34/901629534.db2.gz AZMIAQKZDDKPBK-XMMPIXPASA-N 0 3 390.531 3.527 20 10 GHCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1O ZINC000846155664 902724973 /nfs/dbraw/zinc/72/49/73/902724973.db2.gz BXRBUCUTOHVKFC-MEDUHNTESA-N 0 3 378.831 3.649 20 10 GHCDHN CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000779003875 902735330 /nfs/dbraw/zinc/73/53/30/902735330.db2.gz RIBOYVYOZFMYHP-GFCCVEGCSA-N 0 3 377.282 3.674 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000779018593 902935011 /nfs/dbraw/zinc/93/50/11/902935011.db2.gz ONAFWABJFCOASB-CMPLNLGQSA-N 0 3 381.236 3.750 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1[O-] ZINC000779030894 903202664 /nfs/dbraw/zinc/20/26/64/903202664.db2.gz YNPPRYWHCQFDAM-CJNGLKHVSA-N 0 3 395.341 3.905 20 10 GHCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000151509239 904145883 /nfs/dbraw/zinc/14/58/83/904145883.db2.gz DYPQUMAEVJSSKB-OAHLLOKOSA-N 0 3 385.483 3.596 20 10 GHCDHN Cc1nc2c(s1)[C@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000151542406 904153016 /nfs/dbraw/zinc/15/30/16/904153016.db2.gz FCOYPUVUUCYQRH-QGZVFWFLSA-N 0 3 375.513 3.719 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773450651 907353194 /nfs/dbraw/zinc/35/31/94/907353194.db2.gz RNQDZYOJSBOVJM-SPEDKVCISA-N 0 3 380.536 3.633 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000185180897 907728092 /nfs/dbraw/zinc/72/80/92/907728092.db2.gz PAJUXGIFANLTSO-KSZLIROESA-N 0 3 382.504 3.801 20 10 GHCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000779603840 907859750 /nfs/dbraw/zinc/85/97/50/907859750.db2.gz FCJTZISMIXWHPK-CQSZACIVSA-N 0 3 384.314 3.874 20 10 GHCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000779603840 907859766 /nfs/dbraw/zinc/85/97/66/907859766.db2.gz FCJTZISMIXWHPK-CQSZACIVSA-N 0 3 384.314 3.874 20 10 GHCDHN NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1Cl ZINC001180292202 910076460 /nfs/dbraw/zinc/07/64/60/910076460.db2.gz JUTABMJSIBBABH-UHFFFAOYSA-N 0 3 394.924 3.638 20 10 GHCDHN NS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1Cl ZINC001180292202 910076475 /nfs/dbraw/zinc/07/64/75/910076475.db2.gz JUTABMJSIBBABH-UHFFFAOYSA-N 0 3 394.924 3.638 20 10 GHCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)c(C(F)(F)F)c1 ZINC001180708819 910320204 /nfs/dbraw/zinc/32/02/04/910320204.db2.gz ZSPPEQNKQRVKJK-HNNXBMFYSA-N 0 3 383.458 3.795 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H](F)c3ccccc3F)CC1)[C@H](O)CO2 ZINC000795657131 911998742 /nfs/dbraw/zinc/99/87/42/911998742.db2.gz KXSXQTBWADXBLT-TZIWHRDSSA-N 0 3 375.415 3.880 20 10 GHCDHN COc1ccc(N2CC[C@H]([NH2+]Cc3cc(Br)cc(C)c3[O-])C2)cc1 ZINC001182853618 912080663 /nfs/dbraw/zinc/08/06/63/912080663.db2.gz BMUOLZXYGTYMTP-INIZCTEOSA-N 0 3 391.309 3.840 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000294076620 916570717 /nfs/dbraw/zinc/57/07/17/916570717.db2.gz QSVAKDGXDULVOV-HSZRJFAPSA-N 0 3 397.515 3.629 20 10 GHCDHN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000775256505 916637817 /nfs/dbraw/zinc/63/78/17/916637817.db2.gz ZCWDBAVYQAUFLD-QZTJIDSGSA-N 0 3 399.510 3.533 20 10 GHCDHN Cc1cccc(Cl)c1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258666 916689597 /nfs/dbraw/zinc/68/95/97/916689597.db2.gz INSWNXZANSTCBB-MRXNPFEDSA-N 0 3 387.911 3.774 20 10 GHCDHN CCc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775260923 916705251 /nfs/dbraw/zinc/70/52/51/916705251.db2.gz RIQVRMUDWQZLJA-RTBURBONSA-N 0 3 395.547 3.614 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000775369430 917208088 /nfs/dbraw/zinc/20/80/88/917208088.db2.gz BSTIHAAZMCHHST-HOTGVXAUSA-N 0 3 382.504 3.808 20 10 GHCDHN COc1ccc(CN(C)Cc2cc(Br)cc(OC)c2O)cc1F ZINC000119612121 919641890 /nfs/dbraw/zinc/64/18/90/919641890.db2.gz PSNVJODLWLMYKO-UHFFFAOYSA-N 0 3 384.245 3.943 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000800993066 920676265 /nfs/dbraw/zinc/67/62/65/920676265.db2.gz ILZGIALGDJKFER-SZVBFZGTSA-N 0 3 382.479 3.903 20 10 GHCDHN O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc([O-])cs1 ZINC000802644974 922291521 /nfs/dbraw/zinc/29/15/21/922291521.db2.gz GNILXBNYWFFQQN-VQTJNVASSA-N 0 3 378.497 3.852 20 10 GHCDHN O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc([O-])cs1 ZINC000802644974 922291536 /nfs/dbraw/zinc/29/15/36/922291536.db2.gz GNILXBNYWFFQQN-VQTJNVASSA-N 0 3 378.497 3.852 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000749114482 924028046 /nfs/dbraw/zinc/02/80/46/924028046.db2.gz FGGNVHKGFYPCHG-MGPLVRAMSA-N 0 3 384.245 3.514 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C2CC2)cc1 ZINC000749163583 924057936 /nfs/dbraw/zinc/05/79/36/924057936.db2.gz JMOBWOUIRFQKBW-OAQYLSRUSA-N 0 3 392.547 3.551 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(C)n1-c1cccc(C(C)C)c1 ZINC000725896740 926482824 /nfs/dbraw/zinc/48/28/24/926482824.db2.gz OMEHNOCPXGEZSB-FGZHOGPDSA-N 0 3 395.547 3.811 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c([O-])c1 ZINC000751505330 928227998 /nfs/dbraw/zinc/22/79/98/928227998.db2.gz CCNOSQALQFVKET-QGZVFWFLSA-N 0 3 389.801 3.984 20 10 GHCDHN Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)cn1 ZINC000753544530 929404231 /nfs/dbraw/zinc/40/42/31/929404231.db2.gz NMQXGTVAFBIYAK-IBGZPJMESA-N 0 3 377.488 3.769 20 10 GHCDHN Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)cn1 ZINC000753544530 929404235 /nfs/dbraw/zinc/40/42/35/929404235.db2.gz NMQXGTVAFBIYAK-IBGZPJMESA-N 0 3 377.488 3.769 20 10 GHCDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000757628427 929750303 /nfs/dbraw/zinc/75/03/03/929750303.db2.gz WBIOMNJQFZNGCO-UGKGYDQZSA-N 0 3 392.547 3.749 20 10 GHCDHN O=S1(=O)CCc2cc(C[NH2+]Cc3cc(-c4ccccc4)ccc3[O-])ccc21 ZINC000757694142 929773721 /nfs/dbraw/zinc/77/37/21/929773721.db2.gz QBQWFCXQALCTFA-UHFFFAOYSA-N 0 3 379.481 3.679 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000781913021 931026816 /nfs/dbraw/zinc/02/68/16/931026816.db2.gz YEHDSZVPOOKJLX-KDOFPFPSSA-N 0 3 379.342 3.912 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000781913021 931026820 /nfs/dbraw/zinc/02/68/20/931026820.db2.gz YEHDSZVPOOKJLX-KDOFPFPSSA-N 0 3 379.342 3.912 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2c1c(F)ccc2[O-] ZINC000797086297 932176838 /nfs/dbraw/zinc/17/68/38/932176838.db2.gz LPLJISJWKOHCEV-NHYWBVRUSA-N 0 3 391.874 3.956 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927105667 932414695 /nfs/dbraw/zinc/41/46/95/932414695.db2.gz LXWPFPSXXLCXNI-JTHBVZDNSA-N 0 3 380.532 3.909 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(F)(c3ccc(Cl)cc3)CC1)[C@@H](O)CO2 ZINC000799145755 932887914 /nfs/dbraw/zinc/88/79/14/932887914.db2.gz KHTSENQEHMEWNV-SFHVURJKSA-N 0 3 377.843 3.932 20 10 GHCDHN COC1CCN(c2ccc(CN(C)CCN(C)C(=O)OC(C)(C)C)cc2)CC1 ZINC000828597760 935673833 /nfs/dbraw/zinc/67/38/33/935673833.db2.gz NZIQJFGJOYGFLS-UHFFFAOYSA-N 0 3 391.556 3.601 20 10 GHCDHN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001221172968 1032316936 /nfs/dbraw/zinc/31/69/36/1032316936.db2.gz KBBYSBNTXCSPRO-CDHQVMDDSA-N 0 3 384.524 3.571 20 10 GHCDHN CCOC[C@@H]1Cn2nccc2CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204236576 1032681455 /nfs/dbraw/zinc/68/14/55/1032681455.db2.gz AGZYUSFIKRGAQJ-SFHVURJKSA-N 0 3 378.520 3.771 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(O)cc2[O-])C2CC2)C1 ZINC001204278192 1032719590 /nfs/dbraw/zinc/71/95/90/1032719590.db2.gz XFKFWXQNOYDODF-HNNXBMFYSA-N 0 3 376.497 3.709 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(O)cc2[O-])C2CC2)C1 ZINC001204278192 1032719595 /nfs/dbraw/zinc/71/95/95/1032719595.db2.gz XFKFWXQNOYDODF-HNNXBMFYSA-N 0 3 376.497 3.709 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)c1ccccc1C(F)(F)F ZINC001204280660 1032720656 /nfs/dbraw/zinc/72/06/56/1032720656.db2.gz AVHLSPSRCQXBJB-UHFFFAOYSA-N 0 3 394.393 3.511 20 10 GHCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1c1ccc(OC(F)F)cc1 ZINC000834602320 1021302509 /nfs/dbraw/zinc/30/25/09/1021302509.db2.gz OUMAQPPMZWJCAB-IAGOWNOFSA-N 0 3 388.414 3.766 20 10 GHCDHN C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O[C@H]2CCN(C)C2)c1 ZINC001228524070 1032970956 /nfs/dbraw/zinc/97/09/56/1032970956.db2.gz YCIBAIWENNPSTQ-BXWFABGCSA-N 0 3 385.504 3.944 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)CC2 ZINC000834901219 1021648574 /nfs/dbraw/zinc/64/85/74/1021648574.db2.gz YTHMFACMRCUXBV-SJCJKPOMSA-N 0 3 394.284 3.722 20 10 GHCDHN CN1CCOc2cc(CN3CCC(c4nnc(-c5ccccc5)o4)CC3)ccc21 ZINC001141143278 1023578453 /nfs/dbraw/zinc/57/84/53/1023578453.db2.gz SBLHXKPLCOJDFH-UHFFFAOYSA-N 0 3 390.487 3.945 20 10 GHCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756515027 1023693298 /nfs/dbraw/zinc/69/32/98/1023693298.db2.gz KZKJQXFGLCTUDY-BEFAXECRSA-N 0 3 397.494 3.538 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000756611266 1023737143 /nfs/dbraw/zinc/73/71/43/1023737143.db2.gz UXGSIZANNAMCDF-SJCJKPOMSA-N 0 3 394.393 3.979 20 10 GHCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756768796 1023808052 /nfs/dbraw/zinc/80/80/52/1023808052.db2.gz MMPTXJIPQUYPEN-CPUCHLNUSA-N 0 3 377.481 3.922 20 10 GHCDHN COCCN(CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)OC(C)(C)C ZINC000756780835 1023813445 /nfs/dbraw/zinc/81/34/45/1023813445.db2.gz WBMVLTULHQVURH-DZGCQCFKSA-N 0 3 382.476 3.553 20 10 GHCDHN CC[NH+]1CCN(c2ccc(N[C@@H](C)c3cc(C(=O)OC)ccc3[O-])c(C)c2)CC1 ZINC000756792961 1023817821 /nfs/dbraw/zinc/81/78/21/1023817821.db2.gz RVFUMWSLKKSJGR-KRWDZBQOSA-N 0 3 397.519 3.802 20 10 GHCDHN c1ccc(O[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)[C@@H]3CCCO[C@@H]32)nc1 ZINC001138216656 1024384002 /nfs/dbraw/zinc/38/40/02/1024384002.db2.gz GCJUWSOEFCHIMS-GPXNEJASSA-N 0 3 393.531 3.883 20 10 GHCDHN Cc1c(CN2CCC(n3c4ccccc4n(C)c3=O)CC2)c2ccccc2n1C ZINC001138256831 1024482744 /nfs/dbraw/zinc/48/27/44/1024482744.db2.gz MANYZMWDIBMDQJ-UHFFFAOYSA-N 0 3 388.515 3.977 20 10 GHCDHN CN1CCCc2cc(CN3CCC(c4noc(C(F)(F)F)n4)CC3)ccc21 ZINC001138357055 1024720655 /nfs/dbraw/zinc/72/06/55/1024720655.db2.gz BSTOPCLVBAGUGL-UHFFFAOYSA-N 0 3 380.414 3.850 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@@]3(CCCCN3C(C)=O)C2)c(OC)c1 ZINC001138388740 1024764488 /nfs/dbraw/zinc/76/44/88/1024764488.db2.gz CGJOTWLVOJGXPQ-QHCPKHFHSA-N 0 3 387.568 3.908 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c(OC)c1 ZINC001138392104 1024769992 /nfs/dbraw/zinc/76/99/92/1024769992.db2.gz QLHIXFYOZDUPDH-SFTDATJTSA-N 0 3 377.548 3.940 20 10 GHCDHN c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499633 1024932918 /nfs/dbraw/zinc/93/29/18/1024932918.db2.gz WPRWLVRQWRILJL-KDURUIRLSA-N 0 3 386.499 3.553 20 10 GHCDHN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139410938 1026282305 /nfs/dbraw/zinc/28/23/05/1026282305.db2.gz MPSIAHYBPVVMLV-QHCPKHFHSA-N 0 3 379.548 3.922 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140055217 1026835973 /nfs/dbraw/zinc/83/59/73/1026835973.db2.gz BPVCZCKIBJQYGV-VXKWHMMOSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140055217 1026835983 /nfs/dbraw/zinc/83/59/83/1026835983.db2.gz BPVCZCKIBJQYGV-VXKWHMMOSA-N 0 3 386.467 3.514 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1O ZINC001140180447 1026953404 /nfs/dbraw/zinc/95/34/04/1026953404.db2.gz WUURIVFWSFDPIY-XKCSPQBFSA-N 0 3 382.504 3.600 20 10 GHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c1[O-] ZINC001203602309 1027466923 /nfs/dbraw/zinc/46/69/23/1027466923.db2.gz OGSGIDXZMMGGSG-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c1[O-] ZINC001203602309 1027466932 /nfs/dbraw/zinc/46/69/32/1027466932.db2.gz OGSGIDXZMMGGSG-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001203621385 1027484242 /nfs/dbraw/zinc/48/42/42/1027484242.db2.gz CMJIYLLGBDXSSN-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001203621385 1027484247 /nfs/dbraw/zinc/48/42/47/1027484247.db2.gz CMJIYLLGBDXSSN-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000841327363 1028434118 /nfs/dbraw/zinc/43/41/18/1028434118.db2.gz GIFKKCJFNALMDM-UHFFFAOYSA-N 0 3 382.508 3.677 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC000401138389 1029084835 /nfs/dbraw/zinc/08/48/35/1029084835.db2.gz XDCQEOPTOVWNPC-BRWVUGGUSA-N 0 3 376.497 3.526 20 10 GHCDHN CC(C)[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)N1CCCC1 ZINC000843428486 1030002478 /nfs/dbraw/zinc/00/24/78/1030002478.db2.gz ZQUBFGAKNMZQQD-QFIPXVFZSA-N 0 3 382.504 3.708 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001223366036 1030539815 /nfs/dbraw/zinc/53/98/15/1030539815.db2.gz IIIQNLWIZHBYMZ-QFIPXVFZSA-N 0 3 392.547 3.669 20 10 GHCDHN COc1ccc2c(c1O[C@@H]1CNCc3ccccc31)C(=O)c1ccccc1C2=O ZINC001218491153 1030959146 /nfs/dbraw/zinc/95/91/46/1030959146.db2.gz WEJIUWBYHAPHAE-HXUWFJFHSA-N 0 3 385.419 3.694 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)c(C)n1-c1ccccc1C ZINC001152695853 1031329189 /nfs/dbraw/zinc/32/91/89/1031329189.db2.gz PRRPFJCCRQGGOO-FYYLOGMGSA-N 0 3 395.547 3.510 20 10 GHCDHN CC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860884 1069800546 /nfs/dbraw/zinc/80/05/46/1069800546.db2.gz COYCHODYUXMOGU-QAPCUYQASA-N 0 3 378.513 3.834 20 10 GHCDHN CC[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860884 1069800568 /nfs/dbraw/zinc/80/05/68/1069800568.db2.gz COYCHODYUXMOGU-QAPCUYQASA-N 0 3 378.513 3.834 20 10 GHCDHN Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC001205822843 1033591326 /nfs/dbraw/zinc/59/13/26/1033591326.db2.gz VCYYEAKBXQHTRG-ZDUSSCGKSA-N 0 3 382.273 3.543 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)cc1Br ZINC001277427026 1033764855 /nfs/dbraw/zinc/76/48/55/1033764855.db2.gz MDIIDCGXPSQZMU-LJQANCHMSA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)cc1Br ZINC001277427026 1033764870 /nfs/dbraw/zinc/76/48/70/1033764870.db2.gz MDIIDCGXPSQZMU-LJQANCHMSA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN(CC4CCCC4)C3=O)C2)c1[O-] ZINC001277439645 1033851682 /nfs/dbraw/zinc/85/16/82/1033851682.db2.gz OYMCEIPKDPINNY-OAQYLSRUSA-N 0 3 376.928 3.969 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(CC4CCCC4)C3=O)C2)c1[O-] ZINC001277439645 1033851693 /nfs/dbraw/zinc/85/16/93/1033851693.db2.gz OYMCEIPKDPINNY-OAQYLSRUSA-N 0 3 376.928 3.969 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)c1[O-] ZINC001277439636 1033852412 /nfs/dbraw/zinc/85/24/12/1033852412.db2.gz OYMCEIPKDPINNY-NRFANRHFSA-N 0 3 376.928 3.969 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)c1[O-] ZINC001277439636 1033852421 /nfs/dbraw/zinc/85/24/21/1033852421.db2.gz OYMCEIPKDPINNY-NRFANRHFSA-N 0 3 376.928 3.969 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](C(F)F)C2CCCCC2)N(C)C)cc1 ZINC001207756031 1034559748 /nfs/dbraw/zinc/55/97/48/1034559748.db2.gz OAURKCYDOGVUQM-RBUKOAKNSA-N 0 3 396.526 3.869 20 10 GHCDHN Cc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC001231468891 1034613640 /nfs/dbraw/zinc/61/36/40/1034613640.db2.gz HRFWDYVNPCFLQD-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC001231468891 1034613648 /nfs/dbraw/zinc/61/36/48/1034613648.db2.gz HRFWDYVNPCFLQD-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN COCCOc1ccccc1N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231589323 1034743424 /nfs/dbraw/zinc/74/34/24/1034743424.db2.gz GLZOZRXJKFLTCD-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC001231589005 1034743632 /nfs/dbraw/zinc/74/36/32/1034743632.db2.gz AEERIMJHMXHMNS-ICSRJNTNSA-N 0 3 386.492 3.612 20 10 GHCDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC001231589005 1034743646 /nfs/dbraw/zinc/74/36/46/1034743646.db2.gz AEERIMJHMXHMNS-ICSRJNTNSA-N 0 3 386.492 3.612 20 10 GHCDHN Cc1cccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1O ZINC001231594544 1034748263 /nfs/dbraw/zinc/74/82/63/1034748263.db2.gz KXHABQDMKKCQSS-UHFFFAOYSA-N 0 3 380.410 3.917 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001231851291 1034941370 /nfs/dbraw/zinc/94/13/70/1034941370.db2.gz CRDQICHHNQVUHS-UHFFFAOYSA-N 0 3 397.519 3.625 20 10 GHCDHN COC(=O)c1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)cc1 ZINC001231882761 1034965706 /nfs/dbraw/zinc/96/57/06/1034965706.db2.gz USLFCEXCTIEUIC-UHFFFAOYSA-N 0 3 390.483 3.650 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1cnc2c(n1)CCCC2)c1ccccc1O ZINC001160623131 1035018281 /nfs/dbraw/zinc/01/82/81/1035018281.db2.gz GCEXPEJTCWDBQD-FGZHOGPDSA-N 0 3 376.460 3.620 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H](NC(=O)C3CCOCC3)C2)cc1 ZINC001209520044 1035300920 /nfs/dbraw/zinc/30/09/20/1035300920.db2.gz LYCUWJVLMAKPIM-JOCHJYFZSA-N 0 3 395.547 3.601 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC001233290020 1039072789 /nfs/dbraw/zinc/07/27/89/1039072789.db2.gz DAIFEBINVINHPE-UKRRQHHQSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC001233290020 1039072809 /nfs/dbraw/zinc/07/28/09/1039072809.db2.gz DAIFEBINVINHPE-UKRRQHHQSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1[O-] ZINC001233290850 1039077534 /nfs/dbraw/zinc/07/75/34/1039077534.db2.gz ZRYJUKMBIHPAGC-HNNXBMFYSA-N 0 3 384.904 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1[O-] ZINC001233290850 1039077553 /nfs/dbraw/zinc/07/75/53/1039077553.db2.gz ZRYJUKMBIHPAGC-HNNXBMFYSA-N 0 3 384.904 3.886 20 10 GHCDHN Oc1c(CN2CCC(O)(c3ccccc3F)CC2)cccc1OC(F)(F)F ZINC001233754199 1039590611 /nfs/dbraw/zinc/59/06/11/1039590611.db2.gz AAUADMBSCUZJSN-UHFFFAOYSA-N 0 3 385.357 3.914 20 10 GHCDHN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233767546 1039600816 /nfs/dbraw/zinc/60/08/16/1039600816.db2.gz DXPGMSIUXOHXPQ-LBPRGKRZSA-N 0 3 375.387 3.845 20 10 GHCDHN CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233767546 1039600825 /nfs/dbraw/zinc/60/08/25/1039600825.db2.gz DXPGMSIUXOHXPQ-LBPRGKRZSA-N 0 3 375.387 3.845 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1c1ccccc1 ZINC001233775739 1039606352 /nfs/dbraw/zinc/60/63/52/1039606352.db2.gz BLWFAMCKNYORJY-HOTGVXAUSA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1c1ccccc1 ZINC001233775739 1039606356 /nfs/dbraw/zinc/60/63/56/1039606356.db2.gz BLWFAMCKNYORJY-HOTGVXAUSA-N 0 3 395.377 3.679 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](F)[C@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526242 1040101097 /nfs/dbraw/zinc/10/10/97/1040101097.db2.gz RMIGRIONJZSADB-ROUUACIJSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](F)[C@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526242 1040101104 /nfs/dbraw/zinc/10/11/04/1040101104.db2.gz RMIGRIONJZSADB-ROUUACIJSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](F)[C@@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526243 1040101613 /nfs/dbraw/zinc/10/16/13/1040101613.db2.gz RMIGRIONJZSADB-ZWKOTPCHSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](F)[C@@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526243 1040101616 /nfs/dbraw/zinc/10/16/16/1040101616.db2.gz RMIGRIONJZSADB-ZWKOTPCHSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)c2c1 ZINC001234525490 1040101863 /nfs/dbraw/zinc/10/18/63/1040101863.db2.gz ILWRHGNTMMOKNX-WBVHZDCISA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)c2c1 ZINC001234525490 1040101867 /nfs/dbraw/zinc/10/18/67/1040101867.db2.gz ILWRHGNTMMOKNX-WBVHZDCISA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536979 1040110353 /nfs/dbraw/zinc/11/03/53/1040110353.db2.gz VDISVUGQLAKLCO-BGYRXZFFSA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536979 1040110359 /nfs/dbraw/zinc/11/03/59/1040110359.db2.gz VDISVUGQLAKLCO-BGYRXZFFSA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCc4ncnc(OC(C)C)c4CC3)c2c1 ZINC001234536533 1040110481 /nfs/dbraw/zinc/11/04/81/1040110481.db2.gz PUEFZMPJBIZLBP-UHFFFAOYSA-N 0 3 393.487 3.732 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCc4ncnc(OC(C)C)c4CC3)c2c1 ZINC001234536533 1040110484 /nfs/dbraw/zinc/11/04/84/1040110484.db2.gz PUEFZMPJBIZLBP-UHFFFAOYSA-N 0 3 393.487 3.732 20 10 GHCDHN COC[C@@H]1COCCC12CC[NH+](Cc1c([O-])ccc3ccc(OC)cc31)CC2 ZINC001234544290 1040115223 /nfs/dbraw/zinc/11/52/23/1040115223.db2.gz GYMJWRMVNXKLBY-GOSISDBHSA-N 0 3 385.504 3.819 20 10 GHCDHN CCc1ccc2oc(-c3ccc(O)c(O)c3)c(O[C@@H](C)CN(C)C)c(=O)c2c1 ZINC001234677693 1040210191 /nfs/dbraw/zinc/21/01/91/1040210191.db2.gz OQCUPUVCIJQRLH-ZDUSSCGKSA-N 0 3 383.444 3.763 20 10 GHCDHN O=C(c1cccnc1)N1CCC2(C[NH+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1 ZINC001234995744 1040490339 /nfs/dbraw/zinc/49/03/39/1040490339.db2.gz OUDWEYYWIRFNKA-UHFFFAOYSA-N 0 3 399.494 3.802 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1)c1cccnc1 ZINC001234998082 1040492868 /nfs/dbraw/zinc/49/28/68/1040492868.db2.gz HYZJOKKWJMKFOG-UHFFFAOYSA-N 0 3 387.483 3.849 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(C(C)(C)C)cc2[O-])cs1 ZINC001235677526 1041138255 /nfs/dbraw/zinc/13/82/55/1041138255.db2.gz AJQLDLWLJWBMTO-RBUKOAKNSA-N 0 3 399.560 3.830 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(C(C)(C)C)cc2[O-])cs1 ZINC001235677526 1041138268 /nfs/dbraw/zinc/13/82/68/1041138268.db2.gz AJQLDLWLJWBMTO-RBUKOAKNSA-N 0 3 399.560 3.830 20 10 GHCDHN C[NH2+]CC1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001235679079 1041140399 /nfs/dbraw/zinc/14/03/99/1041140399.db2.gz LFZDXGZRVSNANJ-UHFFFAOYSA-N 0 3 381.236 3.605 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235813041 1041325231 /nfs/dbraw/zinc/32/52/31/1041325231.db2.gz UMUDDNWSMAQVLG-MRXNPFEDSA-N 0 3 381.701 3.955 20 10 GHCDHN C[C@H]1c2c(F)cccc2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236526 1041670674 /nfs/dbraw/zinc/67/06/74/1041670674.db2.gz HKCVFETWYLYTEY-KKSFZXQISA-N 0 3 398.526 3.823 20 10 GHCDHN COc1cc(CN(C)CCC(=O)c2cccs2)c(O)cc1Br ZINC001236755773 1041874379 /nfs/dbraw/zinc/87/43/79/1041874379.db2.gz FUFKGPWVRUHETE-UHFFFAOYSA-N 0 3 384.295 3.930 20 10 GHCDHN COc1cc(O)c(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1OC ZINC001236756890 1041875436 /nfs/dbraw/zinc/87/54/36/1041875436.db2.gz VEIMOEPLPLRXKW-UHFFFAOYSA-N 0 3 395.459 3.839 20 10 GHCDHN COc1cc(CN2CCC(c3cccnc3)CC2)c(O)cc1Br ZINC001236757695 1041875502 /nfs/dbraw/zinc/87/55/02/1041875502.db2.gz WKQSRZSZPIXXKH-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1cccc(CCC[N@H+](C)Cc2cc(O)c(Br)cc2[O-])c1 ZINC001236763400 1041877729 /nfs/dbraw/zinc/87/77/29/1041877729.db2.gz ZDLKTQFXLKMEKD-UHFFFAOYSA-N 0 3 380.282 3.934 20 10 GHCDHN COc1cccc(CCC[N@@H+](C)Cc2cc(O)c(Br)cc2[O-])c1 ZINC001236763400 1041877734 /nfs/dbraw/zinc/87/77/34/1041877734.db2.gz ZDLKTQFXLKMEKD-UHFFFAOYSA-N 0 3 380.282 3.934 20 10 GHCDHN OC[C@@]1(C(F)(F)F)CCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236778943 1041887621 /nfs/dbraw/zinc/88/76/21/1041887621.db2.gz NPVRMIRBVOYLPZ-LJQANCHMSA-N 0 3 381.394 3.718 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784801 1041890612 /nfs/dbraw/zinc/89/06/12/1041890612.db2.gz APQFIPADKXTATI-JTHBVZDNSA-N 0 3 382.504 3.800 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784801 1041890619 /nfs/dbraw/zinc/89/06/19/1041890619.db2.gz APQFIPADKXTATI-JTHBVZDNSA-N 0 3 382.504 3.800 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c([O-])c1 ZINC001236784874 1041890670 /nfs/dbraw/zinc/89/06/70/1041890670.db2.gz CLDRYSIHGGNLBJ-JTHBVZDNSA-N 0 3 382.504 3.690 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c([O-])c1 ZINC001236784874 1041890677 /nfs/dbraw/zinc/89/06/77/1041890677.db2.gz CLDRYSIHGGNLBJ-JTHBVZDNSA-N 0 3 382.504 3.690 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)c([O-])c1 ZINC001236784702 1041890976 /nfs/dbraw/zinc/89/09/76/1041890976.db2.gz YSKMHAMKUHJQTE-UHFFFAOYSA-N 0 3 390.524 3.557 20 10 GHCDHN O=C([C@H]1CCCCN1Cc1cc(OCc2ccccc2)ccc1O)N1CCCC1 ZINC001236784420 1041891032 /nfs/dbraw/zinc/89/10/32/1041891032.db2.gz DFJQKVCYFUCPLP-JOCHJYFZSA-N 0 3 394.515 3.948 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c([O-])c1 ZINC001236790401 1041895387 /nfs/dbraw/zinc/89/53/87/1041895387.db2.gz WTBLASMFXLLUMO-MQSCRBSSSA-N 0 3 389.536 3.520 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c([O-])c1 ZINC001236790401 1041895390 /nfs/dbraw/zinc/89/53/90/1041895390.db2.gz WTBLASMFXLLUMO-MQSCRBSSSA-N 0 3 389.536 3.520 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c([O-])c1 ZINC001236808563 1041909142 /nfs/dbraw/zinc/90/91/42/1041909142.db2.gz PUHQVANZESCKIO-CALCHBBNSA-N 0 3 390.524 3.788 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c([O-])c1 ZINC001236808563 1041909144 /nfs/dbraw/zinc/90/91/44/1041909144.db2.gz PUHQVANZESCKIO-CALCHBBNSA-N 0 3 390.524 3.788 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809286 1041909371 /nfs/dbraw/zinc/90/93/71/1041909371.db2.gz VCQHKGCXUMIQRV-HOCLYGCPSA-N 0 3 378.513 3.692 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809286 1041909372 /nfs/dbraw/zinc/90/93/72/1041909372.db2.gz VCQHKGCXUMIQRV-HOCLYGCPSA-N 0 3 378.513 3.692 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236809341 1041909723 /nfs/dbraw/zinc/90/97/23/1041909723.db2.gz VUANEHRPPYNYRU-OAQYLSRUSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236809341 1041909727 /nfs/dbraw/zinc/90/97/27/1041909727.db2.gz VUANEHRPPYNYRU-OAQYLSRUSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236811258 1041911305 /nfs/dbraw/zinc/91/13/05/1041911305.db2.gz MWWZGYBNRRLENS-XMMPIXPASA-N 0 3 392.499 3.610 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236811258 1041911309 /nfs/dbraw/zinc/91/13/09/1041911309.db2.gz MWWZGYBNRRLENS-XMMPIXPASA-N 0 3 392.499 3.610 20 10 GHCDHN Clc1cc(N2CCOCC2)ccc1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001236931200 1041963564 /nfs/dbraw/zinc/96/35/64/1041963564.db2.gz QQZKAZZKKZRGSG-BGYRXZFFSA-N 0 3 397.950 3.745 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(Oc4ccccc4)CC3)c(F)c2)CC1 ZINC001236931830 1041963590 /nfs/dbraw/zinc/96/35/90/1041963590.db2.gz MCXVVPUEJPSZLK-UHFFFAOYSA-N 0 3 383.511 3.621 20 10 GHCDHN [O-]c1c(F)cc(Br)cc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236963295 1041971131 /nfs/dbraw/zinc/97/11/31/1041971131.db2.gz ZSXSUKAPZMVWIQ-UHFFFAOYSA-N 0 3 385.321 3.896 20 10 GHCDHN [O-]c1cc(Br)cc(F)c1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962759 1041971381 /nfs/dbraw/zinc/97/13/81/1041971381.db2.gz RHOAFOSMWIRXLF-UHFFFAOYSA-N 0 3 385.321 3.896 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001237043344 1042002937 /nfs/dbraw/zinc/00/29/37/1042002937.db2.gz QRYFLTLMMLNSSW-QZNHQXDQSA-N 0 3 398.503 3.525 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001237043344 1042002946 /nfs/dbraw/zinc/00/29/46/1042002946.db2.gz QRYFLTLMMLNSSW-QZNHQXDQSA-N 0 3 398.503 3.525 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237047470 1042006513 /nfs/dbraw/zinc/00/65/13/1042006513.db2.gz ADFQEUDYMIFAMB-HSZRJFAPSA-N 0 3 379.504 3.535 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237047470 1042006519 /nfs/dbraw/zinc/00/65/19/1042006519.db2.gz ADFQEUDYMIFAMB-HSZRJFAPSA-N 0 3 379.504 3.535 20 10 GHCDHN CCOc1ccc(C[N@H+](CC)C[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC001237046927 1042006654 /nfs/dbraw/zinc/00/66/54/1042006654.db2.gz IFMZBBPNOYCZEI-JOCHJYFZSA-N 0 3 384.520 3.514 20 10 GHCDHN CCOc1ccc(C[N@@H+](CC)C[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC001237046927 1042006663 /nfs/dbraw/zinc/00/66/63/1042006663.db2.gz IFMZBBPNOYCZEI-JOCHJYFZSA-N 0 3 384.520 3.514 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3C)CC2)c([O-])c1 ZINC001237049552 1042009609 /nfs/dbraw/zinc/00/96/09/1042009609.db2.gz WTVQCZYQFVYDAH-NRFANRHFSA-N 0 3 393.531 3.891 20 10 GHCDHN COc1cc(CN(C)Cc2ccc(OCC(F)(F)F)cc2O)cc(OC)c1 ZINC001237056726 1042013325 /nfs/dbraw/zinc/01/33/25/1042013325.db2.gz OFDKPMGSCZPULR-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN COc1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])cc(OC)c1 ZINC001237056726 1042013330 /nfs/dbraw/zinc/01/33/30/1042013330.db2.gz OFDKPMGSCZPULR-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN COc1cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])cc(OC)c1 ZINC001237056726 1042013335 /nfs/dbraw/zinc/01/33/35/1042013335.db2.gz OFDKPMGSCZPULR-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057324 1042014503 /nfs/dbraw/zinc/01/45/03/1042014503.db2.gz QUYNYGBKBCLEKE-CQSZACIVSA-N 0 3 389.414 3.887 20 10 GHCDHN CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237057324 1042014508 /nfs/dbraw/zinc/01/45/08/1042014508.db2.gz QUYNYGBKBCLEKE-CQSZACIVSA-N 0 3 389.414 3.887 20 10 GHCDHN Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237063515 1042016902 /nfs/dbraw/zinc/01/69/02/1042016902.db2.gz SKZLAARAEHERGI-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237063515 1042016907 /nfs/dbraw/zinc/01/69/07/1042016907.db2.gz SKZLAARAEHERGI-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN2Cc1cc(C(F)(F)F)ccc1O ZINC001237135928 1042058734 /nfs/dbraw/zinc/05/87/34/1042058734.db2.gz NWVPHYZDIKLGRP-CQDKDKBSSA-N 0 3 386.414 3.899 20 10 GHCDHN CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])CC2 ZINC001237643750 1042300619 /nfs/dbraw/zinc/30/06/19/1042300619.db2.gz RCHOCCBIZCECBM-HXUWFJFHSA-N 0 3 382.479 3.889 20 10 GHCDHN CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])CC2 ZINC001237642801 1042301149 /nfs/dbraw/zinc/30/11/49/1042301149.db2.gz HHKXENSLMMYGIJ-UHFFFAOYSA-N 0 3 383.467 3.828 20 10 GHCDHN COC[C@H]1COCCC12CC[NH+](Cc1cc(Br)c(C)cc1[O-])CC2 ZINC001237678865 1042320338 /nfs/dbraw/zinc/32/03/38/1042320338.db2.gz CDKPACBMTUGZTB-INIZCTEOSA-N 0 3 398.341 3.728 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)c(C)cc2[O-])C[C@H]1C ZINC001237686585 1042326857 /nfs/dbraw/zinc/32/68/57/1042326857.db2.gz VHZIEJCKPFDANI-ZIAGYGMSSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C[C@H]1C ZINC001237686585 1042326864 /nfs/dbraw/zinc/32/68/64/1042326864.db2.gz VHZIEJCKPFDANI-ZIAGYGMSSA-N 0 3 384.314 3.874 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1[O-] ZINC001237685894 1042327002 /nfs/dbraw/zinc/32/70/02/1042327002.db2.gz PAORPUHSQTYZHR-LJQANCHMSA-N 0 3 384.907 3.850 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1[O-] ZINC001237687206 1042327428 /nfs/dbraw/zinc/32/74/28/1042327428.db2.gz WUBXLLAUXLABFF-XUVXKRRUSA-N 0 3 388.895 3.950 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1[O-] ZINC001237687206 1042327434 /nfs/dbraw/zinc/32/74/34/1042327434.db2.gz WUBXLLAUXLABFF-XUVXKRRUSA-N 0 3 388.895 3.950 20 10 GHCDHN Cc1cccc(O[C@@H]2CCN(Cc3cc(Br)c(C)cc3O)C2)n1 ZINC001237686785 1042327879 /nfs/dbraw/zinc/32/78/79/1042327879.db2.gz YBWCDXXUEMBLHR-OAHLLOKOSA-N 0 3 377.282 3.820 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001257798468 1044181576 /nfs/dbraw/zinc/18/15/76/1044181576.db2.gz MQCYPMXFPUCWKP-IIBYNOLFSA-N 0 3 376.497 3.757 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@@H](O)CO2 ZINC001262052372 1046169633 /nfs/dbraw/zinc/16/96/33/1046169633.db2.gz SKLMYMJEAKIOAW-ZHRRBRCNSA-N 0 3 391.471 3.588 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@@H](O)CO2 ZINC001262052372 1046169640 /nfs/dbraw/zinc/16/96/40/1046169640.db2.gz SKLMYMJEAKIOAW-ZHRRBRCNSA-N 0 3 391.471 3.588 20 10 GHCDHN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)cc1Cl ZINC001279333850 1047771834 /nfs/dbraw/zinc/77/18/34/1047771834.db2.gz QDIWJLNHZHXTLO-ZNXRZULTSA-N 0 3 378.948 3.609 20 10 GHCDHN Cc1ncsc1CN1CC[C@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001279421932 1047800666 /nfs/dbraw/zinc/80/06/66/1047800666.db2.gz SFPVXXIVTQKPQQ-HXUWFJFHSA-N 0 3 375.513 3.784 20 10 GHCDHN Cc1ncsc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001279421932 1047800673 /nfs/dbraw/zinc/80/06/73/1047800673.db2.gz SFPVXXIVTQKPQQ-HXUWFJFHSA-N 0 3 375.513 3.784 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncsc2-c2ccccc2)N(C)C)cc1 ZINC001463284644 1070962387 /nfs/dbraw/zinc/96/23/87/1070962387.db2.gz RMQIATXKUNXSMN-LJQANCHMSA-N 0 3 394.544 3.909 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307695714 1049513203 /nfs/dbraw/zinc/51/32/03/1049513203.db2.gz OKXHWPUMZZXCPJ-STQMWFEESA-N 0 3 391.418 3.752 20 10 GHCDHN C[C@H](CSc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289600593 1049555833 /nfs/dbraw/zinc/55/58/33/1049555833.db2.gz ULVQGLRHXAWMAF-DYESRHJHSA-N 0 3 385.577 3.900 20 10 GHCDHN Cc1ccc(OCCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001289600271 1049555879 /nfs/dbraw/zinc/55/58/79/1049555879.db2.gz OWOIJMGQCQJJEG-NRFANRHFSA-N 0 3 383.536 3.557 20 10 GHCDHN CN(C)c1ccc(/C=C\CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC001308422852 1049972620 /nfs/dbraw/zinc/97/26/20/1049972620.db2.gz SAWBLBCDKMANPT-ZRHASKPBSA-N 0 3 375.310 3.852 20 10 GHCDHN CN(C)c1cc(F)c(CNCC23CC(C2)CN3C(=O)OC(C)(C)C)cc1F ZINC001308472932 1049984106 /nfs/dbraw/zinc/98/41/06/1049984106.db2.gz YLXJEADMJWTSSL-UHFFFAOYSA-N 0 3 381.467 3.520 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(C[N@H+](C)Cc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC001308914215 1050164341 /nfs/dbraw/zinc/16/43/41/1050164341.db2.gz CCNSYQNYGMDWOK-IYBDPMFKSA-N 0 3 390.474 3.912 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(C[N@@H+](C)Cc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC001308914215 1050164347 /nfs/dbraw/zinc/16/43/47/1050164347.db2.gz CCNSYQNYGMDWOK-IYBDPMFKSA-N 0 3 390.474 3.912 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000848514385 1057142229 /nfs/dbraw/zinc/14/22/29/1057142229.db2.gz NAUCJCPPNFBNSK-FZMZJTMJSA-N 0 3 383.286 3.710 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1[O-] ZINC000848524980 1057148137 /nfs/dbraw/zinc/14/81/37/1057148137.db2.gz YTOGMWFFCQRVFS-ZFWWWQNUSA-N 0 3 394.309 3.665 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CSCCS2)c1[O-] ZINC000848531986 1057153284 /nfs/dbraw/zinc/15/32/84/1057153284.db2.gz WSXLKNDICMDMKO-KOLCDFICSA-N 0 3 378.357 3.663 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)c1O ZINC000848532887 1057153980 /nfs/dbraw/zinc/15/39/80/1057153980.db2.gz CTNVPJSROSHNFS-BMIGLBTASA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)c2sccc2C)c1[O-] ZINC000848534364 1057155321 /nfs/dbraw/zinc/15/53/21/1057155321.db2.gz QVOZEXYKGZGQDQ-ZWNOBZJWSA-N 0 3 386.311 3.917 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000848547079 1057167766 /nfs/dbraw/zinc/16/77/66/1057167766.db2.gz JIIBMBDJLXNFGN-XJKSGUPXSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1[O-] ZINC000848548120 1057169254 /nfs/dbraw/zinc/16/92/54/1057169254.db2.gz XUGDSXYEIXXBMK-DOMZBBRYSA-N 0 3 383.330 3.831 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c(Cl)nc2Cl)N(C)C)cc1 ZINC001439958957 1058364849 /nfs/dbraw/zinc/36/48/49/1058364849.db2.gz AALBYSSIIAHROA-OAHLLOKOSA-N 0 3 399.297 3.626 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)ccc2F)N(C)C)cc1 ZINC001439960750 1058366944 /nfs/dbraw/zinc/36/69/44/1058366944.db2.gz OFJAIPLZIRXFGT-SFHVURJKSA-N 0 3 397.416 3.943 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc4cc(O)c(O)cc4s3)c2)CC1 ZINC001467305668 1067214587 /nfs/dbraw/zinc/21/45/87/1067214587.db2.gz OXZJJCYOQCNKMN-UHFFFAOYSA-N 0 3 397.500 3.707 20 10 GHCDHN CCS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469239737 1068050498 /nfs/dbraw/zinc/05/04/98/1068050498.db2.gz SHTHHWKHJVFFOW-SLFFLAALSA-N 0 3 392.613 3.719 20 10 GHCDHN Cc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000767383327 1068186412 /nfs/dbraw/zinc/18/64/12/1068186412.db2.gz LBNJYXBHOFFVPD-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC(F)(F)CC1 ZINC001478889626 1079015655 /nfs/dbraw/zinc/01/56/55/1079015655.db2.gz ZWKUAMWOQBXBSF-DNVCBOLYSA-N 0 3 396.526 3.869 20 10 GHCDHN CC(C)[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471348579 1073033325 /nfs/dbraw/zinc/03/33/25/1073033325.db2.gz QSOYYLWYXMLDQD-PKTZIBPZSA-N 0 3 396.579 3.922 20 10 GHCDHN CC(C)[C@H](Cc1ccccc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471348578 1073033568 /nfs/dbraw/zinc/03/35/68/1073033568.db2.gz QSOYYLWYXMLDQD-GOTSBHOMSA-N 0 3 396.579 3.922 20 10 GHCDHN Cc1cc2c(cc1C)N(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001471547868 1073126778 /nfs/dbraw/zinc/12/67/78/1073126778.db2.gz OISKGOICPYPZCG-JOCHJYFZSA-N 0 3 380.536 3.744 20 10 GHCDHN CC[C@@H](CNc1ccccc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471548229 1073127427 /nfs/dbraw/zinc/12/74/27/1073127427.db2.gz SAAVAYCDDLOZOD-UGKGYDQZSA-N 0 3 397.567 3.545 20 10 GHCDHN COC[C@H](NCc1cc(C)cc(OC)c1O)c1cccc(Br)c1 ZINC001474674295 1074509550 /nfs/dbraw/zinc/50/95/50/1074509550.db2.gz CTFLUNIXEJPOOC-INIZCTEOSA-N 0 3 380.282 3.949 20 10 GHCDHN Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000275657675 838243418 /nfs/dbraw/zinc/24/34/18/838243418.db2.gz UTAMRBDKLHSALK-UNMCSNQZSA-N 0 3 393.487 3.715 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178253684 838465122 /nfs/dbraw/zinc/46/51/22/838465122.db2.gz MCOGVFZPSHFXTA-DYESRHJHSA-N 0 3 397.494 3.509 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000155894792 840372374 /nfs/dbraw/zinc/37/23/74/840372374.db2.gz MMNCDHXOGGWLEM-KDOFPFPSSA-N 0 3 397.357 3.696 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1F ZINC000731346484 861581932 /nfs/dbraw/zinc/58/19/32/861581932.db2.gz WQDDFQZKIPSAAJ-FQEVSTJZSA-N 0 3 398.526 3.595 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000472109798 845934683 /nfs/dbraw/zinc/93/46/83/845934683.db2.gz DPBCBIVTBFKQET-KNQAVFIVSA-N 0 3 376.504 3.731 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000472243198 848057893 /nfs/dbraw/zinc/05/78/93/848057893.db2.gz WBWROLLAZHQZPD-UHFFFAOYSA-N 0 3 384.549 3.822 20 10 GHCDHN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000732569846 862362823 /nfs/dbraw/zinc/36/28/23/862362823.db2.gz RICKCBUHXKAUDU-FQEVSTJZSA-N 0 3 387.483 3.527 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000490031715 852716358 /nfs/dbraw/zinc/71/63/58/852716358.db2.gz OUGXDYIVIWWPRF-UHFFFAOYSA-N 0 3 390.531 3.924 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c([O-])c1 ZINC000760034293 855026469 /nfs/dbraw/zinc/02/64/69/855026469.db2.gz MHYLQWGAOZXAQZ-GDBMZVCRSA-N 0 3 378.310 3.965 20 10 GHCDHN Cc1cc(Br)ccc1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766087411 856952346 /nfs/dbraw/zinc/95/23/46/856952346.db2.gz CIGLOYYIXBFUBE-KRWDZBQOSA-N 0 3 378.266 3.521 20 10 GHCDHN Cc1cc(Br)ccc1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000766087411 856952352 /nfs/dbraw/zinc/95/23/52/856952352.db2.gz CIGLOYYIXBFUBE-KRWDZBQOSA-N 0 3 378.266 3.521 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000733332384 862874573 /nfs/dbraw/zinc/87/45/73/862874573.db2.gz VRXWCXZYBLZCHS-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000761191910 859053101 /nfs/dbraw/zinc/05/31/01/859053101.db2.gz ZVIJENMDLTYSOJ-UHFFFAOYSA-N 0 3 384.904 3.791 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000761191910 859053111 /nfs/dbraw/zinc/05/31/11/859053111.db2.gz ZVIJENMDLTYSOJ-UHFFFAOYSA-N 0 3 384.904 3.791 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000761203663 859109615 /nfs/dbraw/zinc/10/96/15/859109615.db2.gz LMETWDDARPAPMA-IUODEOHRSA-N 0 3 384.904 3.932 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000765979036 859269850 /nfs/dbraw/zinc/26/98/50/859269850.db2.gz VZQQACSVODNCTR-ZIAGYGMSSA-N 0 3 384.455 3.656 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCSc4c(F)cccc43)cc2)C1 ZINC000765256687 859874219 /nfs/dbraw/zinc/87/42/19/859874219.db2.gz VUNXGMVFOJNORV-OXJNMPFZSA-N 0 3 399.535 3.854 20 10 GHCDHN CCCN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1O ZINC000727830906 860284114 /nfs/dbraw/zinc/28/41/14/860284114.db2.gz UXHJLSWERJHGJC-UHFFFAOYSA-N 0 3 377.488 3.670 20 10 GHCDHN C[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000128663314 863083529 /nfs/dbraw/zinc/08/35/29/863083529.db2.gz JXNQVNHHVJFUII-MRXNPFEDSA-N 0 3 393.959 3.666 20 10 GHCDHN CN(C)c1ccc([C@@H](CNCc2csc(-c3ccccn3)n2)N(C)C)cc1 ZINC000898451728 863867271 /nfs/dbraw/zinc/86/72/71/863867271.db2.gz ORPSKZXYTKAGHS-HXUWFJFHSA-N 0 3 381.549 3.664 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000734653803 864372869 /nfs/dbraw/zinc/37/28/69/864372869.db2.gz KJCGILCHVLGOCV-LJQANCHMSA-N 0 3 386.565 3.759 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2F)CC1 ZINC000173400491 864706475 /nfs/dbraw/zinc/70/64/75/864706475.db2.gz YXHANJYUUHLAIX-INIZCTEOSA-N 0 3 386.471 3.727 20 10 GHCDHN CCc1cc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000735484883 864809877 /nfs/dbraw/zinc/80/98/77/864809877.db2.gz JHSHUQQFCCTCBM-UHFFFAOYSA-N 0 3 395.547 3.673 20 10 GHCDHN COc1cc(N2CCN(Cc3cccc4cnccc43)CC2)cc(OC)c1OC ZINC000184753238 864910936 /nfs/dbraw/zinc/91/09/36/864910936.db2.gz RNXBMIAPPSRACL-UHFFFAOYSA-N 0 3 393.487 3.583 20 10 GHCDHN Cc1ccncc1CNC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000793036860 881884855 /nfs/dbraw/zinc/88/48/55/881884855.db2.gz DMOUJMDIIOHYNY-HXUWFJFHSA-N 0 3 384.524 3.812 20 10 GHCDHN CCOc1ccc(-n2c(C)cc(C(=O)CONC(=N)COC(C)C)c2C)cc1 ZINC000920401815 882081741 /nfs/dbraw/zinc/08/17/41/882081741.db2.gz QHLSRXLTOABPRU-UHFFFAOYSA-N 0 3 387.480 3.599 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000743554110 868260058 /nfs/dbraw/zinc/26/00/58/868260058.db2.gz YGOWJZYZWORECG-FQEVSTJZSA-N 0 3 393.531 3.735 20 10 GHCDHN COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(F)F ZINC000065430278 870101222 /nfs/dbraw/zinc/10/12/22/870101222.db2.gz NDVUAGQOVOEOLS-OAHLLOKOSA-N 0 3 392.446 3.984 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@]2(CC(=O)OC)CCOC2)cc1 ZINC000766458356 870781157 /nfs/dbraw/zinc/78/11/57/870781157.db2.gz HWWPSNJDIMJZPU-HSZRJFAPSA-N 0 3 382.504 3.525 20 10 GHCDHN CCCCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1O ZINC000801595314 871222515 /nfs/dbraw/zinc/22/25/15/871222515.db2.gz LPDGXPYIOQXXAA-UHFFFAOYSA-N 0 3 395.503 3.760 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000182425190 872323599 /nfs/dbraw/zinc/32/35/99/872323599.db2.gz WEGPSPRBPZASDY-LSDHHAIUSA-N 0 3 386.517 3.969 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823937 872821659 /nfs/dbraw/zinc/82/16/59/872821659.db2.gz WDYFHHCXDPDJLS-QUCCMNQESA-N 0 3 380.488 3.533 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823937 872821663 /nfs/dbraw/zinc/82/16/63/872821663.db2.gz WDYFHHCXDPDJLS-QUCCMNQESA-N 0 3 380.488 3.533 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000775697340 872952682 /nfs/dbraw/zinc/95/26/82/872952682.db2.gz ZPSLSKQOUVSLHW-SFHVURJKSA-N 0 3 376.294 3.945 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000775697340 872952699 /nfs/dbraw/zinc/95/26/99/872952699.db2.gz ZPSLSKQOUVSLHW-SFHVURJKSA-N 0 3 376.294 3.945 20 10 GHCDHN Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(C)c1 ZINC000768013776 873024923 /nfs/dbraw/zinc/02/49/23/873024923.db2.gz VPXZMXGFODUMER-UHFFFAOYSA-N 0 3 399.560 3.636 20 10 GHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1Br)[C@H](O)CO2 ZINC000768464208 873327850 /nfs/dbraw/zinc/32/78/50/873327850.db2.gz OLYLVMFDQQCSPC-FUHWJXTLSA-N 0 3 390.277 3.918 20 10 GHCDHN C[C@@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775834166 874343854 /nfs/dbraw/zinc/34/38/54/874343854.db2.gz KXGJBTDRZXFHDX-CQSZACIVSA-N 0 3 383.414 3.587 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151576658 875098480 /nfs/dbraw/zinc/09/84/80/875098480.db2.gz UTIHNRLZTWMIIF-KRWDZBQOSA-N 0 3 383.492 3.963 20 10 GHCDHN CCOC(=O)C1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000776174919 875691769 /nfs/dbraw/zinc/69/17/69/875691769.db2.gz FJNKACLTZYKXEN-PPSBMQLTSA-N 0 3 394.943 3.722 20 10 GHCDHN O=S1(=O)CCN(c2ccc(CNCc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000776175156 875693213 /nfs/dbraw/zinc/69/32/13/875693213.db2.gz XHPAOAMVSKOESV-UHFFFAOYSA-N 0 3 399.343 3.518 20 10 GHCDHN O=C(NCCCSc1nccs1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000151708243 875804538 /nfs/dbraw/zinc/80/45/38/875804538.db2.gz VAXKAPNMCAMMAX-AWEZNQCLSA-N 0 3 396.607 3.823 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000529637381 876421092 /nfs/dbraw/zinc/42/10/92/876421092.db2.gz RJEASNYTWWTLNL-GFCCVEGCSA-N 0 3 378.192 3.553 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1[O-] ZINC000850566385 877033411 /nfs/dbraw/zinc/03/34/11/877033411.db2.gz MFGNUMIHOCJMAS-JTQLQIEISA-N 0 3 394.256 3.754 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746724595 877780126 /nfs/dbraw/zinc/78/01/26/877780126.db2.gz QAJGBQGCMVQQHW-AVRDEDQJSA-N 0 3 392.547 3.704 20 10 GHCDHN CCOc1cccc(CN[C@@](C)(CO)c2ccc(Br)cc2)c1O ZINC000285464371 912301163 /nfs/dbraw/zinc/30/11/63/912301163.db2.gz JZSVVVSKVHKRHB-SFHVURJKSA-N 0 3 380.282 3.551 20 10 GHCDHN CCOc1cccc(CN(C)[C@H](CO)c2cccc(Br)c2)c1O ZINC000093815538 912449919 /nfs/dbraw/zinc/44/99/19/912449919.db2.gz UXVHWJCVIQYEDQ-MRXNPFEDSA-N 0 3 380.282 3.719 20 10 GHCDHN C[C@H]1OCC[C@@]12CN(Cc1ccc(OCc3ccccc3)cc1O)C[C@@H](C)O2 ZINC000790930696 880070643 /nfs/dbraw/zinc/07/06/43/880070643.db2.gz BVEXUQFLRPHYDL-PMAPCBKXSA-N 0 3 383.488 3.740 20 10 GHCDHN COc1cc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)ccc1O ZINC000792174931 880963655 /nfs/dbraw/zinc/96/36/55/880963655.db2.gz NQOSEWPFKCPNMO-UHFFFAOYSA-N 0 3 386.467 3.541 20 10 GHCDHN COc1ccccc1-c1nc(C2CC[NH+](Cc3c([O-])cccc3OC)CC2)no1 ZINC000792187806 880974137 /nfs/dbraw/zinc/97/41/37/880974137.db2.gz SUSKYCPCSDPQJW-UHFFFAOYSA-N 0 3 395.459 3.839 20 10 GHCDHN CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000772798131 881184762 /nfs/dbraw/zinc/18/47/62/881184762.db2.gz PDYXAYILRIWFKS-UHFFFAOYSA-N 0 3 387.436 3.550 20 10 GHCDHN CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000772798131 881184772 /nfs/dbraw/zinc/18/47/72/881184772.db2.gz PDYXAYILRIWFKS-UHFFFAOYSA-N 0 3 387.436 3.550 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1[O-] ZINC000858484130 883134832 /nfs/dbraw/zinc/13/48/32/883134832.db2.gz JSKRQKFLXLMOSQ-CYBMUJFWSA-N 0 3 377.859 3.962 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[O-] ZINC000858538257 883183144 /nfs/dbraw/zinc/18/31/44/883183144.db2.gz UPRHAHLQAYNNFN-POHZPAGDSA-N 0 3 393.281 3.745 20 10 GHCDHN O=C(NCc1cc(Br)ccc1O)c1cccc(CN2CCCC2)c1 ZINC000804737644 883320820 /nfs/dbraw/zinc/32/08/20/883320820.db2.gz VDCAGILBNSGTAP-UHFFFAOYSA-N 0 3 389.293 3.681 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000859229833 883681588 /nfs/dbraw/zinc/68/15/88/883681588.db2.gz NMAJDHMKGLTWSH-AWEZNQCLSA-N 0 3 391.874 3.605 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1[O-] ZINC000186988691 883740344 /nfs/dbraw/zinc/74/03/44/883740344.db2.gz JLOVKCWKMRKBHH-ZDUSSCGKSA-N 0 3 387.281 3.895 20 10 GHCDHN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000777117636 884006794 /nfs/dbraw/zinc/00/67/94/884006794.db2.gz XOGHFBDPCFZTJL-FGSXEWAUSA-N 0 3 395.551 3.645 20 10 GHCDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795783765 912816590 /nfs/dbraw/zinc/81/65/90/912816590.db2.gz XAURAKZUTNILAM-GOSISDBHSA-N 0 3 395.956 3.555 20 10 GHCDHN COc1cccc(CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)c1O ZINC000807602343 885565589 /nfs/dbraw/zinc/56/55/89/885565589.db2.gz YCKRMHVRFOKLPK-HXUWFJFHSA-N 0 3 399.535 3.701 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3c(F)cc(F)cc3F)c2)CC1 ZINC000118947644 886391956 /nfs/dbraw/zinc/39/19/56/886391956.db2.gz OVDUDYJOSJPVFN-UHFFFAOYSA-N 0 3 377.410 3.887 20 10 GHCDHN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808690821 886645816 /nfs/dbraw/zinc/64/58/16/886645816.db2.gz MFONIFJMFKDIIL-OLZOCXBDSA-N 0 3 382.913 3.674 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1[O-] ZINC000808676841 886676755 /nfs/dbraw/zinc/67/67/55/886676755.db2.gz LZVYBEAWLJRQKZ-HUUCEWRRSA-N 0 3 375.900 3.825 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1[O-] ZINC000808697665 886717263 /nfs/dbraw/zinc/71/72/63/886717263.db2.gz QPYTZSAUMSYPKF-DJPFJPOOSA-N 0 3 388.939 3.888 20 10 GHCDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809713237 887733347 /nfs/dbraw/zinc/73/33/47/887733347.db2.gz DZPOHCBLPRYYHC-FQEVSTJZSA-N 0 3 382.504 3.852 20 10 GHCDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809713237 887733359 /nfs/dbraw/zinc/73/33/59/887733359.db2.gz DZPOHCBLPRYYHC-FQEVSTJZSA-N 0 3 382.504 3.852 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OC)c(O)c3)cc2F)CC1 ZINC000810216974 888294852 /nfs/dbraw/zinc/29/48/52/888294852.db2.gz UEGYICGPEMSCTD-MRXNPFEDSA-N 0 3 387.499 3.533 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000866484801 888901903 /nfs/dbraw/zinc/90/19/03/888901903.db2.gz DVMZFMNNOOQODC-ZIAGYGMSSA-N 0 3 385.439 3.921 20 10 GHCDHN OC1CCN(c2ccc(CN[C@H]3CCc4c3cc(F)cc4F)cc2F)CC1 ZINC000121137760 888962210 /nfs/dbraw/zinc/96/22/10/888962210.db2.gz YTFKEIPUJYSABP-FQEVSTJZSA-N 0 3 376.422 3.842 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000916607536 889177088 /nfs/dbraw/zinc/17/70/88/889177088.db2.gz HKOGVEJDHHVUEJ-JOCHJYFZSA-N 0 3 394.563 3.949 20 10 GHCDHN CC[C@H](NCc1ccc(N(C)C)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000122767084 890072199 /nfs/dbraw/zinc/07/21/99/890072199.db2.gz RZWZBANJMKDHME-NRFANRHFSA-N 0 3 383.536 3.769 20 10 GHCDHN C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154216759 890313466 /nfs/dbraw/zinc/31/34/66/890313466.db2.gz SUGMVSRPJSQRLQ-VGOFRKELSA-N 0 3 381.520 3.512 20 10 GHCDHN CCCOc1ccc(CNCc2ccc(C(=O)N3CCOCC3)cc2)cc1C ZINC000873009418 891425292 /nfs/dbraw/zinc/42/52/92/891425292.db2.gz YMLZHYBJJMYIST-UHFFFAOYSA-N 0 3 382.504 3.546 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000125959886 893172841 /nfs/dbraw/zinc/17/28/41/893172841.db2.gz JICFQJCDQYLLJU-QFIPXVFZSA-N 0 3 390.531 3.527 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCc3ccccc3C2)N(C)C)cc1 ZINC001134681730 893217911 /nfs/dbraw/zinc/21/79/11/893217911.db2.gz DPWFFEZXPUMUKH-WZONZLPQSA-N 0 3 379.548 3.667 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCCO1 ZINC000876531409 893218002 /nfs/dbraw/zinc/21/80/02/893218002.db2.gz FOCKTCGJYVJBKU-QHCPKHFHSA-N 0 3 396.531 3.535 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCCO1 ZINC000876531409 893218022 /nfs/dbraw/zinc/21/80/22/893218022.db2.gz FOCKTCGJYVJBKU-QHCPKHFHSA-N 0 3 396.531 3.535 20 10 GHCDHN Cc1ccccc1OCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881762 893503108 /nfs/dbraw/zinc/50/31/08/893503108.db2.gz GTIYZLQBRIDTGR-NRFANRHFSA-N 0 3 383.536 3.639 20 10 GHCDHN COc1ccc2oc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c(C)c2c1 ZINC001134882242 893505291 /nfs/dbraw/zinc/50/52/91/893505291.db2.gz NIIHENLMYUQOQB-HXUWFJFHSA-N 0 3 395.503 3.849 20 10 GHCDHN COc1cc(CN(Cc2ccc(N3CCC(O)CC3)cc2)C2CC2)ccc1O ZINC000877424226 893598064 /nfs/dbraw/zinc/59/80/64/893598064.db2.gz UDIRDMCCVIXNOA-UHFFFAOYSA-N 0 3 382.504 3.527 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000877552384 893682932 /nfs/dbraw/zinc/68/29/32/893682932.db2.gz SFYNRHXSRSNHEO-KRWDZBQOSA-N 0 3 394.494 3.823 20 10 GHCDHN CN1CCN(C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])c2ccccc2)CC1 ZINC000816528261 894926421 /nfs/dbraw/zinc/92/64/21/894926421.db2.gz TUVUWGGUZMIALG-QHCPKHFHSA-N 0 3 375.516 3.624 20 10 GHCDHN O=[N+]([O-])c1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)ccc1N1CCCCC1 ZINC000816656085 894998878 /nfs/dbraw/zinc/99/88/78/894998878.db2.gz DTQWFXXEGKZJCV-OAQYLSRUSA-N 0 3 385.508 3.976 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCCCNC1)c1cc(Br)cc(Br)c1[O-] ZINC000817984314 895993478 /nfs/dbraw/zinc/99/34/78/895993478.db2.gz QBKGCXZICMSANM-ONGXEEELSA-N 0 3 392.135 3.710 20 10 GHCDHN C[C@H](N[C@H]1CCCC[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817984314 895993492 /nfs/dbraw/zinc/99/34/92/895993492.db2.gz QBKGCXZICMSANM-ONGXEEELSA-N 0 3 392.135 3.710 20 10 GHCDHN CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccccc1[O-] ZINC000155642211 898966522 /nfs/dbraw/zinc/96/65/22/898966522.db2.gz CXZLFSSOFGKCPW-QGZVFWFLSA-N 0 3 396.578 3.768 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000824377212 899571093 /nfs/dbraw/zinc/57/10/93/899571093.db2.gz XYNGINSGUNIKCV-UHFFFAOYSA-N 0 3 392.590 3.832 20 10 GHCDHN COC[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000824507245 899674712 /nfs/dbraw/zinc/67/47/12/899674712.db2.gz FVFYVRLLRKHEFX-GCJKJVERSA-N 0 3 385.504 3.987 20 10 GHCDHN COC[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000824507245 899674721 /nfs/dbraw/zinc/67/47/21/899674721.db2.gz FVFYVRLLRKHEFX-GCJKJVERSA-N 0 3 385.504 3.987 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000824955756 899906366 /nfs/dbraw/zinc/90/63/66/899906366.db2.gz ZCWAOWJCSZQKAA-CQSZACIVSA-N 0 3 385.414 3.647 20 10 GHCDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112255 899984453 /nfs/dbraw/zinc/98/44/53/899984453.db2.gz SDFJUJKIGOVVGD-IRXDYDNUSA-N 0 3 390.524 3.870 20 10 GHCDHN COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112255 899984457 /nfs/dbraw/zinc/98/44/57/899984457.db2.gz SDFJUJKIGOVVGD-IRXDYDNUSA-N 0 3 390.524 3.870 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)cc4ccncc43)c2)CC1 ZINC000844482023 900878063 /nfs/dbraw/zinc/87/80/63/900878063.db2.gz OBGZEFLLRQUMIW-UHFFFAOYSA-N 0 3 378.451 3.768 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000886747280 901251187 /nfs/dbraw/zinc/25/11/87/901251187.db2.gz PKWWDWHHMCVFOD-NRFANRHFSA-N 0 3 397.494 3.531 20 10 GHCDHN C[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccccc1[O-] ZINC000290177388 914559591 /nfs/dbraw/zinc/55/95/91/914559591.db2.gz NFYIGLQHZUQPJL-HNNXBMFYSA-N 0 3 379.460 3.612 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1[O-] ZINC000779002504 902695520 /nfs/dbraw/zinc/69/55/20/902695520.db2.gz INRHRJPNXUAWSJ-DZGCQCFKSA-N 0 3 380.282 3.554 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000779052429 903596467 /nfs/dbraw/zinc/59/64/67/903596467.db2.gz PYTNSTWTMCXXRL-NSHDSACASA-N 0 3 382.327 3.659 20 10 GHCDHN COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001172211989 905413736 /nfs/dbraw/zinc/41/37/36/905413736.db2.gz LGJJTNWPUZZYIV-UHFFFAOYSA-N 0 3 389.879 3.894 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000190070032 905521430 /nfs/dbraw/zinc/52/14/30/905521430.db2.gz ZVRZIZUOQRYOCK-UHFFFAOYSA-N 0 3 382.888 3.711 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773450637 907339116 /nfs/dbraw/zinc/33/91/16/907339116.db2.gz RNQDZYOJSBOVJM-KGVIQGDOSA-N 0 3 380.536 3.633 20 10 GHCDHN COc1cc(C)nc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000777435617 908111211 /nfs/dbraw/zinc/11/12/11/908111211.db2.gz IDWRGESKPIIWLZ-OAHLLOKOSA-N 0 3 377.435 3.759 20 10 GHCDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192681028 908812509 /nfs/dbraw/zinc/81/25/09/908812509.db2.gz CHZLEDQRMKYNRP-ZDUSSCGKSA-N 0 3 395.334 3.697 20 10 GHCDHN CCN(C)c1ccc(CN2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000773756922 909139256 /nfs/dbraw/zinc/13/92/56/909139256.db2.gz XKFJJIUFGOFDEH-UHFFFAOYSA-N 0 3 379.548 3.810 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC001180064664 909923204 /nfs/dbraw/zinc/92/32/04/909923204.db2.gz RPUGUOCFUPQBIG-SREVYHEPSA-N 0 3 384.568 3.862 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271476451 910919684 /nfs/dbraw/zinc/91/96/84/910919684.db2.gz IZGDUWFCDUIGNI-LBVFDXDZSA-N 0 3 390.524 3.812 20 10 GHCDHN COC(=O)CCn1nc(C)c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1C ZINC000093319280 912192528 /nfs/dbraw/zinc/19/25/28/912192528.db2.gz NZSBAHBUTBWSIT-UHFFFAOYSA-N 0 3 385.508 3.713 20 10 GHCDHN COC(=O)CCn1nc(C)c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1C ZINC000093319280 912192541 /nfs/dbraw/zinc/19/25/41/912192541.db2.gz NZSBAHBUTBWSIT-UHFFFAOYSA-N 0 3 385.508 3.713 20 10 GHCDHN O=C(Nc1ccc(F)c(Cl)c1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001187715637 915473191 /nfs/dbraw/zinc/47/31/91/915473191.db2.gz YPRAKOMICOJACS-UHFFFAOYSA-N 0 3 377.847 3.971 20 10 GHCDHN CCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256030 916660750 /nfs/dbraw/zinc/66/07/50/916660750.db2.gz VBXMWOZATHXZEA-SFHVURJKSA-N 0 3 395.547 3.937 20 10 GHCDHN CC(C)CCC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257371 916685914 /nfs/dbraw/zinc/68/59/14/916685914.db2.gz IPDXAJPVVWQYGE-RTBURBONSA-N 0 3 375.557 3.505 20 10 GHCDHN CN(c1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1)C1CCCCC1 ZINC000775382426 917316337 /nfs/dbraw/zinc/31/63/37/917316337.db2.gz OAUXUJZUMIZZLK-LEWJYISDSA-N 0 3 378.582 3.901 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(C[S@](C)=O)cc2)c(C(F)(F)F)c1 ZINC000796525578 918062408 /nfs/dbraw/zinc/06/24/08/918062408.db2.gz DRLUGSUYQBRMHS-SANMLTNESA-N 0 3 384.467 3.940 20 10 GHCDHN CN(C)CCn1nccc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297425647 919321455 /nfs/dbraw/zinc/32/14/55/919321455.db2.gz OSSMMWAZTIHSJQ-UHFFFAOYSA-N 0 3 385.512 3.517 20 10 GHCDHN Cc1nc2scc(C3CC3)n2c1CNCc1ccc(N2CCOCC2)cc1 ZINC000298244057 920335327 /nfs/dbraw/zinc/33/53/27/920335327.db2.gz COZRBWKGFBRWJZ-UHFFFAOYSA-N 0 3 382.533 3.708 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802172085 921875913 /nfs/dbraw/zinc/87/59/13/921875913.db2.gz AVUGLKAGQOAKDF-FQEVSTJZSA-N 0 3 388.943 3.817 20 10 GHCDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000367395613 922080645 /nfs/dbraw/zinc/08/06/45/922080645.db2.gz COHNGZCZRDIMEK-IIBYNOLFSA-N 0 3 397.494 3.811 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000367896348 922363752 /nfs/dbraw/zinc/36/37/52/922363752.db2.gz NOVPJPGVNAVXIU-HLLBOEOZSA-N 0 3 392.849 3.710 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000389787113 926387520 /nfs/dbraw/zinc/38/75/20/926387520.db2.gz MNTJAPGFMXQNQF-WFASDCNBSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC000389783078 926387849 /nfs/dbraw/zinc/38/78/49/926387849.db2.gz GDTNRBBFKCPKPM-DOMZBBRYSA-N 0 3 384.904 3.789 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c([O-])c1 ZINC000725850987 926468443 /nfs/dbraw/zinc/46/84/43/926468443.db2.gz KHFWWCGPKATJDU-LJQANCHMSA-N 0 3 375.472 3.895 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000753544199 929401772 /nfs/dbraw/zinc/40/17/72/929401772.db2.gz UZVGIYYAUCXHBG-PKOBYXMFSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000753544199 929401778 /nfs/dbraw/zinc/40/17/78/929401778.db2.gz UZVGIYYAUCXHBG-PKOBYXMFSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000753544199 929401785 /nfs/dbraw/zinc/40/17/85/929401785.db2.gz UZVGIYYAUCXHBG-PKOBYXMFSA-N 0 3 381.394 3.859 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000753569423 929423830 /nfs/dbraw/zinc/42/38/30/929423830.db2.gz DWJSUNMZGMUHTG-FYYLOGMGSA-N 0 3 393.483 3.545 20 10 GHCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800268 929804577 /nfs/dbraw/zinc/80/45/77/929804577.db2.gz YQENKOAWAZAGAM-HTAPYJJXSA-N 0 3 396.535 3.540 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000783596153 931591234 /nfs/dbraw/zinc/59/12/34/931591234.db2.gz CWRNNQTZZRZWNO-CQSZACIVSA-N 0 3 377.282 3.623 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000783596153 931591239 /nfs/dbraw/zinc/59/12/39/931591239.db2.gz CWRNNQTZZRZWNO-CQSZACIVSA-N 0 3 377.282 3.623 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000784621703 931960663 /nfs/dbraw/zinc/96/06/63/931960663.db2.gz UMMLOMWPSOEDPZ-QFIPXVFZSA-N 0 3 386.561 3.770 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2c1c(F)ccc2[O-] ZINC000797086299 932176655 /nfs/dbraw/zinc/17/66/55/932176655.db2.gz LPLJISJWKOHCEV-XHDPSFHLSA-N 0 3 391.874 3.956 20 10 GHCDHN C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000797113459 932186692 /nfs/dbraw/zinc/18/66/92/932186692.db2.gz NCDPPAAGRKTDPD-APWZRJJASA-N 0 3 385.474 3.591 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2[O-])s1 ZINC000797141648 932199442 /nfs/dbraw/zinc/19/94/42/932199442.db2.gz SWLMTGCXOLDXCK-IPYPFGDCSA-N 0 3 376.526 3.819 20 10 GHCDHN CN(CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000797972613 932475114 /nfs/dbraw/zinc/47/51/14/932475114.db2.gz WBQWIERUSSVUJB-SFHVURJKSA-N 0 3 378.513 3.630 20 10 GHCDHN CN(CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000797972613 932475117 /nfs/dbraw/zinc/47/51/17/932475117.db2.gz WBQWIERUSSVUJB-SFHVURJKSA-N 0 3 378.513 3.630 20 10 GHCDHN Cc1cc(CN2CCC(NC(=O)c3ccccn3)CC2)c(C)n1-c1ccccc1 ZINC001137858980 935829823 /nfs/dbraw/zinc/82/98/23/935829823.db2.gz DDFJGQVMUAMIAP-UHFFFAOYSA-N 0 3 388.515 3.884 20 10 GHCDHN Cc1ccccc1C(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001221654943 1032498246 /nfs/dbraw/zinc/49/82/46/1032498246.db2.gz KCPVTFIBECVYTM-JOCHJYFZSA-N 0 3 396.579 3.941 20 10 GHCDHN CCO[C@H]1C[C@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1(C)C ZINC001204239536 1032682755 /nfs/dbraw/zinc/68/27/55/1032682755.db2.gz WQKIOPAAERPSMP-ROUUACIJSA-N 0 3 376.472 3.739 20 10 GHCDHN CCOC[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2cnn(C)c21 ZINC001204239081 1032682819 /nfs/dbraw/zinc/68/28/19/1032682819.db2.gz ULFMNNZRQOHRTB-LJQANCHMSA-N 0 3 378.520 3.775 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204275721 1032716830 /nfs/dbraw/zinc/71/68/30/1032716830.db2.gz AANWHLCYLHNRJM-NRFANRHFSA-N 0 3 376.497 3.711 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204275721 1032716840 /nfs/dbraw/zinc/71/68/40/1032716840.db2.gz AANWHLCYLHNRJM-NRFANRHFSA-N 0 3 376.497 3.711 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276575 1032717768 /nfs/dbraw/zinc/71/77/68/1032717768.db2.gz NKNZLSHZRWWJPE-SJORKVTESA-N 0 3 390.524 3.957 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276575 1032717776 /nfs/dbraw/zinc/71/77/76/1032717776.db2.gz NKNZLSHZRWWJPE-SJORKVTESA-N 0 3 390.524 3.957 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834492116 1021220951 /nfs/dbraw/zinc/22/09/51/1021220951.db2.gz MWECZKULPQGOPA-KXBFYZLASA-N 0 3 388.533 3.761 20 10 GHCDHN Cc1ccc(N2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)cc1C ZINC001140281485 1021309962 /nfs/dbraw/zinc/30/99/62/1021309962.db2.gz GRPGNDMVLFYSMW-UHFFFAOYSA-N 0 3 379.548 3.587 20 10 GHCDHN O=C(c1ccccc1Cl)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000902664960 1021529040 /nfs/dbraw/zinc/52/90/40/1021529040.db2.gz OZRQLKRUKRVNFJ-LJQANCHMSA-N 0 3 387.863 3.566 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000835026132 1021783276 /nfs/dbraw/zinc/78/32/76/1021783276.db2.gz QELYNAYNGDEGIS-TWGQIWQCSA-N 0 3 377.532 3.794 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000835044211 1021804527 /nfs/dbraw/zinc/80/45/27/1021804527.db2.gz HMWOLZSGCNYION-DYRFGFBLSA-N 0 3 381.564 3.880 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140850505 1022695806 /nfs/dbraw/zinc/69/58/06/1022695806.db2.gz NGRDAAHRFAYJPF-KRWDZBQOSA-N 0 3 377.529 3.728 20 10 GHCDHN COc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000754726502 1022860622 /nfs/dbraw/zinc/86/06/22/1022860622.db2.gz KCIQGTIJSHAMHX-HNNXBMFYSA-N 0 3 378.513 3.797 20 10 GHCDHN COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCCC1 ZINC000756131648 1023531299 /nfs/dbraw/zinc/53/12/99/1023531299.db2.gz KRCUAWDRYRNLIB-UHFFFAOYSA-N 0 3 386.286 3.519 20 10 GHCDHN Cc1ccc(N2C[C@@]3(CCN(Cc4ccc5c(c4)OCCN5C)C3)CC2=O)s1 ZINC001141140472 1023569662 /nfs/dbraw/zinc/56/96/62/1023569662.db2.gz FPBMTPRQCXFEHV-QFIPXVFZSA-N 0 3 397.544 3.514 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756355958 1023603266 /nfs/dbraw/zinc/60/32/66/1023603266.db2.gz XWBOGMWDOJCPHI-KBMXLJTQSA-N 0 3 376.497 3.804 20 10 GHCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756515034 1023693322 /nfs/dbraw/zinc/69/33/22/1023693322.db2.gz KZKJQXFGLCTUDY-HNAYVOBHSA-N 0 3 397.494 3.538 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)c2c1c(F)ccc2[O-] ZINC000756736058 1023792968 /nfs/dbraw/zinc/79/29/68/1023792968.db2.gz KYZYIEPHASIJDA-AYOQOUSVSA-N 0 3 382.479 3.903 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000756770558 1023808262 /nfs/dbraw/zinc/80/82/62/1023808262.db2.gz YLIYIYCYXFNBLA-INZKUCGCSA-N 0 3 380.822 3.946 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138218480 1024388654 /nfs/dbraw/zinc/38/86/54/1024388654.db2.gz IFAUVLSFWMVCRY-FPOVZHCZSA-N 0 3 379.504 3.616 20 10 GHCDHN Cc1c(CN2CCC3(CC2)OC(=O)Nc2ncccc23)c2ccccc2n1C ZINC001138257876 1024485493 /nfs/dbraw/zinc/48/54/93/1024485493.db2.gz BGPCFNPMSSCOBF-UHFFFAOYSA-N 0 3 376.460 3.935 20 10 GHCDHN COc1ccccc1OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499007 1024931354 /nfs/dbraw/zinc/93/13/54/1024931354.db2.gz SEDWESCDBINTTH-UHFFFAOYSA-N 0 3 382.504 3.575 20 10 GHCDHN COC(C)(C)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138678390 1025203567 /nfs/dbraw/zinc/20/35/67/1025203567.db2.gz BUOBXQZGVBFXKD-SFHVURJKSA-N 0 3 397.357 3.675 20 10 GHCDHN CN(C)c1ccc([C@H](N)CNC(=O)CC(C)(C)CC(=O)c2ccccc2)cc1 ZINC000832285522 1025407358 /nfs/dbraw/zinc/40/73/58/1025407358.db2.gz RKMBHEBTHQXTRB-HXUWFJFHSA-N 0 3 381.520 3.558 20 10 GHCDHN OC[C@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838984781 1025501386 /nfs/dbraw/zinc/50/13/86/1025501386.db2.gz WDIUJGNTVNVPSG-ZDUSSCGKSA-N 0 3 395.263 3.842 20 10 GHCDHN Cc1ccc(-c2n[nH]cc2CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146327 1025642642 /nfs/dbraw/zinc/64/26/42/1025642642.db2.gz COHYBVHKSJBXMY-UHFFFAOYSA-N 0 3 398.457 3.790 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054036 1026833735 /nfs/dbraw/zinc/83/37/35/1026833735.db2.gz ICCIIBVPLWXIJW-UHFFFAOYSA-N 0 3 396.418 3.574 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054036 1026833746 /nfs/dbraw/zinc/83/37/46/1026833746.db2.gz ICCIIBVPLWXIJW-UHFFFAOYSA-N 0 3 396.418 3.574 20 10 GHCDHN O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056353 1026835150 /nfs/dbraw/zinc/83/51/50/1026835150.db2.gz SBMWGIFDQVYMFF-UHFFFAOYSA-N 0 3 376.859 3.713 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001140063129 1026842746 /nfs/dbraw/zinc/84/27/46/1026842746.db2.gz LIQIUTNBQLCSEI-UHFFFAOYSA-N 0 3 395.482 3.554 20 10 GHCDHN Cc1ccc(C)c(CN2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1O ZINC001140178597 1026951592 /nfs/dbraw/zinc/95/15/92/1026951592.db2.gz PWSMXCGFDWSUQE-UHFFFAOYSA-N 0 3 390.524 3.611 20 10 GHCDHN CCOc1cccc(CN2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203602981 1027466395 /nfs/dbraw/zinc/46/63/95/1027466395.db2.gz DVARNNRDZFXJRL-NVXWUHKLSA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1cccc(C[N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203614299 1027478220 /nfs/dbraw/zinc/47/82/20/1027478220.db2.gz VFLSAENQKAKBLM-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1cccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203614299 1027478227 /nfs/dbraw/zinc/47/82/27/1027478227.db2.gz VFLSAENQKAKBLM-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000840895476 1027928168 /nfs/dbraw/zinc/92/81/68/1027928168.db2.gz YLVHXHZGMOLKDF-QRWLVFNGSA-N 0 3 390.524 3.639 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2nc3ccsc3s2)N(C)C)cc1 ZINC001215389785 1029184828 /nfs/dbraw/zinc/18/48/28/1029184828.db2.gz PGPQSEIABPQMLA-HNNXBMFYSA-N 0 3 389.550 3.848 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)Cc1ccc(C(F)(F)F)cc1 ZINC000842927464 1029692050 /nfs/dbraw/zinc/69/20/50/1029692050.db2.gz PONMWENVPHQIRT-RDJZCZTQSA-N 0 3 392.421 3.593 20 10 GHCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(C)c1O ZINC001276958210 1030931681 /nfs/dbraw/zinc/93/16/81/1030931681.db2.gz FFFLLWFBRKCGSJ-IAGOWNOFSA-N 0 3 395.341 3.829 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4ccn(C)c4c3)c2)CC1 ZINC001153552964 1031646033 /nfs/dbraw/zinc/64/60/33/1031646033.db2.gz SVXLCMUAKJIEBD-UHFFFAOYSA-N 0 3 376.504 3.961 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001220212450 1031838383 /nfs/dbraw/zinc/83/83/83/1031838383.db2.gz KCOCQRCHPMUMSC-BEFAXECRSA-N 0 3 395.890 3.746 20 10 GHCDHN Cc1ccc(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c([O-])c1 ZINC001205629431 1033500669 /nfs/dbraw/zinc/50/06/69/1033500669.db2.gz VUWXXDXOVYRFKT-UHFFFAOYSA-N 0 3 376.456 3.519 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c([O-])c1 ZINC001205629431 1033500675 /nfs/dbraw/zinc/50/06/75/1033500675.db2.gz VUWXXDXOVYRFKT-UHFFFAOYSA-N 0 3 376.456 3.519 20 10 GHCDHN COc1cc(C)c(C[NH2+]CCC[C@H]2CCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001205861175 1033610160 /nfs/dbraw/zinc/61/01/60/1033610160.db2.gz RBTYALLNIQCBBC-INIZCTEOSA-N 0 3 378.513 3.979 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469220 1034613708 /nfs/dbraw/zinc/61/37/08/1034613708.db2.gz UHMYMGAKMIALMH-DEOSSOPVSA-N 0 3 394.515 3.948 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469220 1034613719 /nfs/dbraw/zinc/61/37/19/1034613719.db2.gz UHMYMGAKMIALMH-DEOSSOPVSA-N 0 3 394.515 3.948 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001231468740 1034614513 /nfs/dbraw/zinc/61/45/13/1034614513.db2.gz IWHOXMHKFVYSRU-WMTXJRDZSA-N 0 3 395.499 3.597 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001231468740 1034614527 /nfs/dbraw/zinc/61/45/27/1034614527.db2.gz IWHOXMHKFVYSRU-WMTXJRDZSA-N 0 3 395.499 3.597 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001231468740 1034614532 /nfs/dbraw/zinc/61/45/32/1034614532.db2.gz IWHOXMHKFVYSRU-WMTXJRDZSA-N 0 3 395.499 3.597 20 10 GHCDHN CCOC(=O)C1CCN(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CC1 ZINC001231587611 1034741044 /nfs/dbraw/zinc/74/10/44/1034741044.db2.gz WQBZUAOSTXIQQD-UHFFFAOYSA-N 0 3 396.531 3.785 20 10 GHCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001231587975 1034742639 /nfs/dbraw/zinc/74/26/39/1034742639.db2.gz KGGGVIADWQLHTP-KRWDZBQOSA-N 0 3 386.492 3.613 20 10 GHCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001231587975 1034742649 /nfs/dbraw/zinc/74/26/49/1034742649.db2.gz KGGGVIADWQLHTP-KRWDZBQOSA-N 0 3 386.492 3.613 20 10 GHCDHN O=C1Nc2ncccc2C2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)O1 ZINC001231589273 1034742750 /nfs/dbraw/zinc/74/27/50/1034742750.db2.gz ADOOZLDZKGRDPK-UHFFFAOYSA-N 0 3 375.428 3.994 20 10 GHCDHN NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)cc1 ZINC001231589586 1034744850 /nfs/dbraw/zinc/74/48/50/1034744850.db2.gz LZQRKUNYUHLUNC-LJQANCHMSA-N 0 3 376.456 3.688 20 10 GHCDHN NC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)cc1 ZINC001231589586 1034744863 /nfs/dbraw/zinc/74/48/63/1034744863.db2.gz LZQRKUNYUHLUNC-LJQANCHMSA-N 0 3 376.456 3.688 20 10 GHCDHN COc1cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(O)cc1O ZINC001231634094 1034793299 /nfs/dbraw/zinc/79/32/99/1034793299.db2.gz IBESUSLUMNBRLO-UHFFFAOYSA-N 0 3 397.393 3.609 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c(O)c1 ZINC001231844850 1034938805 /nfs/dbraw/zinc/93/88/05/1034938805.db2.gz OJQSLYJTJYLQAI-PLMTUMEDSA-N 0 3 388.533 3.662 20 10 GHCDHN COc1ccc(N2CCN(CCCCOCc3ccccc3)CC2)c(OC)c1 ZINC001209262967 1035226453 /nfs/dbraw/zinc/22/64/53/1035226453.db2.gz IXJVRYNYFPATBC-UHFFFAOYSA-N 0 3 384.520 3.823 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@H](C)[C@@H]2C)c1O ZINC001248401186 1035815115 /nfs/dbraw/zinc/81/51/15/1035815115.db2.gz QNWXQXRIPYTEFS-QWRGUYRKSA-N 0 3 375.250 3.626 20 10 GHCDHN COc1ccc(O[C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)nc1 ZINC001233111764 1038903321 /nfs/dbraw/zinc/90/33/21/1038903321.db2.gz WUDCHRFDKJMKOP-MRXNPFEDSA-N 0 3 393.281 3.520 20 10 GHCDHN O=C1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]2CCCN12 ZINC001233198476 1038963527 /nfs/dbraw/zinc/96/35/27/1038963527.db2.gz GTAJMXRFYWETFJ-HNNXBMFYSA-N 0 3 389.293 3.505 20 10 GHCDHN O=C1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]2CCCN12 ZINC001233198476 1038963531 /nfs/dbraw/zinc/96/35/31/1038963531.db2.gz GTAJMXRFYWETFJ-HNNXBMFYSA-N 0 3 389.293 3.505 20 10 GHCDHN COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@H]1c1ccccc1 ZINC001233287907 1039068620 /nfs/dbraw/zinc/06/86/20/1039068620.db2.gz MTIFJMMMBZNTCR-AEFFLSMTSA-N 0 3 375.852 3.790 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001254205982 1040058547 /nfs/dbraw/zinc/05/85/47/1040058547.db2.gz QLOBWMHEDKWLDS-KRWDZBQOSA-N 0 3 376.497 3.636 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1 ZINC001234535951 1040108627 /nfs/dbraw/zinc/10/86/27/1040108627.db2.gz JCGWTMJTMMRMNP-IAGOWNOFSA-N 0 3 395.528 3.574 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(c5ccccc5)C(=O)[C@H]4C3)c2c1 ZINC001234543986 1040114945 /nfs/dbraw/zinc/11/49/45/1040114945.db2.gz CBHBTHZZINFNOO-UWJYYQICSA-N 0 3 388.467 3.649 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(c5ccccc5)C(=O)[C@H]4C3)c2c1 ZINC001234543986 1040114952 /nfs/dbraw/zinc/11/49/52/1040114952.db2.gz CBHBTHZZINFNOO-UWJYYQICSA-N 0 3 388.467 3.649 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC(C)(CNC(=O)OC(C)(C)C)C3)c2c1 ZINC001234570000 1040138893 /nfs/dbraw/zinc/13/88/93/1040138893.db2.gz VVNYKWOBWALBGD-UHFFFAOYSA-N 0 3 386.492 3.901 20 10 GHCDHN CCCCOC[C@@H](C)OC[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661902 1040197775 /nfs/dbraw/zinc/19/77/75/1040197775.db2.gz XAFKNZVQELEUAG-UXHICEINSA-N 0 3 378.557 3.818 20 10 GHCDHN COCCN1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cccnc21 ZINC001234987330 1040483813 /nfs/dbraw/zinc/48/38/13/1040483813.db2.gz GDOREAXYNVOVKB-UHFFFAOYSA-N 0 3 389.499 3.923 20 10 GHCDHN COCCN1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cccnc21 ZINC001234987330 1040483827 /nfs/dbraw/zinc/48/38/27/1040483827.db2.gz GDOREAXYNVOVKB-UHFFFAOYSA-N 0 3 389.499 3.923 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996874 1040492488 /nfs/dbraw/zinc/49/24/88/1040492488.db2.gz OFOGFEQLSIKXFX-FQEVSTJZSA-N 0 3 396.531 3.955 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996874 1040492492 /nfs/dbraw/zinc/49/24/92/1040492492.db2.gz OFOGFEQLSIKXFX-FQEVSTJZSA-N 0 3 396.531 3.955 20 10 GHCDHN COc1ccc(N2CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)nc1 ZINC001234999596 1040495071 /nfs/dbraw/zinc/49/50/71/1040495071.db2.gz XDGRKOBPXGNEQZ-UHFFFAOYSA-N 0 3 375.472 3.785 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c([O-])c1 ZINC001235680181 1041144877 /nfs/dbraw/zinc/14/48/77/1041144877.db2.gz SVLRJDDQCJZATJ-HDICACEKSA-N 0 3 384.545 3.955 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c([O-])c1 ZINC001235680181 1041144894 /nfs/dbraw/zinc/14/48/94/1041144894.db2.gz SVLRJDDQCJZATJ-HDICACEKSA-N 0 3 384.545 3.955 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001235681732 1041148087 /nfs/dbraw/zinc/14/80/87/1041148087.db2.gz JQZQNWMASQGZPC-WOJBJXKFSA-N 0 3 378.516 3.894 20 10 GHCDHN COc1cc(C)c(CN2CCN[C@@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797528 1041297771 /nfs/dbraw/zinc/29/77/71/1041297771.db2.gz VXEQHOYPLRRFNP-GOSISDBHSA-N 0 3 391.309 3.618 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCc3ccccc32)N(C)C)cc1 ZINC001256232133 1041667935 /nfs/dbraw/zinc/66/79/35/1041667935.db2.gz LEYHQFNPKUVPBY-FGZHOGPDSA-N 0 3 380.536 3.684 20 10 GHCDHN Cc1cc(CN(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)c([O-])cc1Br ZINC001236440675 1041712748 /nfs/dbraw/zinc/71/27/48/1041712748.db2.gz QHGMYZAFXHMOHE-QGZVFWFLSA-N 0 3 390.325 3.612 20 10 GHCDHN COC(=O)c1cccc(CN(Cc2cc(Cl)ccc2[O-])C2CC[NH2+]CC2)c1 ZINC001236465025 1041727510 /nfs/dbraw/zinc/72/75/10/1041727510.db2.gz NIBHZNJAKHOGSR-UHFFFAOYSA-N 0 3 388.895 3.586 20 10 GHCDHN COc1ccc(N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)CC2)cc1 ZINC001256469913 1041748958 /nfs/dbraw/zinc/74/89/58/1041748958.db2.gz SHPWSTBTIDGIEG-IEBWSBKVSA-N 0 3 389.540 3.605 20 10 GHCDHN COc1cc([O-])c(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c(Br)c1 ZINC001236662538 1041811310 /nfs/dbraw/zinc/81/13/10/1041811310.db2.gz KMFKMOAJUBSXKG-CQSZACIVSA-N 0 3 383.330 3.660 20 10 GHCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(OC)c(Br)cc1[O-])C2 ZINC001236747222 1041871040 /nfs/dbraw/zinc/87/10/40/1041871040.db2.gz WNVLWRZAIDFFBG-KDOFPFPSSA-N 0 3 384.314 3.802 20 10 GHCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(OC)c(Br)cc1[O-])C2 ZINC001236747222 1041871051 /nfs/dbraw/zinc/87/10/51/1041871051.db2.gz WNVLWRZAIDFFBG-KDOFPFPSSA-N 0 3 384.314 3.802 20 10 GHCDHN COc1cc(O)c(CN2CCN([C@@H]3CCCc4ccccc43)CC2)cc1OC ZINC001236755391 1041874497 /nfs/dbraw/zinc/87/44/97/1041874497.db2.gz CTMPPQORQLTVEA-HXUWFJFHSA-N 0 3 382.504 3.605 20 10 GHCDHN COC(=O)c1cccc(CN(C)Cc2cc(OC)c(Br)cc2O)c1 ZINC001236756136 1041875935 /nfs/dbraw/zinc/87/59/35/1041875935.db2.gz JIKYWAYADKFLMD-UHFFFAOYSA-N 0 3 394.265 3.582 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c([O-])c1 ZINC001236787418 1041893583 /nfs/dbraw/zinc/89/35/83/1041893583.db2.gz UZKBAVHYVDJQIL-HSZRJFAPSA-N 0 3 380.488 3.592 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c([O-])c1 ZINC001236787418 1041893586 /nfs/dbraw/zinc/89/35/86/1041893586.db2.gz UZKBAVHYVDJQIL-HSZRJFAPSA-N 0 3 380.488 3.592 20 10 GHCDHN CCc1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c(O)c1 ZINC001236788634 1041894143 /nfs/dbraw/zinc/89/41/43/1041894143.db2.gz VRXFDSRUTLDUKL-LADGPHEKSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)c([O-])c1 ZINC001236808741 1041909431 /nfs/dbraw/zinc/90/94/31/1041909431.db2.gz LLOUOEXLEHSBLI-UHFFFAOYSA-N 0 3 386.536 3.714 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809348 1041909611 /nfs/dbraw/zinc/90/96/11/1041909611.db2.gz VVBYXCPEJWEREN-MAUKXSAKSA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809348 1041909612 /nfs/dbraw/zinc/90/96/12/1041909612.db2.gz VVBYXCPEJWEREN-MAUKXSAKSA-N 0 3 376.497 3.541 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])CCO[C@@H]2C1 ZINC001236827980 1041919226 /nfs/dbraw/zinc/91/92/26/1041919226.db2.gz YGWBAZAJNAFELD-PZJWPPBQSA-N 0 3 398.503 3.613 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])CCO[C@@H]2C1 ZINC001236827980 1041919232 /nfs/dbraw/zinc/91/92/32/1041919232.db2.gz YGWBAZAJNAFELD-PZJWPPBQSA-N 0 3 398.503 3.613 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001236832798 1041922150 /nfs/dbraw/zinc/92/21/50/1041922150.db2.gz QKBAMQQFSXGTAM-NWSQWKLXSA-N 0 3 376.456 3.751 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001236832798 1041922152 /nfs/dbraw/zinc/92/21/52/1041922152.db2.gz QKBAMQQFSXGTAM-NWSQWKLXSA-N 0 3 376.456 3.751 20 10 GHCDHN COc1ccc(C(=O)NC2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)cc1 ZINC001236839600 1041924099 /nfs/dbraw/zinc/92/40/99/1041924099.db2.gz GZFKBZMWOAUNJZ-UHFFFAOYSA-N 0 3 390.483 3.948 20 10 GHCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236845738 1041926460 /nfs/dbraw/zinc/92/64/60/1041926460.db2.gz LDADPCVVMWNDNJ-QGZVFWFLSA-N 0 3 376.497 3.896 20 10 GHCDHN CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236845738 1041926462 /nfs/dbraw/zinc/92/64/62/1041926462.db2.gz LDADPCVVMWNDNJ-QGZVFWFLSA-N 0 3 376.497 3.896 20 10 GHCDHN CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237047962 1042006443 /nfs/dbraw/zinc/00/64/43/1042006443.db2.gz GOGOASNVHQTKPO-OAQYLSRUSA-N 0 3 388.552 3.659 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001237047756 1042006895 /nfs/dbraw/zinc/00/68/95/1042006895.db2.gz DQXHMAVMERFDGD-GCJKJVERSA-N 0 3 386.467 3.577 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001237047756 1042006901 /nfs/dbraw/zinc/00/69/01/1042006901.db2.gz DQXHMAVMERFDGD-GCJKJVERSA-N 0 3 386.467 3.577 20 10 GHCDHN Cc1ccc(CN2CCN(Cc3ccc(OCC(F)(F)F)cc3O)CC2)cc1 ZINC001237055199 1042012925 /nfs/dbraw/zinc/01/29/25/1042012925.db2.gz BGOOUXRVKGIOLS-UHFFFAOYSA-N 0 3 394.437 3.960 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001237484651 1042228961 /nfs/dbraw/zinc/22/89/61/1042228961.db2.gz GOILHGYXDDAJTA-DOTOQJQBSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001237484651 1042228966 /nfs/dbraw/zinc/22/89/66/1042228966.db2.gz GOILHGYXDDAJTA-DOTOQJQBSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001237677754 1042318318 /nfs/dbraw/zinc/31/83/18/1042318318.db2.gz DBJTVNXBNWSNRG-AWEZNQCLSA-N 0 3 399.329 3.904 20 10 GHCDHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001237677754 1042318325 /nfs/dbraw/zinc/31/83/25/1042318325.db2.gz DBJTVNXBNWSNRG-AWEZNQCLSA-N 0 3 399.329 3.904 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc(Cl)cc(C)c4[O-])C[C@@H]3C2=O)c1 ZINC001237687295 1042327500 /nfs/dbraw/zinc/32/75/00/1042327500.db2.gz YTEZALKKMQXANG-ICSRJNTNSA-N 0 3 384.907 3.753 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cc(Cl)cc(C)c4[O-])C[C@@H]3C2=O)c1 ZINC001237687295 1042327508 /nfs/dbraw/zinc/32/75/08/1042327508.db2.gz YTEZALKKMQXANG-ICSRJNTNSA-N 0 3 384.907 3.753 20 10 GHCDHN CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463279643 1070959717 /nfs/dbraw/zinc/95/97/17/1070959717.db2.gz JHACAKPJZUHROL-XZOQPEGZSA-N 0 3 381.564 3.986 20 10 GHCDHN COc1ccccc1CC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463284428 1070962544 /nfs/dbraw/zinc/96/25/44/1070962544.db2.gz RJCSNSWJYZJLFU-NRFANRHFSA-N 0 3 397.563 3.749 20 10 GHCDHN CC[C@H](C)n1nc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001310473363 1051381688 /nfs/dbraw/zinc/38/16/88/1051381688.db2.gz BGRFZDCCFAXTMB-KXBFYZLASA-N 0 3 386.544 3.653 20 10 GHCDHN CC[C@H](C)n1nc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001310473362 1051381965 /nfs/dbraw/zinc/38/19/65/1051381965.db2.gz BGRFZDCCFAXTMB-HNAYVOBHSA-N 0 3 386.544 3.653 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001312658513 1052828366 /nfs/dbraw/zinc/82/83/66/1052828366.db2.gz FMNGZGBWNKGLEW-YCRNBWNJSA-N 0 3 396.579 3.983 20 10 GHCDHN Cc1cc(F)cc2c1CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001313410857 1053045906 /nfs/dbraw/zinc/04/59/06/1053045906.db2.gz GHSSMKVDEUPDHA-JOCHJYFZSA-N 0 3 398.526 3.571 20 10 GHCDHN CCC1(CC)CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCS1 ZINC001313416937 1053048324 /nfs/dbraw/zinc/04/83/24/1053048324.db2.gz PPQRDJYZQRQZPP-IBGZPJMESA-N 0 3 392.613 3.673 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001313417120 1053048332 /nfs/dbraw/zinc/04/83/32/1053048332.db2.gz RFQVCCZIGVZKNL-ISKFKSNPSA-N 0 3 394.563 3.906 20 10 GHCDHN CCCN1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001319133994 1055054200 /nfs/dbraw/zinc/05/42/00/1055054200.db2.gz QOPCDOYAEWEKIE-QFBILLFUSA-N 0 3 395.494 3.638 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C2CCC3(CCOCC3)CC2)c1[O-] ZINC001323475009 1056975220 /nfs/dbraw/zinc/97/52/20/1056975220.db2.gz FVZLVCLHULEKMN-UHFFFAOYSA-N 0 3 384.314 3.992 20 10 GHCDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000848526907 1057150117 /nfs/dbraw/zinc/15/01/17/1057150117.db2.gz LYHMQASZYMLXCZ-OAQYLSRUSA-N 0 3 381.476 3.581 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)c1[O-] ZINC000848530373 1057151910 /nfs/dbraw/zinc/15/19/10/1057151910.db2.gz ZPTOERVFCWUEJQ-BLLLJJGKSA-N 0 3 380.282 3.938 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1[O-] ZINC000848532263 1057153480 /nfs/dbraw/zinc/15/34/80/1057153480.db2.gz BPOASSLAYNHKIO-COPLHBTASA-N 0 3 384.270 3.919 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(SC)CCOCC2)c1[O-] ZINC000848534918 1057156763 /nfs/dbraw/zinc/15/67/63/1057156763.db2.gz WGUBDAGMJZAPHH-NSHDSACASA-N 0 3 390.343 3.726 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)N(C)C)cc1 ZINC001439960811 1058367347 /nfs/dbraw/zinc/36/73/47/1058367347.db2.gz OKPZDXZUIWAHKB-SONWIMMPSA-N 0 3 391.559 3.766 20 10 GHCDHN COc1cc(F)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(Cl)c1 ZINC001439961644 1058368192 /nfs/dbraw/zinc/36/81/92/1058368192.db2.gz RSRDNBWVPDRGFY-SFHVURJKSA-N 0 3 393.890 3.586 20 10 GHCDHN CC(C)Cn1nccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001200400295 1066103176 /nfs/dbraw/zinc/10/31/76/1066103176.db2.gz GVZPRPRIWVCJIJ-GOSISDBHSA-N 0 3 376.932 3.652 20 10 GHCDHN C[C@@H](CCCC(F)(F)F)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001470077419 1068558359 /nfs/dbraw/zinc/55/83/59/1068558359.db2.gz FGZCDTIZZRIKMR-WMLDXEAASA-N 0 3 388.478 3.776 20 10 GHCDHN C[C@@H](CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001478542143 1078910713 /nfs/dbraw/zinc/91/07/13/1078910713.db2.gz MSWDROGXCNVROS-PGRDOPGGSA-N 0 3 382.552 3.848 20 10 GHCDHN CC[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1c1ccccc1 ZINC001473213769 1073864328 /nfs/dbraw/zinc/86/43/28/1073864328.db2.gz PQBYSUPMMLVLQS-NFBKMPQASA-N 0 3 379.548 3.885 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)C(=O)NC(C)(C)C ZINC001473987510 1074227088 /nfs/dbraw/zinc/22/70/88/1074227088.db2.gz ZOHQIMIFXICJAP-CQSZACIVSA-N 0 3 396.373 3.832 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001474450303 1074412115 /nfs/dbraw/zinc/41/21/15/1074412115.db2.gz LGQMDXONWUFNSF-GOSISDBHSA-N 0 3 391.437 3.975 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382444498 838626234 /nfs/dbraw/zinc/62/62/34/838626234.db2.gz IQQJXXLOPUOALS-IUODEOHRSA-N 0 3 384.904 3.837 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000053540795 841747390 /nfs/dbraw/zinc/74/73/90/841747390.db2.gz PVOKSAWHEXEVBL-QFIPXVFZSA-N 0 3 380.536 3.731 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1F ZINC000176037082 843556385 /nfs/dbraw/zinc/55/63/85/843556385.db2.gz RSBIRWKHMSORNF-UHFFFAOYSA-N 0 3 398.526 3.698 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3-n3cccn3)c2)CC1 ZINC000162965894 843711453 /nfs/dbraw/zinc/71/14/53/843711453.db2.gz LNQSWDSRMVRZDQ-UHFFFAOYSA-N 0 3 389.503 3.655 20 10 GHCDHN COc1ccc(C[N@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1OC ZINC000892205729 846493631 /nfs/dbraw/zinc/49/36/31/846493631.db2.gz JWWQVMJLJXLTCZ-UHFFFAOYSA-N 0 3 394.512 3.677 20 10 GHCDHN COc1ccc(C[N@@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1OC ZINC000892205729 846493633 /nfs/dbraw/zinc/49/36/33/846493633.db2.gz JWWQVMJLJXLTCZ-UHFFFAOYSA-N 0 3 394.512 3.677 20 10 GHCDHN C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000272130093 846997455 /nfs/dbraw/zinc/99/74/55/846997455.db2.gz RORGICHMPXXQLR-DNVCBOLYSA-N 0 3 396.457 3.511 20 10 GHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000731846376 861905166 /nfs/dbraw/zinc/90/51/66/861905166.db2.gz XEMQGUJNUVFSNL-UHFFFAOYSA-N 0 3 382.460 3.894 20 10 GHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000731846376 861905179 /nfs/dbraw/zinc/90/51/79/861905179.db2.gz XEMQGUJNUVFSNL-UHFFFAOYSA-N 0 3 382.460 3.894 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(CC(=O)NC3CCCC3)CC2)c1O ZINC000761194679 859049691 /nfs/dbraw/zinc/04/96/91/859049691.db2.gz CCONRIBJKBFOKU-UHFFFAOYSA-N 0 3 380.916 3.715 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@@]12CCCO2 ZINC000761218863 859391714 /nfs/dbraw/zinc/39/17/14/859391714.db2.gz KZIODLWOCDHCMW-ZRBLBEILSA-N 0 3 383.488 3.787 20 10 GHCDHN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)ccc1Br ZINC000765004795 859732007 /nfs/dbraw/zinc/73/20/07/859732007.db2.gz XKQGZLHSZUUSJD-GUYCJALGSA-N 0 3 389.293 3.919 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000765255535 859873271 /nfs/dbraw/zinc/87/32/71/859873271.db2.gz RATBWJXJGMFPTI-UKRRQHHQSA-N 0 3 391.437 3.656 20 10 GHCDHN CC[C@@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(N(C)C)cc1 ZINC000765267260 859874716 /nfs/dbraw/zinc/87/47/16/859874716.db2.gz RIUKEORGFNHCIW-OAQYLSRUSA-N 0 3 389.565 3.680 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000765288594 859891218 /nfs/dbraw/zinc/89/12/18/859891218.db2.gz XZNNMRCVAZXPND-HNNXBMFYSA-N 0 3 397.494 3.522 20 10 GHCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2cnccc2o1 ZINC000896263870 860588681 /nfs/dbraw/zinc/58/86/81/860588681.db2.gz IUYPXPWVZXAVIP-HNAYVOBHSA-N 0 3 395.507 3.557 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000103593985 881589397 /nfs/dbraw/zinc/58/93/97/881589397.db2.gz ZZQAOLIPZKPZDI-OXQOHEQNSA-N 0 3 383.492 3.598 20 10 GHCDHN CCOc1cccc(N2CC[NH+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)n1 ZINC000730259070 860979121 /nfs/dbraw/zinc/97/91/21/860979121.db2.gz OGIRNGMGNIMDIB-UHFFFAOYSA-N 0 3 393.487 3.670 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000792840659 881746357 /nfs/dbraw/zinc/74/63/57/881746357.db2.gz JFBKFRHTSNEAID-HKUYNNGSSA-N 0 3 396.457 3.593 20 10 GHCDHN C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1[O-] ZINC000183512276 866822058 /nfs/dbraw/zinc/82/20/58/866822058.db2.gz CKXOZEURWCIENW-MRXNPFEDSA-N 0 3 376.460 3.960 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@@H](C)C3)ccc21 ZINC000553782234 868191551 /nfs/dbraw/zinc/19/15/51/868191551.db2.gz AZDBJSNQOSJEKH-SEPYTNNBSA-N 0 3 397.563 3.707 20 10 GHCDHN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCCC1 ZINC000743735071 868398912 /nfs/dbraw/zinc/39/89/12/868398912.db2.gz CPUOJADIWRYKGJ-DLBZAZTESA-N 0 3 395.494 3.638 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000745293677 869437926 /nfs/dbraw/zinc/43/79/26/869437926.db2.gz SKDACCOUKQOGQZ-QHCPKHFHSA-N 0 3 396.579 3.846 20 10 GHCDHN COCCN1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000920822748 882371790 /nfs/dbraw/zinc/37/17/90/882371790.db2.gz UXJKLSQASDQCOL-UHFFFAOYSA-N 0 3 389.927 3.588 20 10 GHCDHN CCc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920870883 882427206 /nfs/dbraw/zinc/42/72/06/882427206.db2.gz UGLIVAFFQKEDJD-QZTJIDSGSA-N 0 3 381.520 3.763 20 10 GHCDHN C[C@H](NCc1ccnn1CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000766561039 871073074 /nfs/dbraw/zinc/07/30/74/871073074.db2.gz PTQJBNLOWJOTNK-FQEVSTJZSA-N 0 3 390.531 3.813 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC)c(C4CC4)c3)c2)CC1 ZINC000766890296 872054425 /nfs/dbraw/zinc/05/44/25/872054425.db2.gz CVDDNWVQOQRTJY-UHFFFAOYSA-N 0 3 379.504 3.967 20 10 GHCDHN Cc1ccc(O[C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)nc1 ZINC000858013617 882722007 /nfs/dbraw/zinc/72/20/07/882722007.db2.gz UTNHQDNPOZHYDH-MRXNPFEDSA-N 0 3 377.282 3.820 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000769420966 874036133 /nfs/dbraw/zinc/03/61/33/874036133.db2.gz USYBIVXDQIICSF-OAHLLOKOSA-N 0 3 383.410 3.751 20 10 GHCDHN FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000858221928 882953432 /nfs/dbraw/zinc/95/34/32/882953432.db2.gz PELSYQRJOWWFMR-UYAOXDASSA-N 0 3 392.421 3.547 20 10 GHCDHN CCOC(=O)C1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000776174920 875691514 /nfs/dbraw/zinc/69/15/14/875691514.db2.gz FJNKACLTZYKXEN-XUJQIHCRSA-N 0 3 394.943 3.722 20 10 GHCDHN C[C@@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000776245500 876027107 /nfs/dbraw/zinc/02/71/07/876027107.db2.gz HKIUKIPMEFRZOT-GCJKJVERSA-N 0 3 380.536 3.730 20 10 GHCDHN C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000776245494 876027150 /nfs/dbraw/zinc/02/71/50/876027150.db2.gz HKIUKIPMEFRZOT-AVRDEDQJSA-N 0 3 380.536 3.730 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000850531440 877002021 /nfs/dbraw/zinc/00/20/21/877002021.db2.gz DXIGZFWPQTUTIH-YVLXSGLVSA-N 0 3 376.241 3.928 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000850565108 877030144 /nfs/dbraw/zinc/03/01/44/877030144.db2.gz AGUPIXISXBXUSQ-IBGZPJMESA-N 0 3 390.531 3.743 20 10 GHCDHN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000787675120 877521791 /nfs/dbraw/zinc/52/17/91/877521791.db2.gz XCBIXZPEBATHED-IBGZPJMESA-N 0 3 395.547 3.728 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000152274944 877527714 /nfs/dbraw/zinc/52/77/14/877527714.db2.gz SHKNBZMATQOSQF-UHFFFAOYSA-N 0 3 392.293 3.893 20 10 GHCDHN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000787669329 877542452 /nfs/dbraw/zinc/54/24/52/877542452.db2.gz HTUGQHMAGNILLY-IBGZPJMESA-N 0 3 395.547 3.728 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1NCc2ccccc21 ZINC000852812190 878615333 /nfs/dbraw/zinc/61/53/33/878615333.db2.gz PHGDIUVRBWUNNW-KRWDZBQOSA-N 0 3 389.293 3.738 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000854245937 879657613 /nfs/dbraw/zinc/65/76/13/879657613.db2.gz MZCMGNNPBBSHKD-OAHLLOKOSA-N 0 3 398.345 3.559 20 10 GHCDHN CC(C)n1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)c(=O)[nH]c1=O ZINC001183511411 912608553 /nfs/dbraw/zinc/60/85/53/912608553.db2.gz NNNNUJBIDDNECK-UHFFFAOYSA-N 0 3 398.532 3.518 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000103597063 883287240 /nfs/dbraw/zinc/28/72/40/883287240.db2.gz QPPPBHZXMYCLCU-WMLDXEAASA-N 0 3 389.521 3.660 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000116446735 883501053 /nfs/dbraw/zinc/50/10/53/883501053.db2.gz GIKFKHLVBWVPFC-DOTOQJQBSA-N 0 3 386.467 3.629 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000118783694 886196176 /nfs/dbraw/zinc/19/61/76/886196176.db2.gz OLQYRLDKPMKNJU-UHFFFAOYSA-N 0 3 381.520 3.587 20 10 GHCDHN COC(=O)C[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001184189332 913047794 /nfs/dbraw/zinc/04/77/94/913047794.db2.gz VBSBIJMGCBQQQU-QGZVFWFLSA-N 0 3 392.293 3.727 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000794564687 887391610 /nfs/dbraw/zinc/39/16/10/887391610.db2.gz GPDDGQWXXZQRIE-HOTGVXAUSA-N 0 3 377.492 3.821 20 10 GHCDHN C[C@@H]1OCC[C@]12C[N@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670285 887715664 /nfs/dbraw/zinc/71/56/64/887715664.db2.gz VZIRMYXYEDBFAT-DJJJIMSYSA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@@H]1OCC[C@]12C[N@@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670285 887715674 /nfs/dbraw/zinc/71/56/74/887715674.db2.gz VZIRMYXYEDBFAT-DJJJIMSYSA-N 0 3 392.293 3.688 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000809793579 887847604 /nfs/dbraw/zinc/84/76/04/887847604.db2.gz HHOFUHNWPMLKOT-UHFFFAOYSA-N 0 3 381.236 3.579 20 10 GHCDHN CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C)cc1[O-] ZINC000794801628 888074133 /nfs/dbraw/zinc/07/41/33/888074133.db2.gz ANWCTHWXARXHDZ-NRFANRHFSA-N 0 3 399.510 3.619 20 10 GHCDHN CC[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C)cc1[O-] ZINC000794810248 888154733 /nfs/dbraw/zinc/15/47/33/888154733.db2.gz KOTASGCDQAEYKQ-QGZVFWFLSA-N 0 3 391.309 3.934 20 10 GHCDHN C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000763339402 888513625 /nfs/dbraw/zinc/51/36/25/888513625.db2.gz QQUUWOQVQIEJMT-LAUBAEHRSA-N 0 3 393.531 3.749 20 10 GHCDHN C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000763339402 888513634 /nfs/dbraw/zinc/51/36/34/888513634.db2.gz QQUUWOQVQIEJMT-LAUBAEHRSA-N 0 3 393.531 3.749 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(OC)c1OC ZINC000866391235 888854836 /nfs/dbraw/zinc/85/48/36/888854836.db2.gz CPKNHIUPKGXLLO-OAQYLSRUSA-N 0 3 384.520 3.906 20 10 GHCDHN CN(CCn1cnc2ccccc2c1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000154083727 889169066 /nfs/dbraw/zinc/16/90/66/889169066.db2.gz KIPSPPAJFBYSGL-UHFFFAOYSA-N 0 3 376.504 3.519 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)N(C)C)cc1 ZINC001134686539 893201336 /nfs/dbraw/zinc/20/13/36/893201336.db2.gz NYUWRXARFNHBJZ-HBMCJLEFSA-N 0 3 385.939 3.929 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)N(C)C)cc1 ZINC001134686857 893201639 /nfs/dbraw/zinc/20/16/39/893201639.db2.gz YLGAAYZJWVLSEN-QPPBQGQZSA-N 0 3 379.548 3.839 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2OC2CCC2)N(C)C)cc1 ZINC001134682114 893219291 /nfs/dbraw/zinc/21/92/91/893219291.db2.gz VRXRVFOKFOLNLK-OAQYLSRUSA-N 0 3 381.520 3.717 20 10 GHCDHN OC1CCN(c2ccc(CNc3ccccc3CN3CCSCC3)cc2)CC1 ZINC000876855297 893362535 /nfs/dbraw/zinc/36/25/35/893362535.db2.gz XFZWPFLYMXFNRC-UHFFFAOYSA-N 0 3 397.588 3.809 20 10 GHCDHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000815154512 893492809 /nfs/dbraw/zinc/49/28/09/893492809.db2.gz DHYYGSKIWXOIND-QRWLVFNGSA-N 0 3 387.474 3.873 20 10 GHCDHN COc1ccccc1[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882621 893506667 /nfs/dbraw/zinc/50/66/67/893506667.db2.gz SATUSVYQTRCJQV-DYESRHJHSA-N 0 3 383.536 3.674 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Br)cs2)N(C)C)cc1 ZINC001134882991 893506732 /nfs/dbraw/zinc/50/67/32/893506732.db2.gz WOCZYISMTRINJR-OAHLLOKOSA-N 0 3 396.354 3.609 20 10 GHCDHN COc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1Cn1cccn1 ZINC000877576649 893700238 /nfs/dbraw/zinc/70/02/38/893700238.db2.gz NLCMLPQNSHBLPG-FQEVSTJZSA-N 0 3 385.533 3.851 20 10 GHCDHN OCC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000877664621 893751455 /nfs/dbraw/zinc/75/14/55/893751455.db2.gz UWMSTRYKDMJNRW-NRFANRHFSA-N 0 3 392.902 3.654 20 10 GHCDHN COc1cc(O)c(CN[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000877664703 893751896 /nfs/dbraw/zinc/75/18/96/893751896.db2.gz WAMAZJWTWOUZEJ-INIZCTEOSA-N 0 3 398.425 3.821 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(P(C)(C)=O)cc3)c2)CC1 ZINC000935181827 894255018 /nfs/dbraw/zinc/25/50/18/894255018.db2.gz VTPWJWHIXHDWNG-UHFFFAOYSA-N 0 3 399.475 3.717 20 10 GHCDHN C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817969701 895988049 /nfs/dbraw/zinc/98/80/49/895988049.db2.gz YCBQZWYKMGIPEB-ZDMBXUJBSA-N 0 3 392.135 3.566 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000026310988 897141380 /nfs/dbraw/zinc/14/13/80/897141380.db2.gz KIUPKVJDKQNKTC-KRWDZBQOSA-N 0 3 389.565 3.634 20 10 GHCDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(C)=O ZINC000155338343 898642294 /nfs/dbraw/zinc/64/22/94/898642294.db2.gz QIUJJLONWUONHV-IRXDYDNUSA-N 0 3 397.519 3.902 20 10 GHCDHN Cc1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c(O)c1O ZINC001136685760 898897597 /nfs/dbraw/zinc/89/75/97/898897597.db2.gz JEDWMDWXTUEPGC-UHFFFAOYSA-N 0 3 388.895 3.702 20 10 GHCDHN CCc1nc2c(s1)[C@H](NCc1ccc(N3CCC(C(N)=O)CC3)cc1)CCC2 ZINC000886747288 901251274 /nfs/dbraw/zinc/25/12/74/901251274.db2.gz PNLDLHSFJSNPHV-GOSISDBHSA-N 0 3 398.576 3.574 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144287206 901654521 /nfs/dbraw/zinc/65/45/21/901654521.db2.gz NOCMJISVAWWGHU-UHFFFAOYSA-N 0 3 384.476 3.625 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1[O-] ZINC000779013479 902803285 /nfs/dbraw/zinc/80/32/85/902803285.db2.gz RGPXHOBXVQLPLF-SWLSCSKDSA-N 0 3 398.272 3.693 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000779011099 902812875 /nfs/dbraw/zinc/81/28/75/902812875.db2.gz DOQWYZQPPQSOFB-KBPBESRZSA-N 0 3 391.309 3.819 20 10 GHCDHN O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCN1CC(F)(F)F ZINC000772959870 903447811 /nfs/dbraw/zinc/44/78/11/903447811.db2.gz SYZIIDJWDLNGQG-QGZVFWFLSA-N 0 3 378.394 3.702 20 10 GHCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000151557259 904156008 /nfs/dbraw/zinc/15/60/08/904156008.db2.gz JAEWZOTVYJYMAZ-KRWDZBQOSA-N 0 3 381.520 3.705 20 10 GHCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000779191582 905267357 /nfs/dbraw/zinc/26/73/57/905267357.db2.gz SQAHAHKIOKURFC-CYBMUJFWSA-N 0 3 399.329 3.810 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000801596238 921174905 /nfs/dbraw/zinc/17/49/05/921174905.db2.gz VHNVMYBPZPYLKI-AWEZNQCLSA-N 0 3 382.464 3.603 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000177779085 906215883 /nfs/dbraw/zinc/21/58/83/906215883.db2.gz HQANLTCWUOBKBV-UHFFFAOYSA-N 0 3 380.536 3.559 20 10 GHCDHN Cc1ccc(C[C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000078700535 907271965 /nfs/dbraw/zinc/27/19/65/907271965.db2.gz CBNWAXSZWZHHRY-HSZRJFAPSA-N 0 3 379.548 3.727 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCCc2nnc(SC)n2CC(C)C)c1[O-] ZINC000184707832 907643454 /nfs/dbraw/zinc/64/34/54/907643454.db2.gz YQFLDILKLHMIKK-UHFFFAOYSA-N 0 3 398.960 3.746 20 10 GHCDHN CCOC(=O)c1csc(C2CCN(Cc3cccc(OCC)c3O)CC2)n1 ZINC000192036675 908711533 /nfs/dbraw/zinc/71/15/33/908711533.db2.gz ODOIKJUJUIRWPX-UHFFFAOYSA-N 0 3 390.505 3.804 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192645217 908809847 /nfs/dbraw/zinc/80/98/47/908809847.db2.gz VZBDDXVGGHSAKT-ZDUSSCGKSA-N 0 3 395.334 3.697 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1[O-] ZINC000267407701 909487304 /nfs/dbraw/zinc/48/73/04/909487304.db2.gz SGQIEXBCVKSNMU-UHFFFAOYSA-N 0 3 392.927 3.719 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000267407701 909487311 /nfs/dbraw/zinc/48/73/11/909487311.db2.gz SGQIEXBCVKSNMU-UHFFFAOYSA-N 0 3 392.927 3.719 20 10 GHCDHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000774472160 911778744 /nfs/dbraw/zinc/77/87/44/911778744.db2.gz LZXSNRHWDDIEJK-WBVHZDCISA-N 0 3 380.916 3.513 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000774486755 911792074 /nfs/dbraw/zinc/79/20/74/911792074.db2.gz YKHLVDKLRCHFEN-JKSUJKDBSA-N 0 3 383.492 3.592 20 10 GHCDHN C[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001182615571 911927528 /nfs/dbraw/zinc/92/75/28/911927528.db2.gz GAUFPEOKOXZPSZ-QRVBRYPASA-N 0 3 384.520 3.559 20 10 GHCDHN Cc1ccc(C[C@@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)cc1 ZINC001190683743 917512405 /nfs/dbraw/zinc/51/24/05/917512405.db2.gz ZPQSDWCCCDPTFX-QFIPXVFZSA-N 0 3 379.548 3.632 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC(C)C)c1ccccc1C)cc2=O ZINC000775409384 917552151 /nfs/dbraw/zinc/55/21/51/917552151.db2.gz ZNTLGCLOIZSNMD-IBGZPJMESA-N 0 3 396.491 3.797 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c([O-])c1 ZINC000796470406 917599361 /nfs/dbraw/zinc/59/93/61/917599361.db2.gz LSDJZSPVGRGNAY-SFHVURJKSA-N 0 3 380.282 3.551 20 10 GHCDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001191214019 917828598 /nfs/dbraw/zinc/82/85/98/917828598.db2.gz LNHPLJKTUHRUMH-GOTSBHOMSA-N 0 3 379.548 3.945 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000801527910 921100249 /nfs/dbraw/zinc/10/02/49/921100249.db2.gz DSMQKMDUXSIQKB-SNVBAGLBSA-N 0 3 381.226 3.922 20 10 GHCDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCCC2)cc1 ZINC000368562541 922747061 /nfs/dbraw/zinc/74/70/61/922747061.db2.gz GOBBHURCMSTLOE-GCJKJVERSA-N 0 3 382.552 3.984 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000903359996 922958131 /nfs/dbraw/zinc/95/81/31/922958131.db2.gz JXUNYDPAGRPFTG-ACJLOTCBSA-N 0 3 394.313 3.553 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2c(C)nc3ccccn32)c1[O-] ZINC000903421218 923007116 /nfs/dbraw/zinc/00/71/16/923007116.db2.gz FSZQWEWJQKLGDN-NSHDSACASA-N 0 3 390.281 3.970 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(CCc4ccccc4)CC3)cc2)CC1 ZINC000827324068 925258388 /nfs/dbraw/zinc/25/83/88/925258388.db2.gz YDAHVZPPEBFLLL-UHFFFAOYSA-N 0 3 393.575 3.662 20 10 GHCDHN CCOc1cccc(CN[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1O ZINC000725850934 926468708 /nfs/dbraw/zinc/46/87/08/926468708.db2.gz HHHBROAPNPATDW-INIZCTEOSA-N 0 3 383.492 3.508 20 10 GHCDHN Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc(F)ccc3[O-])nc12 ZINC000757954964 929869521 /nfs/dbraw/zinc/86/95/21/929869521.db2.gz AREQDNPHBIGWOJ-UHFFFAOYSA-N 0 3 378.245 3.582 20 10 GHCDHN Cc1cc(CCNC(=O)N[C@H](C)C2=CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000781356577 930811488 /nfs/dbraw/zinc/81/14/88/930811488.db2.gz QQZJOGTUHQVROC-GOSISDBHSA-N 0 3 380.536 3.586 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(C(F)(F)F)c3)C1)[C@@H](O)CO2 ZINC000784027904 931761044 /nfs/dbraw/zinc/76/10/44/931761044.db2.gz VTDZPBORECBZQX-ACJLOTCBSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(C(F)(F)F)c3)C1)[C@@H](O)CO2 ZINC000784027904 931761048 /nfs/dbraw/zinc/76/10/48/931761048.db2.gz VTDZPBORECBZQX-ACJLOTCBSA-N 0 3 379.378 3.826 20 10 GHCDHN COC(=O)c1csc([C@H](C)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000796696207 932033257 /nfs/dbraw/zinc/03/32/57/932033257.db2.gz SAONDDALFVGVTQ-AWEZNQCLSA-N 0 3 376.547 3.939 20 10 GHCDHN CC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000798934864 932823305 /nfs/dbraw/zinc/82/33/05/932823305.db2.gz GWARTJRRJGPSRS-KRWDZBQOSA-N 0 3 396.940 3.763 20 10 GHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cnc1Br ZINC000930212146 933895686 /nfs/dbraw/zinc/89/56/86/933895686.db2.gz YLSUBFFFIBRZCP-OAHLLOKOSA-N 0 3 390.325 3.840 20 10 GHCDHN Cc1cc(CN2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137858163 935828925 /nfs/dbraw/zinc/82/89/25/935828925.db2.gz YSFYGGYXBRNYKM-KSEOMHKRSA-N 0 3 392.503 3.618 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)N(C)C)cc1 ZINC001227780601 1032601928 /nfs/dbraw/zinc/60/19/28/1032601928.db2.gz ZBTYOHABZVEUOJ-YADHBBJMSA-N 0 3 398.526 3.871 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000835071722 1021862474 /nfs/dbraw/zinc/86/24/74/1021862474.db2.gz ZYOMZIYXCDWCCG-ICSRJNTNSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)(C)OC(=O)CC1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140664987 1022210210 /nfs/dbraw/zinc/21/02/10/1022210210.db2.gz ZKEGMELUOUCUOJ-UHFFFAOYSA-N 0 3 392.515 3.606 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1csc3ccccc31)cc2=O ZINC000754738011 1022870831 /nfs/dbraw/zinc/87/08/31/1022870831.db2.gz ZANHNAKXMZTMIY-GFCCVEGCSA-N 0 3 396.472 3.677 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949402 1022969439 /nfs/dbraw/zinc/96/94/39/1022969439.db2.gz AYRKGHRSHLGLFY-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949402 1022969444 /nfs/dbraw/zinc/96/94/44/1022969444.db2.gz AYRKGHRSHLGLFY-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950096 1022971599 /nfs/dbraw/zinc/97/15/99/1022971599.db2.gz MUFXZJURKAIEJN-RPWUZVMVSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950096 1022971602 /nfs/dbraw/zinc/97/16/02/1022971602.db2.gz MUFXZJURKAIEJN-RPWUZVMVSA-N 0 3 396.531 3.992 20 10 GHCDHN CC(C)N1CCC2(CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)C1=O ZINC001141078960 1023444750 /nfs/dbraw/zinc/44/47/50/1023444750.db2.gz OUAKWZOFSDERBZ-UHFFFAOYSA-N 0 3 381.564 3.608 20 10 GHCDHN COc1cc2nc(NCc3ccc(N4CCN(C)CC4)cc3)ccc2c(OC)c1 ZINC001156659339 1033163254 /nfs/dbraw/zinc/16/32/54/1033163254.db2.gz KJYSEKZXRLAQHN-UHFFFAOYSA-N 0 3 392.503 3.616 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756835580 1023829993 /nfs/dbraw/zinc/82/99/93/1023829993.db2.gz ORLJTESRZVPXTP-BVZALQNUSA-N 0 3 384.495 3.696 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c(OC)c1 ZINC001138387891 1024762959 /nfs/dbraw/zinc/76/29/59/1024762959.db2.gz PDIVLVWLPAZVGR-NRFANRHFSA-N 0 3 399.579 3.812 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(OC)c1 ZINC001138388774 1024763865 /nfs/dbraw/zinc/76/38/65/1024763865.db2.gz DAYVWUSDEXWETI-JTHBVZDNSA-N 0 3 388.552 3.701 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001138390115 1024766037 /nfs/dbraw/zinc/76/60/37/1024766037.db2.gz XOYVKVBSZHCDOF-HSZRJFAPSA-N 0 3 387.568 3.764 20 10 GHCDHN Oc1cccnc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001138396455 1024774185 /nfs/dbraw/zinc/77/41/85/1024774185.db2.gz ANFPCUQYOHGPAN-UHFFFAOYSA-N 0 3 386.455 3.918 20 10 GHCDHN Cc1cc(CN2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)ccc1N(C)C ZINC001139670902 1026524928 /nfs/dbraw/zinc/52/49/28/1026524928.db2.gz DCFWXYUVTKUARC-ZLNRFVROSA-N 0 3 383.536 3.518 20 10 GHCDHN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(F)ccc3[O-])O2)cs1 ZINC001140054620 1026833393 /nfs/dbraw/zinc/83/33/93/1026833393.db2.gz TZBFYTZKBZPCSU-QWFCFKBJSA-N 0 3 392.496 3.635 20 10 GHCDHN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc(F)ccc3[O-])O2)cs1 ZINC001140054620 1026833401 /nfs/dbraw/zinc/83/34/01/1026833401.db2.gz TZBFYTZKBZPCSU-QWFCFKBJSA-N 0 3 392.496 3.635 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001140055805 1026835197 /nfs/dbraw/zinc/83/51/97/1026835197.db2.gz WDKSQVORGCCTAK-FPOVZHCZSA-N 0 3 390.430 3.516 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001140055805 1026835203 /nfs/dbraw/zinc/83/52/03/1026835203.db2.gz WDKSQVORGCCTAK-FPOVZHCZSA-N 0 3 390.430 3.516 20 10 GHCDHN COCCC[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140058811 1026838389 /nfs/dbraw/zinc/83/83/89/1026838389.db2.gz MJKWLIGDNYFICB-UHFFFAOYSA-N 0 3 396.503 3.769 20 10 GHCDHN COCCC[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140058811 1026838392 /nfs/dbraw/zinc/83/83/92/1026838392.db2.gz MJKWLIGDNYFICB-UHFFFAOYSA-N 0 3 396.503 3.769 20 10 GHCDHN Cc1ccc(C)c(CN2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC001140179101 1026952186 /nfs/dbraw/zinc/95/21/86/1026952186.db2.gz CBGWLLGUHDJQMA-UHFFFAOYSA-N 0 3 390.524 3.611 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c1O ZINC001140180445 1026953301 /nfs/dbraw/zinc/95/33/01/1026953301.db2.gz WUURIVFWSFDPIY-KJXAQDMKSA-N 0 3 382.504 3.600 20 10 GHCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203601788 1027464604 /nfs/dbraw/zinc/46/46/04/1027464604.db2.gz LCRRCONFQFXEHS-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203601788 1027464617 /nfs/dbraw/zinc/46/46/17/1027464617.db2.gz LCRRCONFQFXEHS-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CC(NC(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001203620610 1027482403 /nfs/dbraw/zinc/48/24/03/1027482403.db2.gz GBQRHDDOIACATG-UHFFFAOYSA-N 0 3 376.497 3.670 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(NC(=O)c3ccccc3OC)CC2)cc1 ZINC001203943764 1027737465 /nfs/dbraw/zinc/73/74/65/1027737465.db2.gz GPUIYSXIVMUCHN-UHFFFAOYSA-N 0 3 395.547 3.936 20 10 GHCDHN COc1ccc2c(c1)[C@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840761664 1027800871 /nfs/dbraw/zinc/80/08/71/1027800871.db2.gz ZQKFXUUXKOXACM-OAQYLSRUSA-N 0 3 388.458 3.977 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2F)N(C)C)cc1 ZINC001214446108 1028739077 /nfs/dbraw/zinc/73/90/77/1028739077.db2.gz KCLRENAKYDVCQJ-SFHVURJKSA-N 0 3 378.879 3.970 20 10 GHCDHN CNCc1cccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1F ZINC001216224731 1029573923 /nfs/dbraw/zinc/57/39/23/1029573923.db2.gz NOGVTGVYIGJHQA-UHFFFAOYSA-N 0 3 375.403 3.646 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842929372 1029694209 /nfs/dbraw/zinc/69/42/09/1029694209.db2.gz PJEGZTPGTDJUOM-UKRRQHHQSA-N 0 3 380.410 3.667 20 10 GHCDHN CC(C)(C)c1cccc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c1O ZINC001143105134 1029842450 /nfs/dbraw/zinc/84/24/50/1029842450.db2.gz KKTSKLGCTMAGJD-SFHVURJKSA-N 0 3 383.536 3.945 20 10 GHCDHN CC(C)(C)OC(=O)NCc1ccc(CNCc2cc(F)ccc2O)c(F)c1 ZINC000404638967 1029939122 /nfs/dbraw/zinc/93/91/22/1029939122.db2.gz IXWBKARYQONJIH-UHFFFAOYSA-N 0 3 378.419 3.985 20 10 GHCDHN CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])c(F)c1 ZINC000404638967 1029939131 /nfs/dbraw/zinc/93/91/31/1029939131.db2.gz IXWBKARYQONJIH-UHFFFAOYSA-N 0 3 378.419 3.985 20 10 GHCDHN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1O[C@H]1CC[C@@H]2NCCO[C@@H]21 ZINC001218116641 1030781358 /nfs/dbraw/zinc/78/13/58/1030781358.db2.gz QKHZLPJHUOPJCJ-SBVZQDOVSA-N 0 3 384.392 3.614 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c1[O-] ZINC001276966589 1030976263 /nfs/dbraw/zinc/97/62/63/1030976263.db2.gz WJTWFFQQIXWEQC-IBGZPJMESA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c1[O-] ZINC001276966589 1030976267 /nfs/dbraw/zinc/97/62/67/1030976267.db2.gz WJTWFFQQIXWEQC-IBGZPJMESA-N 0 3 395.341 3.544 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H]2CCc3ccccc32)N(C)C)cc1 ZINC001229318813 1033413409 /nfs/dbraw/zinc/41/34/09/1033413409.db2.gz CMUVNLJXPSGTJB-CVDCTZTESA-N 0 3 394.563 3.775 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001157433325 1033584233 /nfs/dbraw/zinc/58/42/33/1033584233.db2.gz JHWVKLZJQSEIJP-MBSDFSHPSA-N 0 3 378.516 3.853 20 10 GHCDHN COc1cc(C)c(C[NH2+]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001205861177 1033611267 /nfs/dbraw/zinc/61/12/67/1033611267.db2.gz RBTYALLNIQCBBC-MRXNPFEDSA-N 0 3 378.513 3.979 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cncc(C)c4)C3)C2)cc1 ZINC001207155793 1034133942 /nfs/dbraw/zinc/13/39/42/1034133942.db2.gz CKBYUEFLINHUOZ-HSZRJFAPSA-N 0 3 381.520 3.518 20 10 GHCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001207391558 1034337669 /nfs/dbraw/zinc/33/76/69/1034337669.db2.gz MNQAYLRCWDPOOX-MSOLQXFVSA-N 0 3 393.524 3.856 20 10 GHCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001207391558 1034337685 /nfs/dbraw/zinc/33/76/85/1034337685.db2.gz MNQAYLRCWDPOOX-MSOLQXFVSA-N 0 3 393.524 3.856 20 10 GHCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469645 1034615834 /nfs/dbraw/zinc/61/58/34/1034615834.db2.gz KFGCZJHSGSVLJW-IHPCNDPISA-N 0 3 381.472 3.745 20 10 GHCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469645 1034615840 /nfs/dbraw/zinc/61/58/40/1034615840.db2.gz KFGCZJHSGSVLJW-IHPCNDPISA-N 0 3 381.472 3.745 20 10 GHCDHN Nc1cc(F)c(Cl)nc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160624481 1035018546 /nfs/dbraw/zinc/01/85/46/1035018546.db2.gz OKXUDMVOWMKXAO-IAGOWNOFSA-N 0 3 388.830 3.721 20 10 GHCDHN CCC(=O)C(C)(C)CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001208921608 1035089663 /nfs/dbraw/zinc/08/96/63/1035089663.db2.gz HBLMXWNRRLHYOW-UHFFFAOYSA-N 0 3 381.520 3.788 20 10 GHCDHN CC1(C)OCC(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CO1 ZINC001209201676 1035206828 /nfs/dbraw/zinc/20/68/28/1035206828.db2.gz QDERBLLWIIQEIN-UHFFFAOYSA-N 0 3 396.531 3.787 20 10 GHCDHN CN(C)c1ccc(C[N@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001232841046 1038591961 /nfs/dbraw/zinc/59/19/61/1038591961.db2.gz QRVCTDNHOYQGBA-UHFFFAOYSA-N 0 3 377.529 3.680 20 10 GHCDHN CN(C)c1ccc(C[N@@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001232841046 1038591963 /nfs/dbraw/zinc/59/19/63/1038591963.db2.gz QRVCTDNHOYQGBA-UHFFFAOYSA-N 0 3 377.529 3.680 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001233110589 1038900797 /nfs/dbraw/zinc/90/07/97/1038900797.db2.gz GHQBGIPDFPPCGX-DLBZAZTESA-N 0 3 385.321 3.861 20 10 GHCDHN COc1cc(Cl)cc(CN2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001233288054 1039068257 /nfs/dbraw/zinc/06/82/57/1039068257.db2.gz SZRCRUJLIDJUOL-CJNGLKHVSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)c1[O-] ZINC001233289797 1039071041 /nfs/dbraw/zinc/07/10/41/1039071041.db2.gz PICSYNRRIOKSAH-UHFFFAOYSA-N 0 3 390.842 3.679 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(CC2)C(=O)Nc2c3cccc2F)c1O ZINC001233289797 1039071057 /nfs/dbraw/zinc/07/10/57/1039071057.db2.gz PICSYNRRIOKSAH-UHFFFAOYSA-N 0 3 390.842 3.679 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@@]12CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483344 1039380840 /nfs/dbraw/zinc/38/08/40/1039380840.db2.gz WLJRYIZQKAKFJH-NRFANRHFSA-N 0 3 392.496 3.559 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001233726746 1039570484 /nfs/dbraw/zinc/57/04/84/1039570484.db2.gz GZFUFZFGGMDVLC-YGRLFVJLSA-N 0 3 387.320 3.816 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001233726746 1039570499 /nfs/dbraw/zinc/57/04/99/1039570499.db2.gz GZFUFZFGGMDVLC-YGRLFVJLSA-N 0 3 387.320 3.816 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1c1ccccc1 ZINC001234569298 1040137448 /nfs/dbraw/zinc/13/74/48/1040137448.db2.gz KVIROBOOUGAGGS-RBBKRZOGSA-N 0 3 391.467 3.943 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1c1ccccc1 ZINC001234569298 1040137453 /nfs/dbraw/zinc/13/74/53/1040137453.db2.gz KVIROBOOUGAGGS-RBBKRZOGSA-N 0 3 391.467 3.943 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2F)N(C)C)cc1 ZINC001254602919 1040375294 /nfs/dbraw/zinc/37/52/94/1040375294.db2.gz BKBZSSKMXQNDQI-FKBYEOEOSA-N 0 3 398.526 3.680 20 10 GHCDHN CCN(C)c1ncnc2c1CC[N@H+](Cc1cccc(-c3ccccc3)c1[O-])CC2 ZINC001234987777 1040483757 /nfs/dbraw/zinc/48/37/57/1040483757.db2.gz KCWRDWOKWRAIAN-UHFFFAOYSA-N 0 3 388.515 3.906 20 10 GHCDHN CCN(C)c1ncnc2c1CC[N@@H+](Cc1cccc(-c3ccccc3)c1[O-])CC2 ZINC001234987777 1040483765 /nfs/dbraw/zinc/48/37/65/1040483765.db2.gz KCWRDWOKWRAIAN-UHFFFAOYSA-N 0 3 388.515 3.906 20 10 GHCDHN CCCNC(=O)COC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001235000793 1040494992 /nfs/dbraw/zinc/49/49/92/1040494992.db2.gz QLLXGIPYDZLWMC-UHFFFAOYSA-N 0 3 382.504 3.566 20 10 GHCDHN C[NH+]1CCC(C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)CC1 ZINC001235069397 1040560678 /nfs/dbraw/zinc/56/06/78/1040560678.db2.gz SQYRKKCSLCXABF-UHFFFAOYSA-N 0 3 385.321 3.848 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c1[O-] ZINC001255297173 1040940668 /nfs/dbraw/zinc/94/06/68/1040940668.db2.gz XMUNJYDWYCFGFD-OCCSQVGLSA-N 0 3 383.330 3.762 20 10 GHCDHN Cc1cc([O-])c(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)cc1Br ZINC001236130765 1041560254 /nfs/dbraw/zinc/56/02/54/1041560254.db2.gz VWNSCBUGEGUKIF-KRWDZBQOSA-N 0 3 379.273 3.749 20 10 GHCDHN C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001236154378 1041575261 /nfs/dbraw/zinc/57/52/61/1041575261.db2.gz MDMAYEDBZPVASA-OAHLLOKOSA-N 0 3 386.996 3.618 20 10 GHCDHN CN(Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214112 1041624349 /nfs/dbraw/zinc/62/43/49/1041624349.db2.gz PSQZMGLPRLLRII-CHWSQXEVSA-N 0 3 392.135 3.619 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC=C(c3ccccc3)C2)N(C)C)cc1 ZINC001256237300 1041671378 /nfs/dbraw/zinc/67/13/78/1041671378.db2.gz WLWXWEOXSYAOBI-QHCPKHFHSA-N 0 3 392.547 3.854 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784799 1041890234 /nfs/dbraw/zinc/89/02/34/1041890234.db2.gz APQFIPADKXTATI-GGAORHGYSA-N 0 3 382.504 3.800 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784799 1041890240 /nfs/dbraw/zinc/89/02/40/1041890240.db2.gz APQFIPADKXTATI-GGAORHGYSA-N 0 3 382.504 3.800 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)c([O-])c1 ZINC001236786529 1041892045 /nfs/dbraw/zinc/89/20/45/1041892045.db2.gz GKMIZUGGMPFDDO-DEOSSOPVSA-N 0 3 394.515 3.588 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)c([O-])c1 ZINC001236786529 1041892051 /nfs/dbraw/zinc/89/20/51/1041892051.db2.gz GKMIZUGGMPFDDO-DEOSSOPVSA-N 0 3 394.515 3.588 20 10 GHCDHN COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c([O-])c1Cl ZINC001236800633 1041902911 /nfs/dbraw/zinc/90/29/11/1041902911.db2.gz BQHJVWKNPIIQJJ-CQSZACIVSA-N 0 3 378.875 3.900 20 10 GHCDHN COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c([O-])c1Cl ZINC001236800633 1041902915 /nfs/dbraw/zinc/90/29/15/1041902915.db2.gz BQHJVWKNPIIQJJ-CQSZACIVSA-N 0 3 378.875 3.900 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c([O-])c1 ZINC001236811408 1041911331 /nfs/dbraw/zinc/91/13/31/1041911331.db2.gz NQIFMCQRPXSRJC-UHFFFAOYSA-N 0 3 375.472 3.767 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c([O-])c1 ZINC001236811408 1041911335 /nfs/dbraw/zinc/91/13/35/1041911335.db2.gz NQIFMCQRPXSRJC-UHFFFAOYSA-N 0 3 375.472 3.767 20 10 GHCDHN CCOC(=O)CCC1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236927371 1041961275 /nfs/dbraw/zinc/96/12/75/1041961275.db2.gz PZLNXDOLQDMKBW-UHFFFAOYSA-N 0 3 394.943 3.732 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001237040132 1042000805 /nfs/dbraw/zinc/00/08/05/1042000805.db2.gz DWDCNDCXDFIFOP-HSZRJFAPSA-N 0 3 380.488 3.728 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001237040132 1042000810 /nfs/dbraw/zinc/00/08/10/1042000810.db2.gz DWDCNDCXDFIFOP-HSZRJFAPSA-N 0 3 380.488 3.728 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)c([O-])c1 ZINC001237041322 1042001835 /nfs/dbraw/zinc/00/18/35/1042001835.db2.gz OSRARWDKNSALSG-OAQYLSRUSA-N 0 3 394.515 3.771 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044016 1042004574 /nfs/dbraw/zinc/00/45/74/1042004574.db2.gz VYGVGYCKQDMYQJ-FYYLOGMGSA-N 0 3 398.503 3.636 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044016 1042004581 /nfs/dbraw/zinc/00/45/81/1042004581.db2.gz VYGVGYCKQDMYQJ-FYYLOGMGSA-N 0 3 398.503 3.636 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237047472 1042006408 /nfs/dbraw/zinc/00/64/08/1042006408.db2.gz ADFQEUDYMIFAMB-QHCPKHFHSA-N 0 3 379.504 3.535 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237047472 1042006412 /nfs/dbraw/zinc/00/64/12/1042006412.db2.gz ADFQEUDYMIFAMB-QHCPKHFHSA-N 0 3 379.504 3.535 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001237049771 1042008906 /nfs/dbraw/zinc/00/89/06/1042008906.db2.gz JDYLJFAGAIBWCE-MAUKXSAKSA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001237049771 1042008912 /nfs/dbraw/zinc/00/89/12/1042008912.db2.gz JDYLJFAGAIBWCE-MAUKXSAKSA-N 0 3 376.497 3.622 20 10 GHCDHN Cc1cccc(N2CCC[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC2)n1 ZINC001237058911 1042014091 /nfs/dbraw/zinc/01/40/91/1042014091.db2.gz LQWJKLZPBFVMLO-UHFFFAOYSA-N 0 3 395.425 3.749 20 10 GHCDHN Cc1cccc(N2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC2)n1 ZINC001237058911 1042014097 /nfs/dbraw/zinc/01/40/97/1042014097.db2.gz LQWJKLZPBFVMLO-UHFFFAOYSA-N 0 3 395.425 3.749 20 10 GHCDHN COC(=O)c1ccc(C2C[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)cc1 ZINC001237062490 1042016299 /nfs/dbraw/zinc/01/62/99/1042016299.db2.gz POTUBMQEPMNQSU-UHFFFAOYSA-N 0 3 395.377 3.719 20 10 GHCDHN O=C(NC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1)c1ccc(F)cc1 ZINC001237127967 1042055239 /nfs/dbraw/zinc/05/52/39/1042055239.db2.gz KTGBNKNQBYSLBS-UHFFFAOYSA-N 0 3 380.822 3.718 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237136885 1042058350 /nfs/dbraw/zinc/05/83/50/1042058350.db2.gz LISDKQZCLFCIBD-AEFFLSMTSA-N 0 3 391.437 3.760 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237136885 1042058357 /nfs/dbraw/zinc/05/83/57/1042058357.db2.gz LISDKQZCLFCIBD-AEFFLSMTSA-N 0 3 391.437 3.760 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001237487549 1042230549 /nfs/dbraw/zinc/23/05/49/1042230549.db2.gz APNVDZFRZNPXCR-HSZRJFAPSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001237487549 1042230553 /nfs/dbraw/zinc/23/05/53/1042230553.db2.gz APNVDZFRZNPXCR-HSZRJFAPSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2c(C)cccc2[O-])CC3)cs1 ZINC001237489017 1042232505 /nfs/dbraw/zinc/23/25/05/1042232505.db2.gz CCUPGZZOMKTPJA-GOSISDBHSA-N 0 3 388.533 3.806 20 10 GHCDHN Cc1cccc(O)c1CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001237493148 1042233940 /nfs/dbraw/zinc/23/39/40/1042233940.db2.gz VTAAQIBJZODTBA-UHFFFAOYSA-N 0 3 380.410 3.917 20 10 GHCDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@H]2C1 ZINC001237642478 1042300600 /nfs/dbraw/zinc/30/06/00/1042300600.db2.gz CFJAGLAXTUSJGU-LDLYASANSA-N 0 3 394.490 3.935 20 10 GHCDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@H]2C1 ZINC001237642478 1042300606 /nfs/dbraw/zinc/30/06/06/1042300606.db2.gz CFJAGLAXTUSJGU-LDLYASANSA-N 0 3 394.490 3.935 20 10 GHCDHN CC1(N2CCOCC2)CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237648198 1042303172 /nfs/dbraw/zinc/30/31/72/1042303172.db2.gz YIOBNZBQCKEOCF-UHFFFAOYSA-N 0 3 384.495 3.885 20 10 GHCDHN Cc1cc(O)c(CN2CCN(C)[C@@H](c3ccccc3)C2)cc1Br ZINC001237679567 1042320562 /nfs/dbraw/zinc/32/05/62/1042320562.db2.gz RHYDEQWPQXYRRE-GOSISDBHSA-N 0 3 375.310 3.952 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC001237680752 1042321747 /nfs/dbraw/zinc/32/17/47/1042321747.db2.gz UTTWNJCGFPUEIL-UHFFFAOYSA-N 0 3 380.897 3.588 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC001237680752 1042321750 /nfs/dbraw/zinc/32/17/50/1042321750.db2.gz UTTWNJCGFPUEIL-UHFFFAOYSA-N 0 3 380.897 3.588 20 10 GHCDHN Cc1cnc2n1CCC21CC[NH+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237682965 1042324101 /nfs/dbraw/zinc/32/41/01/1042324101.db2.gz ICCWTGZFMILKKN-UHFFFAOYSA-N 0 3 390.325 3.906 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1[O-] ZINC001237686837 1042327700 /nfs/dbraw/zinc/32/77/00/1042327700.db2.gz TXNUNRHCZXHFDR-JOCHJYFZSA-N 0 3 399.922 3.906 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1[O-] ZINC001237686837 1042327704 /nfs/dbraw/zinc/32/77/04/1042327704.db2.gz TXNUNRHCZXHFDR-JOCHJYFZSA-N 0 3 399.922 3.906 20 10 GHCDHN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427995 /nfs/dbraw/zinc/42/79/95/1042427995.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 0 3 375.875 3.534 20 10 GHCDHN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427997 /nfs/dbraw/zinc/42/79/97/1042427997.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 0 3 375.875 3.534 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1[O-] ZINC001238062612 1042479814 /nfs/dbraw/zinc/47/98/14/1042479814.db2.gz VEQZKHSNFKJWJW-FQEVSTJZSA-N 0 3 386.467 3.575 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@H](O)CO2 ZINC001262052371 1046169458 /nfs/dbraw/zinc/16/94/58/1046169458.db2.gz SKLMYMJEAKIOAW-OPAMFIHVSA-N 0 3 391.471 3.588 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@H](O)CO2 ZINC001262052371 1046169467 /nfs/dbraw/zinc/16/94/67/1046169467.db2.gz SKLMYMJEAKIOAW-OPAMFIHVSA-N 0 3 391.471 3.588 20 10 GHCDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC001279665806 1047905783 /nfs/dbraw/zinc/90/57/83/1047905783.db2.gz YBKGWGLECWSXPM-IRXDYDNUSA-N 0 3 394.302 3.648 20 10 GHCDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC001279665806 1047905789 /nfs/dbraw/zinc/90/57/89/1047905789.db2.gz YBKGWGLECWSXPM-IRXDYDNUSA-N 0 3 394.302 3.648 20 10 GHCDHN CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463282661 1070961387 /nfs/dbraw/zinc/96/13/87/1070961387.db2.gz OZZUXTNPFDVEQM-LEWJYISDSA-N 0 3 375.557 3.599 20 10 GHCDHN CC[C@@H](OC1CCCCC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463282667 1070961680 /nfs/dbraw/zinc/96/16/80/1070961680.db2.gz OZZUXTNPFDVEQM-NHCUHLMSSA-N 0 3 375.557 3.599 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C(F)(F)c2cccc(Cl)c2)N(C)C)cc1 ZINC001463286428 1070963961 /nfs/dbraw/zinc/96/39/61/1070963961.db2.gz VQFBWUOJYSBJFE-SFHVURJKSA-N 0 3 395.881 3.917 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000731848430 1048919491 /nfs/dbraw/zinc/91/94/91/1048919491.db2.gz XZKDZOVIIYJGOA-UHFFFAOYSA-N 0 3 383.448 3.992 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848430 1048919495 /nfs/dbraw/zinc/91/94/95/1048919495.db2.gz XZKDZOVIIYJGOA-UHFFFAOYSA-N 0 3 383.448 3.992 20 10 GHCDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848430 1048919500 /nfs/dbraw/zinc/91/95/00/1048919500.db2.gz XZKDZOVIIYJGOA-UHFFFAOYSA-N 0 3 383.448 3.992 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307695710 1049513632 /nfs/dbraw/zinc/51/36/32/1049513632.db2.gz OKXHWPUMZZXCPJ-CHWSQXEVSA-N 0 3 391.418 3.752 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCc3ccccc32)N(C)C)cc1 ZINC001289602278 1049557147 /nfs/dbraw/zinc/55/71/47/1049557147.db2.gz NFGZCBGPFSNHSH-WMZHIEFXSA-N 0 3 379.548 3.982 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1[O-] ZINC001308634518 1050042284 /nfs/dbraw/zinc/04/22/84/1050042284.db2.gz HHDAQVGKPQKDRH-UHFFFAOYSA-N 0 3 391.265 3.710 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](c2ccccc2)C2CC2)N(C)C)cc1 ZINC001311443884 1052153317 /nfs/dbraw/zinc/15/33/17/1052153317.db2.gz GVDYWYTWLJJQOA-FGZHOGPDSA-N 0 3 380.536 3.806 20 10 GHCDHN COCCn1c(C)c(C)c2cc(-c3nc([C@H]4CN5CCC4CC5)no3)ccc21 ZINC001320206605 1055705495 /nfs/dbraw/zinc/70/54/95/1055705495.db2.gz CDQOMNQWNVCKQZ-IBGZPJMESA-N 0 3 380.492 3.764 20 10 GHCDHN O=C(Cc1cccc(F)c1)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320494492 1055840367 /nfs/dbraw/zinc/84/03/67/1055840367.db2.gz RMLIGOQQAPWEJI-UHFFFAOYSA-N 0 3 395.522 3.703 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cn3ccccc3n2)c1[O-] ZINC000848517476 1057144260 /nfs/dbraw/zinc/14/42/60/1057144260.db2.gz DNLOETYZRAABRQ-LBPRGKRZSA-N 0 3 390.281 3.704 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1[O-] ZINC000848524182 1057147557 /nfs/dbraw/zinc/14/75/57/1057147557.db2.gz CMHSGOLDOLWERF-DTWKUNHWSA-N 0 3 386.208 3.781 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1[O-] ZINC000848531406 1057152748 /nfs/dbraw/zinc/15/27/48/1057152748.db2.gz QWJMMGGDGXGOJA-BLLLJJGKSA-N 0 3 380.282 3.856 20 10 GHCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC001442473544 1058966470 /nfs/dbraw/zinc/96/64/70/1058966470.db2.gz MQFVMEBLDFRGEM-SFHVURJKSA-N 0 3 397.538 3.851 20 10 GHCDHN COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1OC(C)C ZINC001456927451 1062920899 /nfs/dbraw/zinc/92/08/99/1062920899.db2.gz BTHDPQGXPZKEHC-FQEVSTJZSA-N 0 3 399.535 3.581 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2oc(C3CC3)nc2C(F)F)N(C)C)cc1 ZINC001349957442 1063952159 /nfs/dbraw/zinc/95/21/59/1063952159.db2.gz QJNJBHAJFOMWHP-OAHLLOKOSA-N 0 3 392.450 3.588 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCc3c(F)cccc32)N(C)C)cc1 ZINC001470360481 1068700258 /nfs/dbraw/zinc/70/02/58/1068700258.db2.gz AGUSASVWFJAPBO-FGZHOGPDSA-N 0 3 398.526 3.871 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@]2(C)Cc2ccc(F)cc2)cc1 ZINC001460275283 1068902206 /nfs/dbraw/zinc/90/22/06/1068902206.db2.gz ZRKKULDSLHITSR-HSZRJFAPSA-N 0 3 383.511 3.605 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](c2ccccn2)C2CCC2)N(C)C)cc1 ZINC001470856671 1072775654 /nfs/dbraw/zinc/77/56/54/1072775654.db2.gz VKKLJWODJJBQRI-YADHBBJMSA-N 0 3 395.551 3.591 20 10 GHCDHN Cc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(C)n1 ZINC001473938345 1074211421 /nfs/dbraw/zinc/21/14/21/1074211421.db2.gz GMCBXSUVMSHDPR-UHFFFAOYSA-N 0 3 379.426 3.844 20 10 GHCDHN CCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CCN1Cc1ccccc1 ZINC001474389453 1074379810 /nfs/dbraw/zinc/37/98/10/1074379810.db2.gz BYXSDWXJBZZQGQ-HXUWFJFHSA-N 0 3 384.520 3.896 20 10 GHCDHN COc1cc(C)c(C[NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001474700073 1074523057 /nfs/dbraw/zinc/52/30/57/1074523057.db2.gz PPXHCYKIACKWNL-DENIHFKCSA-N 0 3 390.524 3.979 20 10 GHCDHN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1C ZINC001659388750 1126263301 /nfs/dbraw/zinc/26/33/01/1126263301.db2.gz GAKMHSSRMWKHMX-GOSISDBHSA-N 0 3 378.310 3.773 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000472289436 834464747 /nfs/dbraw/zinc/46/47/47/834464747.db2.gz BEQMXWMMIDXOIZ-UHFFFAOYSA-N 0 3 396.510 3.899 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccc(NC(C)=O)c3)cc2F)CC1 ZINC000155255477 836660612 /nfs/dbraw/zinc/66/06/12/836660612.db2.gz TZFNXGIYDOKXRC-QGZVFWFLSA-N 0 3 398.526 3.777 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccccc1[O-] ZINC000155507046 838360353 /nfs/dbraw/zinc/36/03/53/838360353.db2.gz ZFJUWJRJFQOUAZ-FQEVSTJZSA-N 0 3 382.504 3.675 20 10 GHCDHN Cc1occc1C(=O)NC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000066795761 839887405 /nfs/dbraw/zinc/88/74/05/839887405.db2.gz PGKHWSIKRLVTTH-UHFFFAOYSA-N 0 3 386.492 3.691 20 10 GHCDHN CN1CCN(c2ccc(CNc3ccnc(NC(=O)OC(C)(C)C)c3)cc2)CC1 ZINC001167434072 840166464 /nfs/dbraw/zinc/16/64/64/840166464.db2.gz AILIIDIZTGCJAR-UHFFFAOYSA-N 0 3 397.523 3.793 20 10 GHCDHN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000255377802 842475475 /nfs/dbraw/zinc/47/54/75/842475475.db2.gz YZCLKMYOUSKUSU-FQEVSTJZSA-N 0 3 391.475 3.737 20 10 GHCDHN CCOc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000168855359 842734353 /nfs/dbraw/zinc/73/43/53/842734353.db2.gz RJLNJSQVICSIDF-INIZCTEOSA-N 0 3 388.483 3.920 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000165482118 843520774 /nfs/dbraw/zinc/52/07/74/843520774.db2.gz OZIPHJLQMFTIOC-CABCVRRESA-N 0 3 386.471 3.565 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc2c[nH]nc2c1 ZINC000237829985 843980253 /nfs/dbraw/zinc/98/02/53/843980253.db2.gz FNSJFDFNRNDESM-UHFFFAOYSA-N 0 3 390.409 3.708 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000472109800 845934533 /nfs/dbraw/zinc/93/45/33/845934533.db2.gz DPBCBIVTBFKQET-UGKGYDQZSA-N 0 3 376.504 3.731 20 10 GHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280289703 846353095 /nfs/dbraw/zinc/35/30/95/846353095.db2.gz ZBVCNPQNDJYVCC-HNAYVOBHSA-N 0 3 376.522 3.753 20 10 GHCDHN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000272130092 846997813 /nfs/dbraw/zinc/99/78/13/846997813.db2.gz RORGICHMPXXQLR-BEFAXECRSA-N 0 3 396.457 3.511 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000127916371 847649913 /nfs/dbraw/zinc/64/99/13/847649913.db2.gz QLXFQOKLXJBVIE-HSZRJFAPSA-N 0 3 390.531 3.699 20 10 GHCDHN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000732052523 862061314 /nfs/dbraw/zinc/06/13/14/862061314.db2.gz MYYIPOXMHQBFPE-LJQANCHMSA-N 0 3 379.548 3.712 20 10 GHCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCN(C2CC2)C1 ZINC000732188124 862114567 /nfs/dbraw/zinc/11/45/67/862114567.db2.gz GLLCTYNYSXPVMD-INIZCTEOSA-N 0 3 375.310 3.976 20 10 GHCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCN(C2CC2)C1 ZINC000732188124 862114571 /nfs/dbraw/zinc/11/45/71/862114571.db2.gz GLLCTYNYSXPVMD-INIZCTEOSA-N 0 3 375.310 3.976 20 10 GHCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc(C)cc(OC)c1O ZINC000164317233 853907994 /nfs/dbraw/zinc/90/79/94/853907994.db2.gz OPZWNOIXQDENQZ-UHFFFAOYSA-N 0 3 379.403 3.553 20 10 GHCDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)c2ccccc2O1 ZINC000760818766 855886270 /nfs/dbraw/zinc/88/62/70/855886270.db2.gz RGQSRJUQTKERML-NKSUMMKUSA-N 0 3 385.533 3.810 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1[O-] ZINC000761197755 859062410 /nfs/dbraw/zinc/06/24/10/859062410.db2.gz CUCVGTJUNYTRIN-UHFFFAOYSA-N 0 3 384.259 3.811 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214439 859305224 /nfs/dbraw/zinc/30/52/24/859305224.db2.gz BOGPOMVNBKHXEM-CHWSQXEVSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214439 859305231 /nfs/dbraw/zinc/30/52/31/859305231.db2.gz BOGPOMVNBKHXEM-CHWSQXEVSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1ccc(CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c(O)c1OC ZINC000895660893 859768277 /nfs/dbraw/zinc/76/82/77/859768277.db2.gz ZSGLAMQNGMUVLM-HNNXBMFYSA-N 0 3 386.275 3.930 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)s1 ZINC000765244828 859862662 /nfs/dbraw/zinc/86/26/62/859862662.db2.gz OCGXGUIMCXWBNX-UKRRQHHQSA-N 0 3 377.941 3.954 20 10 GHCDHN COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765260364 859870578 /nfs/dbraw/zinc/87/05/78/859870578.db2.gz FYCXPFCOOJJDFC-FOIQADDNSA-N 0 3 390.911 3.569 20 10 GHCDHN COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765260372 859870763 /nfs/dbraw/zinc/87/07/63/859870763.db2.gz FYCXPFCOOJJDFC-YWZLYKJASA-N 0 3 390.911 3.569 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000727171101 859982875 /nfs/dbraw/zinc/98/28/75/859982875.db2.gz RBAZLIOKAMYORM-UHFFFAOYSA-N 0 3 395.547 3.975 20 10 GHCDHN COc1ccc(CN[C@@H]2CC3(CCOCC3)Oc3ccccc32)c(O)c1OC ZINC000896034146 860275933 /nfs/dbraw/zinc/27/59/33/860275933.db2.gz PZPOITBYPPVGBT-QGZVFWFLSA-N 0 3 385.460 3.572 20 10 GHCDHN CCCN(CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1ccccc1O ZINC000727830686 860283195 /nfs/dbraw/zinc/28/31/95/860283195.db2.gz GYUMGUOAYQQDEO-HSZRJFAPSA-N 0 3 382.504 3.880 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Br)cc1 ZINC000727831324 860284376 /nfs/dbraw/zinc/28/43/76/860284376.db2.gz VZMUPGBIIPTBFH-QGZVFWFLSA-N 0 3 394.309 3.807 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Br)cc1 ZINC000727831324 860284389 /nfs/dbraw/zinc/28/43/89/860284389.db2.gz VZMUPGBIIPTBFH-QGZVFWFLSA-N 0 3 394.309 3.807 20 10 GHCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000444049344 863208456 /nfs/dbraw/zinc/20/84/56/863208456.db2.gz LUEQRFIPIOZDPG-UHFFFAOYSA-N 0 3 387.487 3.923 20 10 GHCDHN Cc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000184189380 864169949 /nfs/dbraw/zinc/16/99/49/864169949.db2.gz RUSJRELYGDBDEG-UHFFFAOYSA-N 0 3 396.579 3.548 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000734468060 864227860 /nfs/dbraw/zinc/22/78/60/864227860.db2.gz HORSDWVBAQUINA-HXUWFJFHSA-N 0 3 383.511 3.729 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000734652806 864370341 /nfs/dbraw/zinc/37/03/41/864370341.db2.gz SHUVPBQSKSLFSR-QFIPXVFZSA-N 0 3 380.536 3.697 20 10 GHCDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000734687907 864384495 /nfs/dbraw/zinc/38/44/95/864384495.db2.gz XEJNNOKAWJSBJC-UHFFFAOYSA-N 0 3 382.552 3.643 20 10 GHCDHN COCc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000174278083 865699068 /nfs/dbraw/zinc/69/90/68/865699068.db2.gz RFCQYVLWENOXPN-UHFFFAOYSA-N 0 3 394.437 3.978 20 10 GHCDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000183094068 866220131 /nfs/dbraw/zinc/22/01/31/866220131.db2.gz RARZJIKWCPRIGQ-GOTSBHOMSA-N 0 3 397.515 3.723 20 10 GHCDHN COc1ccc(CNCc2ccc(OC)cc2OCc2cccnc2)c(O)c1 ZINC000793387312 882162462 /nfs/dbraw/zinc/16/24/62/882162462.db2.gz CVUDYJFDSIULND-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN COc1ccc(C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)c([O-])c1 ZINC000793387312 882162472 /nfs/dbraw/zinc/16/24/72/882162472.db2.gz CVUDYJFDSIULND-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN Cc1ccc(N2CCC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000743474965 868223840 /nfs/dbraw/zinc/22/38/40/868223840.db2.gz WSBCXCWPXGYYFY-AUSIDOKSSA-N 0 3 393.531 3.678 20 10 GHCDHN COc1ncc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000793529765 882279635 /nfs/dbraw/zinc/27/96/35/882279635.db2.gz UYPSFAZYKKVOPU-HUUCEWRRSA-N 0 3 375.900 3.992 20 10 GHCDHN NC(=O)[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])Cc1ccc(F)cc1 ZINC000776937842 882296279 /nfs/dbraw/zinc/29/62/79/882296279.db2.gz XPCFABYRTGZYLP-HXUWFJFHSA-N 0 3 378.447 3.632 20 10 GHCDHN NC(=O)[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])Cc1ccc(F)cc1 ZINC000776937840 882296746 /nfs/dbraw/zinc/29/67/46/882296746.db2.gz XPCFABYRTGZYLP-FQEVSTJZSA-N 0 3 378.447 3.632 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c([O-])c1 ZINC000793571607 882323676 /nfs/dbraw/zinc/32/36/76/882323676.db2.gz WIODMACVHGXSKZ-CMJOXMDJSA-N 0 3 393.487 3.776 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c([O-])c1 ZINC000793571608 882323864 /nfs/dbraw/zinc/32/38/64/882323864.db2.gz WIODMACVHGXSKZ-IQMFZBJNSA-N 0 3 393.487 3.776 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1cccc3ccccc31)cc2=O ZINC000181657806 871347642 /nfs/dbraw/zinc/34/76/42/871347642.db2.gz ZVDKDHAJPXVPHG-CQSZACIVSA-N 0 3 390.443 3.616 20 10 GHCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3cccc(Br)c3)CCC1)[C@@H](O)CO2 ZINC000768445212 873308596 /nfs/dbraw/zinc/30/85/96/873308596.db2.gz QVEXDAJKNXVGDG-KRWDZBQOSA-N 0 3 390.277 3.750 20 10 GHCDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000768528199 873360869 /nfs/dbraw/zinc/36/08/69/873360869.db2.gz KYJOKUDVZMNEOT-LJQANCHMSA-N 0 3 383.492 3.967 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000769312387 873959458 /nfs/dbraw/zinc/95/94/58/873959458.db2.gz LWOGGYMXRDJVCM-HNNXBMFYSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1F ZINC000153156106 882861185 /nfs/dbraw/zinc/86/11/85/882861185.db2.gz ALNBIPDXYUSIGQ-AWEZNQCLSA-N 0 3 376.447 3.785 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000785602478 876126232 /nfs/dbraw/zinc/12/62/32/876126232.db2.gz QKZJURSICWNFGI-CYBMUJFWSA-N 0 3 384.471 3.765 20 10 GHCDHN COc1cc(CNCc2cccc(C(=O)NC3CC3)c2)c(O)c(C(C)(C)C)c1 ZINC000850091727 876656833 /nfs/dbraw/zinc/65/68/33/876656833.db2.gz DJYMDDWQTPCXOT-UHFFFAOYSA-N 0 3 382.504 3.880 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3cccc(OC)c3OC(F)F)C2)cc1 ZINC000850346001 876837398 /nfs/dbraw/zinc/83/73/98/876837398.db2.gz PFLABSVYEAUTLC-HNNXBMFYSA-N 0 3 378.419 3.674 20 10 GHCDHN CN(C)c1ccc([C@H](CN[C@@H]2CCCn3nccc32)NC(=O)OC(C)(C)C)cc1 ZINC000850454457 876937323 /nfs/dbraw/zinc/93/73/23/876937323.db2.gz JRFBVACPCXNQNV-MOPGFXCFSA-N 0 3 399.539 3.640 20 10 GHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cc(Br)ncc3F)C2)cc1 ZINC000850489659 876967362 /nfs/dbraw/zinc/96/73/62/876967362.db2.gz WIYLIRDYRGXWHT-CHWSQXEVSA-N 0 3 394.288 3.921 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1csc(Cl)c1 ZINC000786897324 877014979 /nfs/dbraw/zinc/01/49/79/877014979.db2.gz HUGJCDIVNJCBSY-DZGCQCFKSA-N 0 3 377.941 3.954 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000850759734 877146752 /nfs/dbraw/zinc/14/67/52/877146752.db2.gz NEOYTZYCJIOKKK-NRFANRHFSA-N 0 3 382.508 3.515 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850762815 877151867 /nfs/dbraw/zinc/15/18/67/877151867.db2.gz OQYDGWGLGHTLMV-OAQYLSRUSA-N 0 3 383.492 3.887 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000776699682 879394494 /nfs/dbraw/zinc/39/44/94/879394494.db2.gz IEOOWQOLDLKLNY-AWEZNQCLSA-N 0 3 377.282 3.532 20 10 GHCDHN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000181179536 880062116 /nfs/dbraw/zinc/06/21/16/880062116.db2.gz IQEGQZASJPDDHG-RXVVDRJESA-N 0 3 395.551 3.647 20 10 GHCDHN COC(=O)c1csc(-c2cccc(C[NH2+]Cc3c([O-])cccc3OC)c2)n1 ZINC000790995402 880123379 /nfs/dbraw/zinc/12/33/79/880123379.db2.gz OORTZKJUHVEQTE-UHFFFAOYSA-N 0 3 384.457 3.601 20 10 GHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)c([O-])c1 ZINC000792188345 880975688 /nfs/dbraw/zinc/97/56/88/880975688.db2.gz ODPRPEYDUZIEOM-QHCPKHFHSA-N 0 3 395.503 3.743 20 10 GHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)c([O-])c1 ZINC000792188345 880975697 /nfs/dbraw/zinc/97/56/97/880975697.db2.gz ODPRPEYDUZIEOM-QHCPKHFHSA-N 0 3 395.503 3.743 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806465592 884734380 /nfs/dbraw/zinc/73/43/80/884734380.db2.gz XFNMOQLJAKADLX-OAQYLSRUSA-N 0 3 386.515 3.774 20 10 GHCDHN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000806846771 885022094 /nfs/dbraw/zinc/02/20/94/885022094.db2.gz WWAMMRZUTOYADH-PGRDOPGGSA-N 0 3 378.520 3.553 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1[O-] ZINC000154925821 885140153 /nfs/dbraw/zinc/14/01/53/885140153.db2.gz NFDDJBHGYVYCMW-HXUWFJFHSA-N 0 3 388.533 3.808 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795933159 913014574 /nfs/dbraw/zinc/01/45/74/913014574.db2.gz GLLCTLKDCUKSNY-LJQANCHMSA-N 0 3 394.943 3.533 20 10 GHCDHN COc1cc(CN(C)CCn2cc(Br)cn2)c(O)c(C(C)(C)C)c1 ZINC000808242879 886182480 /nfs/dbraw/zinc/18/24/80/886182480.db2.gz OLKHCWHYAPMFTM-UHFFFAOYSA-N 0 3 396.329 3.789 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OC1CC1 ZINC000862214052 886212860 /nfs/dbraw/zinc/21/28/60/886212860.db2.gz CKLBPCWOOFTTIV-UHFFFAOYSA-N 0 3 382.504 3.705 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC000862484463 886404518 /nfs/dbraw/zinc/40/45/18/886404518.db2.gz PQKIMNWNHZSANC-CABCVRRESA-N 0 3 388.430 3.917 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC000862484463 886404521 /nfs/dbraw/zinc/40/45/21/886404521.db2.gz PQKIMNWNHZSANC-CABCVRRESA-N 0 3 388.430 3.917 20 10 GHCDHN CC[S@@](=O)c1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000118999090 886485563 /nfs/dbraw/zinc/48/55/63/886485563.db2.gz DKJBDNSREHYMAB-NDEPHWFRSA-N 0 3 399.560 3.597 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1[O-] ZINC000808675583 886670005 /nfs/dbraw/zinc/67/00/05/886670005.db2.gz LXOWIXRTXZYTRD-CQSZACIVSA-N 0 3 393.915 3.649 20 10 GHCDHN COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808716708 886700482 /nfs/dbraw/zinc/70/04/82/886700482.db2.gz TZGKSIIXTWZXOZ-AWEZNQCLSA-N 0 3 397.924 3.625 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699439 886720881 /nfs/dbraw/zinc/72/08/81/886720881.db2.gz YRGDVYROZYNSGZ-YJYMSZOUSA-N 0 3 385.895 3.843 20 10 GHCDHN O=c1[nH]ccc2oc(CN[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21 ZINC000865478902 888376546 /nfs/dbraw/zinc/37/65/46/888376546.db2.gz ROEYORGVBQGQKF-CYBMUJFWSA-N 0 3 389.402 3.893 20 10 GHCDHN OCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000865654992 888500791 /nfs/dbraw/zinc/50/07/91/888500791.db2.gz YARISUABXWVCNX-HXUWFJFHSA-N 0 3 378.875 3.529 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1[O-] ZINC000763389863 889212456 /nfs/dbraw/zinc/21/24/56/889212456.db2.gz CYFFZEQEJJGFND-GOSISDBHSA-N 0 3 392.952 3.761 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1Cn1cccn1 ZINC000873008271 891423632 /nfs/dbraw/zinc/42/36/32/891423632.db2.gz QQLABRFVDBCYOI-INIZCTEOSA-N 0 3 379.460 3.562 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2coc(C3CCCCC3)n2)N(C)C)cc1 ZINC001134686431 893202214 /nfs/dbraw/zinc/20/22/14/893202214.db2.gz KDHPBRSKQADEEO-HXUWFJFHSA-N 0 3 384.524 3.821 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSC[C@H]2c2ccccc2)N(C)C)cc1 ZINC001134881736 893463117 /nfs/dbraw/zinc/46/31/17/893463117.db2.gz FVGRERYELHCQNM-BHDDXSALSA-N 0 3 397.588 3.618 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(F)F)cc2F)N(C)C)cc1 ZINC001134882429 893505495 /nfs/dbraw/zinc/50/54/95/893505495.db2.gz PPUZTKOVEQGFLQ-GOSISDBHSA-N 0 3 379.426 3.862 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc3c(F)ccc(F)c3c2)N(C)C)cc1 ZINC001134882984 893506211 /nfs/dbraw/zinc/50/62/11/893506211.db2.gz WLEBDXLOFKMMSH-FQEVSTJZSA-N 0 3 398.457 3.612 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877755934 893793396 /nfs/dbraw/zinc/79/33/96/893793396.db2.gz TVUYRLLQBVTYGW-NXWXRZEISA-N 0 3 390.524 3.847 20 10 GHCDHN COc1cc(CN[C@H](C)c2ccccc2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000877756565 893793944 /nfs/dbraw/zinc/79/39/44/893793944.db2.gz SKSMRPHKIQELJY-LLVKDONJSA-N 0 3 382.363 3.804 20 10 GHCDHN CCn1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c(-c2ccccc2)n1 ZINC000882904269 897087412 /nfs/dbraw/zinc/08/74/12/897087412.db2.gz UBRQOBDEZPMOEU-UHFFFAOYSA-N 0 3 394.494 3.836 20 10 GHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(N2CCCC2)n1 ZINC000289638722 914274624 /nfs/dbraw/zinc/27/46/24/914274624.db2.gz FNUGEHMATGEDRG-GOSISDBHSA-N 0 3 398.526 3.817 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(N2CCOCC2)cc1 ZINC000823730093 899228219 /nfs/dbraw/zinc/22/82/19/899228219.db2.gz QSWULEPRXNMEHN-GOSISDBHSA-N 0 3 382.504 3.925 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CCCO1 ZINC000824508781 899678942 /nfs/dbraw/zinc/67/89/42/899678942.db2.gz UIIFLESQVGDELJ-VXKWHMMOSA-N 0 3 383.488 3.741 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CCCO1 ZINC000824508781 899678946 /nfs/dbraw/zinc/67/89/46/899678946.db2.gz UIIFLESQVGDELJ-VXKWHMMOSA-N 0 3 383.488 3.741 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1[O-] ZINC000825118751 899991285 /nfs/dbraw/zinc/99/12/85/899991285.db2.gz WZQFTEQJABJWJR-BFYDXBDKSA-N 0 3 379.888 3.538 20 10 GHCDHN COc1cc(O)c(CN[C@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000825130105 899998216 /nfs/dbraw/zinc/99/82/16/899998216.db2.gz MYPUMSCOGLKPSJ-GOSISDBHSA-N 0 3 386.275 3.714 20 10 GHCDHN COc1cc(CN[C@@H](C[S@](C)=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000825450922 900171589 /nfs/dbraw/zinc/17/15/89/900171589.db2.gz MZFHQGJHXAISBH-SIBVEZHUSA-N 0 3 375.534 3.908 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3cc(O)cc(C(F)(F)F)c3)cc2)CC1 ZINC000289960146 914449320 /nfs/dbraw/zinc/44/93/20/914449320.db2.gz QRYHUSOIHQEVAU-UHFFFAOYSA-N 0 3 394.437 3.910 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1nccc2ccccc21 ZINC000886748973 901253368 /nfs/dbraw/zinc/25/33/68/901253368.db2.gz FKMNXVNYCUJSKX-QGZVFWFLSA-N 0 3 388.515 3.787 20 10 GHCDHN CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000779003876 902735498 /nfs/dbraw/zinc/73/54/98/902735498.db2.gz RIBOYVYOZFMYHP-LBPRGKRZSA-N 0 3 377.282 3.674 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1[O-] ZINC000779018589 902935200 /nfs/dbraw/zinc/93/52/00/902935200.db2.gz OKWTWUZLQFDPPE-NSHDSACASA-N 0 3 377.273 3.843 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000779037968 903367052 /nfs/dbraw/zinc/36/70/52/903367052.db2.gz XSZPOHVZYHBZGP-ZFWWWQNUSA-N 0 3 384.314 3.842 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1O ZINC000847009672 903391877 /nfs/dbraw/zinc/39/18/77/903391877.db2.gz UCINAFKSRAWFEN-UHFFFAOYSA-N 0 3 392.471 3.567 20 10 GHCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779052092 903597692 /nfs/dbraw/zinc/59/76/92/903597692.db2.gz MMTNUXYTYWFLOJ-RDBSUJKOSA-N 0 3 399.329 3.981 20 10 GHCDHN C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773166272 904513935 /nfs/dbraw/zinc/51/39/35/904513935.db2.gz WHBIEAWXUHNESV-GCJKJVERSA-N 0 3 380.536 3.950 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773231517 904596681 /nfs/dbraw/zinc/59/66/81/904596681.db2.gz WLOALPSETBHMGJ-UEXGIBASSA-N 0 3 380.536 3.948 20 10 GHCDHN COc1cc(O)c(CN2CCN(c3cccc4cnccc43)C[C@H]2C)cc1OC ZINC000773331295 904732567 /nfs/dbraw/zinc/73/25/67/904732567.db2.gz FCMNSOVCMDGOPL-MRXNPFEDSA-N 0 3 393.487 3.668 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])CC[C@H]2C1 ZINC001172521422 905580825 /nfs/dbraw/zinc/58/08/25/905580825.db2.gz GGDQIJBXLKXQQV-YSIASYRMSA-N 0 3 380.488 3.518 20 10 GHCDHN C[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1ccccc1[O-] ZINC001173011070 906088240 /nfs/dbraw/zinc/08/82/40/906088240.db2.gz QASHPWSXRKPMDY-LBPRGKRZSA-N 0 3 377.391 3.898 20 10 GHCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000190433466 908487304 /nfs/dbraw/zinc/48/73/04/908487304.db2.gz FSOJHFXWPZGLRR-RDJZCZTQSA-N 0 3 394.313 3.689 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1cc(Br)c2c(c1)OCCO2 ZINC001177805067 908764685 /nfs/dbraw/zinc/76/46/85/908764685.db2.gz YCRSURQOOVDTJV-UHFFFAOYSA-N 0 3 391.309 3.885 20 10 GHCDHN O=C1[C@H](NCc2ccc3c(c2)CCCO3)CCCN1Cc1ccc(F)cc1F ZINC001178518988 909086084 /nfs/dbraw/zinc/08/60/84/909086084.db2.gz HGLHVWVLCKYCPO-HXUWFJFHSA-N 0 3 386.442 3.571 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1F ZINC001179086302 909380878 /nfs/dbraw/zinc/38/08/78/909380878.db2.gz PMGKRSOXKFQLJB-ZWKOTPCHSA-N 0 3 395.494 3.956 20 10 GHCDHN C[C@@H](NC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000774253929 911563646 /nfs/dbraw/zinc/56/36/46/911563646.db2.gz GSFXXDKFUUUZBK-GOSISDBHSA-N 0 3 396.604 3.942 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000774482105 911788078 /nfs/dbraw/zinc/78/80/78/911788078.db2.gz GBWQPYQZOQQRNR-IRXDYDNUSA-N 0 3 378.520 3.632 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@H]([C@H]3CCCCO3)C2)c2cc(F)ccc2n1C ZINC001182917863 912146415 /nfs/dbraw/zinc/14/64/15/912146415.db2.gz DFIZQTFAYMGLKZ-MGPUTAFESA-N 0 3 388.483 3.885 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1[O-] ZINC000293667567 916321838 /nfs/dbraw/zinc/32/18/38/916321838.db2.gz OLYBZNKOJQSULY-QGZVFWFLSA-N 0 3 379.298 3.708 20 10 GHCDHN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000775256506 916638080 /nfs/dbraw/zinc/63/80/80/916638080.db2.gz ZCWDBAVYQAUFLD-ROUUACIJSA-N 0 3 399.510 3.533 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2cccc(Cl)c2Cl)c1 ZINC000775370954 917209127 /nfs/dbraw/zinc/20/91/27/917209127.db2.gz KDGCHPKIJMSQBJ-LBPRGKRZSA-N 0 3 397.302 3.717 20 10 GHCDHN COCCOC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCOCC1 ZINC000296646191 918534238 /nfs/dbraw/zinc/53/42/38/918534238.db2.gz YLYOUDRTILELLR-QFIPXVFZSA-N 0 3 399.531 3.868 20 10 GHCDHN COc1ccc2ccc(O)c(CN(CCNC(C)=O)Cc3ccsc3)c2c1 ZINC000800850546 920526444 /nfs/dbraw/zinc/52/64/44/920526444.db2.gz WKNVJIXIJHDMJA-UHFFFAOYSA-N 0 3 384.501 3.754 20 10 GHCDHN CCOc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(Cl)c1O ZINC000298692194 920814157 /nfs/dbraw/zinc/81/41/57/920814157.db2.gz LPNBLHZBTGCUAS-UHFFFAOYSA-N 0 3 394.874 3.710 20 10 GHCDHN Cc1cc(C(=O)CN2CCCN(C(C)C)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827662164 925915170 /nfs/dbraw/zinc/91/51/70/925915170.db2.gz ZZDDFHHGUXUTDX-UHFFFAOYSA-N 0 3 388.943 3.741 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)N[C@@H](C)C(C)C)CC3)c2c1 ZINC000725786450 926436855 /nfs/dbraw/zinc/43/68/55/926436855.db2.gz INPYARIDQIABCX-INIZCTEOSA-N 0 3 384.520 3.927 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000725848630 926466634 /nfs/dbraw/zinc/46/66/34/926466634.db2.gz ZDXAQLBTSUOFJC-AWEZNQCLSA-N 0 3 391.309 3.779 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000759654299 930440107 /nfs/dbraw/zinc/44/01/07/930440107.db2.gz APWSHOZCWBLETM-YADHBBJMSA-N 0 3 380.536 3.730 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1[O-] ZINC000690673294 930608361 /nfs/dbraw/zinc/60/83/61/930608361.db2.gz SPFZTSUPMXGUKO-DOTOQJQBSA-N 0 3 376.497 3.601 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c([O-])c1 ZINC000690671653 930608388 /nfs/dbraw/zinc/60/83/88/930608388.db2.gz OOKDQAVAAWBBEY-HOTGVXAUSA-N 0 3 376.497 3.520 20 10 GHCDHN Cc1oc2ccccc2c1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925056004 931626917 /nfs/dbraw/zinc/62/69/17/931626917.db2.gz RLXLRVLDELGBBA-INIZCTEOSA-N 0 3 398.528 3.827 20 10 GHCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1coc2ccccc21 ZINC000925056669 931627515 /nfs/dbraw/zinc/62/75/15/931627515.db2.gz ZNARMHXNAXUFFW-INIZCTEOSA-N 0 3 384.501 3.518 20 10 GHCDHN COC[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H](C)O1 ZINC000783969836 931734413 /nfs/dbraw/zinc/73/44/13/931734413.db2.gz YBFGSZKHSPQAAY-DOMZBBRYSA-N 0 3 380.282 3.544 20 10 GHCDHN COC[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H](C)O1 ZINC000783969836 931734417 /nfs/dbraw/zinc/73/44/17/931734417.db2.gz YBFGSZKHSPQAAY-DOMZBBRYSA-N 0 3 380.282 3.544 20 10 GHCDHN CN(C)c1ccc([C@@H](CN[C@H]2CCCc3n[nH]cc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897359 932102443 /nfs/dbraw/zinc/10/24/43/932102443.db2.gz LRHCJSFYSRPDPW-AZUAARDMSA-N 0 3 399.539 3.709 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927016999 932382480 /nfs/dbraw/zinc/38/24/80/932382480.db2.gz VIWKTNBWLVWKFH-HIFRSBDPSA-N 0 3 384.314 3.842 20 10 GHCDHN CN(CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000797972612 932475344 /nfs/dbraw/zinc/47/53/44/932475344.db2.gz WBQWIERUSSVUJB-GOSISDBHSA-N 0 3 378.513 3.630 20 10 GHCDHN CN(CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000797972612 932475353 /nfs/dbraw/zinc/47/53/53/932475353.db2.gz WBQWIERUSSVUJB-GOSISDBHSA-N 0 3 378.513 3.630 20 10 GHCDHN CCOCc1cc(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)ccc1OC ZINC000798504772 932678889 /nfs/dbraw/zinc/67/88/89/932678889.db2.gz DMFKZINQQYQYOC-DYESRHJHSA-N 0 3 382.504 3.511 20 10 GHCDHN COC(=O)[C@H](C)[C@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1ccccc1 ZINC000828364818 935620038 /nfs/dbraw/zinc/62/00/38/935620038.db2.gz KFFNTTGBOYMEPK-JPYJTQIMSA-N 0 3 396.531 3.942 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000828511056 935648889 /nfs/dbraw/zinc/64/88/89/935648889.db2.gz IQLHCZNVFWHRRD-XMMPIXPASA-N 0 3 379.548 3.791 20 10 GHCDHN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001221172971 1032316845 /nfs/dbraw/zinc/31/68/45/1032316845.db2.gz KBBYSBNTXCSPRO-YSGRDPCXSA-N 0 3 384.524 3.571 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1[O-] ZINC001204340689 1032783657 /nfs/dbraw/zinc/78/36/57/1032783657.db2.gz YVOFEENEGOXJGD-OAHLLOKOSA-N 0 3 378.266 3.599 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1[O-] ZINC001204340689 1032783670 /nfs/dbraw/zinc/78/36/70/1032783670.db2.gz YVOFEENEGOXJGD-OAHLLOKOSA-N 0 3 378.266 3.599 20 10 GHCDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000092585380 1021085501 /nfs/dbraw/zinc/08/55/01/1021085501.db2.gz JEOSHUHNULCYFJ-KRWDZBQOSA-N 0 3 387.549 3.517 20 10 GHCDHN Cc1ccc(N2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)c(C)c1 ZINC001140285549 1021316238 /nfs/dbraw/zinc/31/62/38/1021316238.db2.gz OMVJDGDILCSVGD-UHFFFAOYSA-N 0 3 379.548 3.587 20 10 GHCDHN OC1CCN(c2ccc(CN3CC[C@@H](Oc4cc(F)ccc4F)C3)cc2)CC1 ZINC001140286144 1021317611 /nfs/dbraw/zinc/31/76/11/1021317611.db2.gz KDIINZCEQBHBLA-HXUWFJFHSA-N 0 3 388.458 3.579 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)CC2 ZINC000834783739 1021467490 /nfs/dbraw/zinc/46/74/90/1021467490.db2.gz NGXUTFKKBCLMMS-SUMWQHHRSA-N 0 3 376.294 3.583 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)CC2 ZINC000834783737 1021467716 /nfs/dbraw/zinc/46/77/16/1021467716.db2.gz NGXUTFKKBCLMMS-GUYCJALGSA-N 0 3 376.294 3.583 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000835025441 1021781058 /nfs/dbraw/zinc/78/10/58/1021781058.db2.gz IPPVJHUCSRKAAZ-ONEGZZNKSA-N 0 3 395.522 3.933 20 10 GHCDHN COC1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140664669 1022208776 /nfs/dbraw/zinc/20/87/76/1022208776.db2.gz OEQYHNGJZIEGDY-UHFFFAOYSA-N 0 3 384.495 3.800 20 10 GHCDHN CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725845353 1022386033 /nfs/dbraw/zinc/38/60/33/1022386033.db2.gz ZEIAMCYDHGRTJX-UHFFFAOYSA-N 0 3 382.485 3.721 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725846538 1022386161 /nfs/dbraw/zinc/38/61/61/1022386161.db2.gz LUCXYJQCYCHLGV-MRXNPFEDSA-N 0 3 396.512 3.818 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(C[C@H](OC)c3ccccc3)CC2)c(O)c1 ZINC001140857559 1022715578 /nfs/dbraw/zinc/71/55/78/1022715578.db2.gz QNCFJNIMMPXBSX-DEOSSOPVSA-N 0 3 397.563 3.744 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c([O-])c1 ZINC001140949377 1022969516 /nfs/dbraw/zinc/96/95/16/1022969516.db2.gz AINXNNHNXBJTAV-UHFFFAOYSA-N 0 3 379.504 3.614 20 10 GHCDHN COc1cc(O)c(CN2CCN([C@H]3CCCc4ccccc43)CC2)c(OC)c1 ZINC001141030730 1023295906 /nfs/dbraw/zinc/29/59/06/1023295906.db2.gz IVHFZZVSKLYCHK-NRFANRHFSA-N 0 3 382.504 3.605 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756340535 1023596868 /nfs/dbraw/zinc/59/68/68/1023596868.db2.gz FUDLXFYRYQDXSM-OIISXLGYSA-N 0 3 389.540 3.719 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2ccc(N(C)C)cc2)cc1 ZINC000756362762 1023608372 /nfs/dbraw/zinc/60/83/72/1023608372.db2.gz LMIPGUOIXCUIKX-VXKWHMMOSA-N 0 3 386.561 3.936 20 10 GHCDHN CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000756435279 1023648002 /nfs/dbraw/zinc/64/80/02/1023648002.db2.gz YSOMWNYDJLRUOS-INIZCTEOSA-N 0 3 389.490 3.659 20 10 GHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000756448180 1023655416 /nfs/dbraw/zinc/65/54/16/1023655416.db2.gz AEXVKGSFCFSTGT-IGCXYCKISA-N 0 3 392.496 3.681 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756651664 1023755710 /nfs/dbraw/zinc/75/57/10/1023755710.db2.gz XEQHGSJMAFLZMP-SZVBFZGTSA-N 0 3 382.479 3.903 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)c2c1c(F)ccc2[O-] ZINC000756736060 1023792992 /nfs/dbraw/zinc/79/29/92/1023792992.db2.gz KYZYIEPHASIJDA-LZQZEXGQSA-N 0 3 382.479 3.903 20 10 GHCDHN Cc1c(CN2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c2ccccc2n1C ZINC001138253996 1024475526 /nfs/dbraw/zinc/47/55/26/1024475526.db2.gz NELIKKJCPPOFDN-SFHVURJKSA-N 0 3 378.520 3.759 20 10 GHCDHN Cc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc2cccnc12 ZINC000839146174 1025643364 /nfs/dbraw/zinc/64/33/64/1025643364.db2.gz YLLKPABFHUPHRH-UHFFFAOYSA-N 0 3 383.442 3.948 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000839187100 1025702753 /nfs/dbraw/zinc/70/27/53/1025702753.db2.gz QJPZBWDDCPYGGP-OWCLPIDISA-N 0 3 376.497 3.526 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc(N(C)C)c(C)c3)CC2)cc1 ZINC001164336281 1026490717 /nfs/dbraw/zinc/49/07/17/1026490717.db2.gz WLTNZWHNMWKEHS-UHFFFAOYSA-N 0 3 382.552 3.694 20 10 GHCDHN Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203551664 1027430723 /nfs/dbraw/zinc/43/07/23/1027430723.db2.gz JUTOALWOJUHXDV-DEOSSOPVSA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203551664 1027430737 /nfs/dbraw/zinc/43/07/37/1027430737.db2.gz JUTOALWOJUHXDV-DEOSSOPVSA-N 0 3 387.483 3.832 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)c([O-])c1 ZINC001203622367 1027483518 /nfs/dbraw/zinc/48/35/18/1027483518.db2.gz ZLQIXBLSGHANNI-UHFFFAOYSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)c([O-])c1 ZINC001203622694 1027484202 /nfs/dbraw/zinc/48/42/02/1027484202.db2.gz AMAVNHZXZBUQBB-NRFANRHFSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)c([O-])c1 ZINC001203622694 1027484214 /nfs/dbraw/zinc/48/42/14/1027484214.db2.gz AMAVNHZXZBUQBB-NRFANRHFSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c([O-])c1 ZINC001203622952 1027486496 /nfs/dbraw/zinc/48/64/96/1027486496.db2.gz GTQWNRMFTZWQSY-OFNKIYASSA-N 0 3 382.504 3.923 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c([O-])c1 ZINC001203622952 1027486509 /nfs/dbraw/zinc/48/65/09/1027486509.db2.gz GTQWNRMFTZWQSY-OFNKIYASSA-N 0 3 382.504 3.923 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CCCCN2Cc2ccc(O)c(O)c2)CC1 ZINC001203874712 1027675557 /nfs/dbraw/zinc/67/55/57/1027675557.db2.gz CAQAXMFHHXIFKT-UHFFFAOYSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)NC(=O)c1ccccc1OC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937649 1027732298 /nfs/dbraw/zinc/73/22/98/1027732298.db2.gz IRWPLUSSPGLKOX-UHFFFAOYSA-N 0 3 395.547 3.934 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(Oc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001203943364 1027738701 /nfs/dbraw/zinc/73/87/01/1027738701.db2.gz YRFIVSXONYABSC-UHFFFAOYSA-N 0 3 381.520 3.675 20 10 GHCDHN CCOC(=O)c1c2ccccc2sc1NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001218587124 1030996211 /nfs/dbraw/zinc/99/62/11/1030996211.db2.gz HAGJZWVCAQNCBI-CQSZACIVSA-N 0 3 384.457 3.812 20 10 GHCDHN [NH3+][C@H](CC(=O)Nc1ccc2c(c1)N(Cc1ccccc1)CC2)c1ccccc1[O-] ZINC001219520603 1031469251 /nfs/dbraw/zinc/46/92/51/1031469251.db2.gz JKWXPGFBEKLKEA-OAQYLSRUSA-N 0 3 387.483 3.984 20 10 GHCDHN COc1cc(C)cc(CNc2ccc(N3CCN(C)CC3)c3ccncc23)c1O ZINC001207812216 1034590400 /nfs/dbraw/zinc/59/04/00/1034590400.db2.gz AZZFSPYLYNUTQS-UHFFFAOYSA-N 0 3 392.503 3.621 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001231468441 1034612587 /nfs/dbraw/zinc/61/25/87/1034612587.db2.gz AFMKUXAONXCFSK-OAQYLSRUSA-N 0 3 391.471 3.805 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001231468441 1034612591 /nfs/dbraw/zinc/61/25/91/1034612591.db2.gz AFMKUXAONXCFSK-OAQYLSRUSA-N 0 3 391.471 3.805 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001231555062 1034707668 /nfs/dbraw/zinc/70/76/68/1034707668.db2.gz HGDDSBQSUPISEU-ZDUSSCGKSA-N 0 3 393.281 3.520 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c([O-])ccc3ccccc32)n1 ZINC001231587152 1034739143 /nfs/dbraw/zinc/73/91/43/1034739143.db2.gz KUNWSDRZSFPUBI-FCHUYYIVSA-N 0 3 387.483 3.624 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2c([O-])ccc3ccccc32)n1 ZINC001231587152 1034739155 /nfs/dbraw/zinc/73/91/55/1034739155.db2.gz KUNWSDRZSFPUBI-FCHUYYIVSA-N 0 3 387.483 3.624 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001231588314 1034742160 /nfs/dbraw/zinc/74/21/60/1034742160.db2.gz VNJCPXBVMFVSKH-QPTUXGOLSA-N 0 3 397.515 3.720 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001231588314 1034742172 /nfs/dbraw/zinc/74/21/72/1034742172.db2.gz VNJCPXBVMFVSKH-QPTUXGOLSA-N 0 3 397.515 3.720 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c(O)c1 ZINC001231843938 1034937803 /nfs/dbraw/zinc/93/78/03/1034937803.db2.gz DDJKOKUPEDIHLR-KJXAQDMKSA-N 0 3 382.504 3.600 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001231851832 1034942548 /nfs/dbraw/zinc/94/25/48/1034942548.db2.gz NGOCWTPAELROHZ-APWZRJJASA-N 0 3 389.540 3.593 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001231852760 1034943511 /nfs/dbraw/zinc/94/35/11/1034943511.db2.gz NBMTYCXMOHKKSY-JOCHJYFZSA-N 0 3 399.560 3.760 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)ccc2ccccc21 ZINC001231880003 1034963664 /nfs/dbraw/zinc/96/36/64/1034963664.db2.gz ABPSFQBVBBPSTQ-BULFRSBZSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)ccc2ccccc21 ZINC001231880003 1034963666 /nfs/dbraw/zinc/96/36/66/1034963666.db2.gz ABPSFQBVBBPSTQ-BULFRSBZSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1c(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccc2ccccc21 ZINC001231881801 1034965914 /nfs/dbraw/zinc/96/59/14/1034965914.db2.gz IDBOQKNAAJTGLW-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN CCc1c(Cl)ncnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160622313 1035018369 /nfs/dbraw/zinc/01/83/69/1035018369.db2.gz DSBSKFXHIKVUCA-QZTJIDSGSA-N 0 3 384.867 3.957 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@H]3CCC[C@@H]32)c1O ZINC001248400915 1035814716 /nfs/dbraw/zinc/81/47/16/1035814716.db2.gz FLFHAXGLABVNBI-RISCZKNCSA-N 0 3 387.261 3.770 20 10 GHCDHN NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c(F)c1 ZINC001462025739 1069952366 /nfs/dbraw/zinc/95/23/66/1069952366.db2.gz KUUBURZZDCEVGC-UHFFFAOYSA-N 0 3 392.496 3.514 20 10 GHCDHN NS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c(F)c1 ZINC001462025739 1069952369 /nfs/dbraw/zinc/95/23/69/1069952369.db2.gz KUUBURZZDCEVGC-UHFFFAOYSA-N 0 3 392.496 3.514 20 10 GHCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)c(Br)c2)[C@H]1OC ZINC001462062864 1069974129 /nfs/dbraw/zinc/97/41/29/1069974129.db2.gz UYACYYJDOPZMJK-BHIYHBOVSA-N 0 3 397.357 3.721 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C2(C(=O)NCC(C)C)CCCC2)c1[O-] ZINC001462125977 1070018159 /nfs/dbraw/zinc/01/81/59/1070018159.db2.gz HCKNRXCHZUIKMZ-UHFFFAOYSA-N 0 3 383.330 3.638 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001233196105 1038963606 /nfs/dbraw/zinc/96/36/06/1038963606.db2.gz SMVHZTPFXPAVDT-UHFFFAOYSA-N 0 3 387.281 3.737 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289046 1039069874 /nfs/dbraw/zinc/06/98/74/1039069874.db2.gz HXYUJKCXHQVZTE-CJNGLKHVSA-N 0 3 393.940 3.607 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289046 1039069893 /nfs/dbraw/zinc/06/98/93/1039069893.db2.gz HXYUJKCXHQVZTE-CJNGLKHVSA-N 0 3 393.940 3.607 20 10 GHCDHN O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454870 1039343628 /nfs/dbraw/zinc/34/36/28/1039343628.db2.gz MZZUZGQPRSSHMA-UHFFFAOYSA-N 0 3 378.394 3.759 20 10 GHCDHN O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454870 1039343634 /nfs/dbraw/zinc/34/36/34/1039343634.db2.gz MZZUZGQPRSSHMA-UHFFFAOYSA-N 0 3 378.394 3.759 20 10 GHCDHN CCOC(=O)c1cn2cccc(CN(CC)Cc3ccc(N(C)C)cc3)c2n1 ZINC001233460246 1039351739 /nfs/dbraw/zinc/35/17/39/1039351739.db2.gz RHCZTDOBIDADBJ-UHFFFAOYSA-N 0 3 380.492 3.599 20 10 GHCDHN CC(=O)N1CCCCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233755831 1039591610 /nfs/dbraw/zinc/59/16/10/1039591610.db2.gz YZNDMWYIEOXEDL-UHFFFAOYSA-N 0 3 386.414 3.658 20 10 GHCDHN Cc1cccnc1N1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233754465 1039591844 /nfs/dbraw/zinc/59/18/44/1039591844.db2.gz GKUCMMJXURGRLP-UHFFFAOYSA-N 0 3 381.398 3.707 20 10 GHCDHN Cc1cccnc1N1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233754465 1039591854 /nfs/dbraw/zinc/59/18/54/1039591854.db2.gz GKUCMMJXURGRLP-UHFFFAOYSA-N 0 3 381.398 3.707 20 10 GHCDHN COc1ccccc1O[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754426 1039592610 /nfs/dbraw/zinc/59/26/10/1039592610.db2.gz DWFWMEOKZIWZHC-AWEZNQCLSA-N 0 3 383.366 3.953 20 10 GHCDHN COc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754426 1039592623 /nfs/dbraw/zinc/59/26/23/1039592623.db2.gz DWFWMEOKZIWZHC-AWEZNQCLSA-N 0 3 383.366 3.953 20 10 GHCDHN O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NCc1c([O-])cccc1F ZINC001253743295 1039790359 /nfs/dbraw/zinc/79/03/59/1039790359.db2.gz VRTLGIYLKHYUKY-UHFFFAOYSA-N 0 3 385.483 3.633 20 10 GHCDHN COc1cc(N2CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)ccn1 ZINC001234997502 1040492476 /nfs/dbraw/zinc/49/24/76/1040492476.db2.gz DGXHRHZDGPXNPV-UHFFFAOYSA-N 0 3 375.472 3.785 20 10 GHCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001235002937 1040496557 /nfs/dbraw/zinc/49/65/57/1040496557.db2.gz RZBGZLGBMZHDJS-NFBKMPQASA-N 0 3 381.472 3.603 20 10 GHCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001235002937 1040496564 /nfs/dbraw/zinc/49/65/64/1040496564.db2.gz RZBGZLGBMZHDJS-NFBKMPQASA-N 0 3 381.472 3.603 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679511 1041140998 /nfs/dbraw/zinc/14/09/98/1041140998.db2.gz PGTOHTTVTCQBJC-GBXCKJPGSA-N 0 3 393.531 3.613 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679511 1041141007 /nfs/dbraw/zinc/14/10/07/1041141007.db2.gz PGTOHTTVTCQBJC-GBXCKJPGSA-N 0 3 393.531 3.613 20 10 GHCDHN CN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236216425 1041626073 /nfs/dbraw/zinc/62/60/73/1041626073.db2.gz KRBNKPKICQVUJY-OLZOCXBDSA-N 0 3 381.236 3.875 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2Cc3ccccc3C(C)(C)C2)N(C)C)cc1 ZINC001256236287 1041670580 /nfs/dbraw/zinc/67/05/80/1041670580.db2.gz FGKKDJAWWJNOGZ-QFIPXVFZSA-N 0 3 394.563 3.858 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC=C(c3ccccc3)C2)N(C)C)cc1 ZINC001256237299 1041671368 /nfs/dbraw/zinc/67/13/68/1041671368.db2.gz WLWXWEOXSYAOBI-HSZRJFAPSA-N 0 3 392.547 3.854 20 10 GHCDHN COc1cc([O-])c(CN(Cc2ccccc2F)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236356130 1041680383 /nfs/dbraw/zinc/68/03/83/1041680383.db2.gz NKBBXSGZEOMWBK-MRXNPFEDSA-N 0 3 378.875 3.948 20 10 GHCDHN CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(CC)cc3[O-])C2)cc1 ZINC001236788495 1041893814 /nfs/dbraw/zinc/89/38/14/1041893814.db2.gz OLODCHVQTUSULA-NRFANRHFSA-N 0 3 382.504 3.748 20 10 GHCDHN CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(CC)cc3[O-])C2)cc1 ZINC001236788495 1041893820 /nfs/dbraw/zinc/89/38/20/1041893820.db2.gz OLODCHVQTUSULA-NRFANRHFSA-N 0 3 382.504 3.748 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001236806806 1041907866 /nfs/dbraw/zinc/90/78/66/1041907866.db2.gz BKLATNWHVYISFW-HZPDHXFCSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001236806806 1041907868 /nfs/dbraw/zinc/90/78/68/1041907868.db2.gz BKLATNWHVYISFW-HZPDHXFCSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001236811076 1041911528 /nfs/dbraw/zinc/91/15/28/1041911528.db2.gz LOHIWJKBMHEJSD-NRFANRHFSA-N 0 3 386.517 3.708 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001236811076 1041911534 /nfs/dbraw/zinc/91/15/34/1041911534.db2.gz LOHIWJKBMHEJSD-NRFANRHFSA-N 0 3 386.517 3.708 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236812614 1041912352 /nfs/dbraw/zinc/91/23/52/1041912352.db2.gz CFNZUQPRPQYIFC-LJQANCHMSA-N 0 3 390.524 3.979 20 10 GHCDHN CC(C)n1nc(CN(C)C)c2c1CN(Cc1cc3ccccc3cc1O)CC2 ZINC001236828038 1041919330 /nfs/dbraw/zinc/91/93/30/1041919330.db2.gz DCXCIDKUDZYPIJ-UHFFFAOYSA-N 0 3 378.520 3.943 20 10 GHCDHN O=C1[C@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001236829685 1041920722 /nfs/dbraw/zinc/92/07/22/1041920722.db2.gz JKVWMVQCCOBGFJ-UNMCSNQZSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001236829685 1041920725 /nfs/dbraw/zinc/92/07/25/1041920725.db2.gz JKVWMVQCCOBGFJ-UNMCSNQZSA-N 0 3 390.458 3.775 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001237042130 1042001768 /nfs/dbraw/zinc/00/17/68/1042001768.db2.gz WUSAGLZTASBJTB-BJKOFHAPSA-N 0 3 394.515 3.555 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001237042130 1042001773 /nfs/dbraw/zinc/00/17/73/1042001773.db2.gz WUSAGLZTASBJTB-BJKOFHAPSA-N 0 3 394.515 3.555 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c([O-])c1 ZINC001237047577 1042006486 /nfs/dbraw/zinc/00/64/86/1042006486.db2.gz BRJGSLUBZLKDKD-XMMPIXPASA-N 0 3 393.531 3.925 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c([O-])c1 ZINC001237047577 1042006493 /nfs/dbraw/zinc/00/64/93/1042006493.db2.gz BRJGSLUBZLKDKD-XMMPIXPASA-N 0 3 393.531 3.925 20 10 GHCDHN Cc1nc(CN2CC[C@]3(CC[N@@H+](Cc4ccc(C(C)C)cc4[O-])C3)C2=O)cs1 ZINC001237047573 1042006951 /nfs/dbraw/zinc/00/69/51/1042006951.db2.gz BPHCGPSFIZBPAE-QFIPXVFZSA-N 0 3 399.560 3.905 20 10 GHCDHN Cc1nc(CN2CC[C@]3(CC[N@H+](Cc4ccc(C(C)C)cc4[O-])C3)C2=O)cs1 ZINC001237047573 1042006958 /nfs/dbraw/zinc/00/69/58/1042006958.db2.gz BPHCGPSFIZBPAE-QFIPXVFZSA-N 0 3 399.560 3.905 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001237055230 1042013422 /nfs/dbraw/zinc/01/34/22/1042013422.db2.gz BVLKAJAJTFKEJR-QGZVFWFLSA-N 0 3 382.382 3.772 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001237055230 1042013425 /nfs/dbraw/zinc/01/34/25/1042013425.db2.gz BVLKAJAJTFKEJR-QGZVFWFLSA-N 0 3 382.382 3.772 20 10 GHCDHN Oc1cc2c(cc1O)CN(Cc1ccc(OCC(F)(F)F)cc1O)CCC2 ZINC001237063180 1042016580 /nfs/dbraw/zinc/01/65/80/1042016580.db2.gz STICKFRMXQNSOB-UHFFFAOYSA-N 0 3 383.366 3.693 20 10 GHCDHN O=C(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237135437 1042057659 /nfs/dbraw/zinc/05/76/59/1042057659.db2.gz HZZVJTZPZQEQRP-CALCHBBNSA-N 0 3 390.405 3.615 20 10 GHCDHN O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237135437 1042057661 /nfs/dbraw/zinc/05/76/61/1042057661.db2.gz HZZVJTZPZQEQRP-CALCHBBNSA-N 0 3 390.405 3.615 20 10 GHCDHN CN(C)C(=O)N1CCCC12CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237136872 1042058295 /nfs/dbraw/zinc/05/82/95/1042058295.db2.gz KUZULLDKKCVAHV-UHFFFAOYSA-N 0 3 385.430 3.523 20 10 GHCDHN CN(C)C(=O)N1CCCC12CCN(Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237136872 1042058298 /nfs/dbraw/zinc/05/82/98/1042058298.db2.gz KUZULLDKKCVAHV-UHFFFAOYSA-N 0 3 385.430 3.523 20 10 GHCDHN Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2c(C)cccc2[O-])CC3)n1 ZINC001237487347 1042230586 /nfs/dbraw/zinc/23/05/86/1042230586.db2.gz YJUKJXBRTROYOF-UHFFFAOYSA-N 0 3 379.504 3.561 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001237488431 1042231746 /nfs/dbraw/zinc/23/17/46/1042231746.db2.gz LPUKDXNZBLOLJR-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001237488431 1042231748 /nfs/dbraw/zinc/23/17/48/1042231748.db2.gz LPUKDXNZBLOLJR-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1O ZINC001237683685 1042323604 /nfs/dbraw/zinc/32/36/04/1042323604.db2.gz HUPSIFITWUGIGT-HNNXBMFYSA-N 0 3 376.932 3.968 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1[O-] ZINC001237686822 1042326677 /nfs/dbraw/zinc/32/66/77/1042326677.db2.gz TURFPXFZFIFRLV-IBGZPJMESA-N 0 3 384.907 3.992 20 10 GHCDHN O=S(=O)([N-][C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238063003 1042479839 /nfs/dbraw/zinc/47/98/39/1042479839.db2.gz FOMDSRWXGHVYKJ-PXFSWQRTSA-N 0 3 398.410 3.675 20 10 GHCDHN Cc1c(Cl)cccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463286973 1070964158 /nfs/dbraw/zinc/96/41/58/1070964158.db2.gz VWVAJTISQVWCHO-LJQANCHMSA-N 0 3 389.927 3.512 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307538452 1049382111 /nfs/dbraw/zinc/38/21/11/1049382111.db2.gz ZFOZGOGVJDKYRT-SFHVURJKSA-N 0 3 390.524 3.630 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307538452 1049382122 /nfs/dbraw/zinc/38/21/22/1049382122.db2.gz ZFOZGOGVJDKYRT-SFHVURJKSA-N 0 3 390.524 3.630 20 10 GHCDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CCCCC1 ZINC001307566081 1049407904 /nfs/dbraw/zinc/40/79/04/1049407904.db2.gz GRMHTWQVVJELDE-UXHICEINSA-N 0 3 388.508 3.527 20 10 GHCDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CCCCC1 ZINC001307566081 1049407906 /nfs/dbraw/zinc/40/79/06/1049407906.db2.gz GRMHTWQVVJELDE-UXHICEINSA-N 0 3 388.508 3.527 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c(c2)CCCC3)N(C)C)cc1 ZINC001289600501 1049556401 /nfs/dbraw/zinc/55/64/01/1049556401.db2.gz QEABRBJLFLZTAD-QHCPKHFHSA-N 0 3 379.548 3.593 20 10 GHCDHN C[C@@H](CSc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289600598 1049556420 /nfs/dbraw/zinc/55/64/20/1049556420.db2.gz ULVQGLRHXAWMAF-UWJYYQICSA-N 0 3 385.577 3.900 20 10 GHCDHN Cc1ccc(Cl)cc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289602155 1049557382 /nfs/dbraw/zinc/55/73/82/1049557382.db2.gz LABAUTSPKFWIEW-LJQANCHMSA-N 0 3 389.927 3.512 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@]23CCCC[C@H]2C3(F)F)N(C)C)cc1 ZINC001289601917 1049557587 /nfs/dbraw/zinc/55/75/87/1049557587.db2.gz GGBJHQUARSSJKG-NLWGTHIKSA-N 0 3 379.495 3.687 20 10 GHCDHN COc1cc(C)c(C[NH2+]Cc2ccc(I)c(C)c2)c([O-])c1 ZINC001308729049 1050073341 /nfs/dbraw/zinc/07/33/41/1050073341.db2.gz WGTIUAIOTCQJBR-UHFFFAOYSA-N 0 3 397.256 3.912 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC001330795856 1051110418 /nfs/dbraw/zinc/11/04/18/1051110418.db2.gz XOWPNZHFTBXYTR-AWEZNQCLSA-N 0 3 396.432 3.842 20 10 GHCDHN CSc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001311545304 1052235281 /nfs/dbraw/zinc/23/52/81/1052235281.db2.gz KTGPKIOKKQMAMC-HXUWFJFHSA-N 0 3 386.565 3.577 20 10 GHCDHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccccc2O)N(C)C)cc1 ZINC001312805126 1052876119 /nfs/dbraw/zinc/87/61/19/1052876119.db2.gz GDGZTOWCOYHGMP-JXFKEZNVSA-N 0 3 385.508 3.843 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(c3ccccc3F)CCC2)N(C)C)cc1 ZINC001313413009 1053046691 /nfs/dbraw/zinc/04/66/91/1053046691.db2.gz LFCOUGQQFTVTMI-NRFANRHFSA-N 0 3 398.526 3.873 20 10 GHCDHN Cc1ccccc1CC1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001313413030 1053046769 /nfs/dbraw/zinc/04/67/69/1053046769.db2.gz LMLJBFIVCBNQTO-HSZRJFAPSA-N 0 3 394.563 3.548 20 10 GHCDHN Cc1ccccc1[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001313417149 1053048373 /nfs/dbraw/zinc/04/83/73/1053048373.db2.gz RIJWAWWRJBQCTO-REWPJTCUSA-N 0 3 394.563 3.863 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccnn2CCN(C)C)c1 ZINC001344978978 1054836300 /nfs/dbraw/zinc/83/63/00/1054836300.db2.gz UDWDLDIRXSAHRE-UHFFFAOYSA-N 0 3 385.899 3.758 20 10 GHCDHN CCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001319133996 1055054540 /nfs/dbraw/zinc/05/45/40/1055054540.db2.gz QOPCDOYAEWEKIE-VQIMIIECSA-N 0 3 395.494 3.638 20 10 GHCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)no1 ZINC001319706095 1055415592 /nfs/dbraw/zinc/41/55/92/1055415592.db2.gz VFZWXHOQSHITEZ-UHFFFAOYSA-N 0 3 391.471 3.750 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC[C@]4(C3)OCc3ccccc34)cc2F)CC1 ZINC001320717587 1055938304 /nfs/dbraw/zinc/93/83/04/1055938304.db2.gz LLBKLARDGBGDEK-XMMPIXPASA-N 0 3 395.522 3.599 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1[O-] ZINC000848518128 1057144797 /nfs/dbraw/zinc/14/47/97/1057144797.db2.gz GVFVTLLLPAPBND-NSHDSACASA-N 0 3 393.281 3.973 20 10 GHCDHN Cc1ncncc1[C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000848539750 1057161451 /nfs/dbraw/zinc/16/14/51/1057161451.db2.gz MWEQWDWUVNSUOB-FOIQADDNSA-N 0 3 399.539 3.768 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1[O-] ZINC000848548128 1057169386 /nfs/dbraw/zinc/16/93/86/1057169386.db2.gz XUGDSXYEIXXBMK-WFASDCNBSA-N 0 3 383.330 3.831 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)c1[O-] ZINC000848547639 1057170089 /nfs/dbraw/zinc/17/00/89/1057170089.db2.gz REOGRUPRYKBWKB-BBRMVZONSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000848553694 1057175782 /nfs/dbraw/zinc/17/57/82/1057175782.db2.gz OZPUJMSJIUNBKB-DGCLKSJQSA-N 0 3 398.272 3.729 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])[C@@H]1SC ZINC000848555565 1057176287 /nfs/dbraw/zinc/17/62/87/1057176287.db2.gz UAUIHLXPPAVMSR-HVOGRVBKSA-N 0 3 390.343 3.723 20 10 GHCDHN COc1cc(Cl)c(F)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001439959365 1058364883 /nfs/dbraw/zinc/36/48/83/1058364883.db2.gz DJVMFSBZRRJSJA-SFHVURJKSA-N 0 3 393.890 3.586 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncoc2-c2ccc(F)cc2)N(C)C)cc1 ZINC001439960216 1058367452 /nfs/dbraw/zinc/36/74/52/1058367452.db2.gz KWZFIMQMIVSMRB-LJQANCHMSA-N 0 3 396.466 3.579 20 10 GHCDHN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC[C@@H]3CCCCN23)cc1 ZINC001452604671 1060971042 /nfs/dbraw/zinc/97/10/42/1060971042.db2.gz AQVAXKGYBRUJEX-ZWKOTPCHSA-N 0 3 383.458 3.660 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)c(N)c(Cl)c2)N(C)C)cc1 ZINC001456931283 1062921924 /nfs/dbraw/zinc/92/19/24/1062921924.db2.gz KIAQYTUEZQOOAL-QGZVFWFLSA-N 0 3 395.334 3.674 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(F)c(F)cc2F)N(C)C)cc1 ZINC001465603428 1065741346 /nfs/dbraw/zinc/74/13/46/1065741346.db2.gz GUVFETYERKVFLX-GOSISDBHSA-N 0 3 380.414 3.594 20 10 GHCDHN CC1CC[NH+]([C@@H](CNC(=O)NCc2c([O-])cccc2F)c2ccccc2)CC1 ZINC001468177729 1067621641 /nfs/dbraw/zinc/62/16/41/1067621641.db2.gz RMKVIILSPYTFQT-FQEVSTJZSA-N 0 3 385.483 3.804 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)N(C)C)cc1 ZINC001470356023 1068697091 /nfs/dbraw/zinc/69/70/91/1068697091.db2.gz MGILESVSPVZLLZ-SYYKKAFVSA-N 0 3 398.526 3.740 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C2CCC2)C2CCC2)N(C)C)cc1 ZINC001470908780 1072806162 /nfs/dbraw/zinc/80/61/62/1072806162.db2.gz YDRMTRHBHYLCTO-JOCHJYFZSA-N 0 3 386.584 3.871 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)c2ccccc2F)N(C)C)cc1 ZINC001471548159 1073126658 /nfs/dbraw/zinc/12/66/58/1073126658.db2.gz QUDVCSXRENJHOO-HXUWFJFHSA-N 0 3 386.515 3.729 20 10 GHCDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCCO1 ZINC001472756667 1073652830 /nfs/dbraw/zinc/65/28/30/1073652830.db2.gz UYZRXOBIUGOTCU-QGZVFWFLSA-N 0 3 397.475 3.739 20 10 GHCDHN CN(CCn1cccn1)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001474316034 1074337602 /nfs/dbraw/zinc/33/76/02/1074337602.db2.gz GFLQCLRDWKZYCD-UHFFFAOYSA-N 0 3 377.330 3.768 20 10 GHCDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001474522171 1074448038 /nfs/dbraw/zinc/44/80/38/1074448038.db2.gz OJQYLVNPPJYQGO-YOEHRIQHSA-N 0 3 376.447 3.541 20 10 GHCDHN CCCCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177027202 835498294 /nfs/dbraw/zinc/49/82/94/835498294.db2.gz MLNARTZMCRXSJX-UHFFFAOYSA-N 0 3 380.916 3.767 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)C1CCCC1 ZINC000378530808 839276759 /nfs/dbraw/zinc/27/67/59/839276759.db2.gz GBZWEDKFGWUEPR-HNNXBMFYSA-N 0 3 386.471 3.763 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)C1CCCC1 ZINC000378530808 839276770 /nfs/dbraw/zinc/27/67/70/839276770.db2.gz GBZWEDKFGWUEPR-HNNXBMFYSA-N 0 3 386.471 3.763 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(O)ccc2C(F)(F)F)N(C)C)cc1 ZINC000891249719 839328396 /nfs/dbraw/zinc/32/83/96/839328396.db2.gz VWKKUSFDHUESQG-SFHVURJKSA-N 0 3 395.425 3.510 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCCO1 ZINC000759848285 840162936 /nfs/dbraw/zinc/16/29/36/840162936.db2.gz AMIAEZZWTGLAEK-UZLBHIALSA-N 0 3 379.859 3.899 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCCO1 ZINC000759848285 840162941 /nfs/dbraw/zinc/16/29/41/840162941.db2.gz AMIAEZZWTGLAEK-UZLBHIALSA-N 0 3 379.859 3.899 20 10 GHCDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000162537050 841329122 /nfs/dbraw/zinc/32/91/22/841329122.db2.gz NKLQEOQXGRQPDO-NRFANRHFSA-N 0 3 380.488 3.632 20 10 GHCDHN CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000161539533 849098694 /nfs/dbraw/zinc/09/86/94/849098694.db2.gz GHVYJDHDUVLKBY-HRAATJIYSA-N 0 3 389.565 3.805 20 10 GHCDHN COc1ccnc(N2CC[NH+](Cc3c4c(ccc3[O-])oc3c4CCCC3)CC2)c1 ZINC000729468924 852098504 /nfs/dbraw/zinc/09/85/04/852098504.db2.gz ZKYMVBCQJIRVMU-UHFFFAOYSA-N 0 3 393.487 3.743 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1cc(F)ccc1[O-] ZINC000760034880 855236107 /nfs/dbraw/zinc/23/61/07/855236107.db2.gz NTPKOKOTHGGMIV-OLZOCXBDSA-N 0 3 382.273 3.796 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c([O-])c1 ZINC000760042113 855823455 /nfs/dbraw/zinc/82/34/55/855823455.db2.gz SPSNJWGKHQDUOW-HOCLYGCPSA-N 0 3 378.310 3.965 20 10 GHCDHN c1cc(CNCc2ccc(N3CCCCC3)cc2)cc(OC2CCOCC2)n1 ZINC000733329927 862871109 /nfs/dbraw/zinc/87/11/09/862871109.db2.gz GMXWECDRFCPTQS-UHFFFAOYSA-N 0 3 381.520 3.920 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCCO1 ZINC000158051816 858153213 /nfs/dbraw/zinc/15/32/13/858153213.db2.gz XXWFKXPJZLOKGO-IBGZPJMESA-N 0 3 379.460 3.666 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCCO1 ZINC000158051816 858153215 /nfs/dbraw/zinc/15/32/15/858153215.db2.gz XXWFKXPJZLOKGO-IBGZPJMESA-N 0 3 379.460 3.666 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccccc3)N(C)C)ccc21 ZINC000482376952 863010882 /nfs/dbraw/zinc/01/08/82/863010882.db2.gz ABUQELBLQYTNJH-HSZRJFAPSA-N 0 3 393.531 3.937 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000761206313 859123210 /nfs/dbraw/zinc/12/32/10/859123210.db2.gz VXDCPSIVZDRAKS-STQMWFEESA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000761206313 859123216 /nfs/dbraw/zinc/12/32/16/859123216.db2.gz VXDCPSIVZDRAKS-STQMWFEESA-N 0 3 384.904 3.789 20 10 GHCDHN Cc1ccc(C2=NO[C@H](CNCc3ccc(N4CCC(O)CC4)cc3)C2)cc1C ZINC000895500549 859601108 /nfs/dbraw/zinc/60/11/08/859601108.db2.gz ASKDGDZTFXDTGG-QHCPKHFHSA-N 0 3 393.531 3.547 20 10 GHCDHN CCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000765050506 859751795 /nfs/dbraw/zinc/75/17/95/859751795.db2.gz YPISCNPFOIZPPH-INIZCTEOSA-N 0 3 385.483 3.862 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCSc4c(F)cccc43)cc2)C1 ZINC000765256685 859873855 /nfs/dbraw/zinc/87/38/55/859873855.db2.gz VUNXGMVFOJNORV-JXFKEZNVSA-N 0 3 399.535 3.854 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3sccc3OC)cc2F)CC1 ZINC000186157690 860529289 /nfs/dbraw/zinc/52/92/89/860529289.db2.gz QMYFJCGSOCISLL-OAHLLOKOSA-N 0 3 377.529 3.889 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(OC(F)F)c3)c2)CC1 ZINC000184277942 864310678 /nfs/dbraw/zinc/31/06/78/864310678.db2.gz IBTILNQKVWYMHG-UHFFFAOYSA-N 0 3 375.419 3.682 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N(C)C)cc1 ZINC000734653419 864370237 /nfs/dbraw/zinc/37/02/37/864370237.db2.gz GDKAGMXKMRDRTA-JOCHJYFZSA-N 0 3 382.552 3.726 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1cc3ccccc3s1)cc2=O ZINC000184355692 864382413 /nfs/dbraw/zinc/38/24/13/864382413.db2.gz ZVPQMLWVYMBTSB-GFCCVEGCSA-N 0 3 396.472 3.677 20 10 GHCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@H]1C ZINC000792979223 881835731 /nfs/dbraw/zinc/83/57/31/881835731.db2.gz HAJJDQGUUJJKGL-LNMJFAINSA-N 0 3 394.943 3.577 20 10 GHCDHN CN(C)c1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[n-]2)c(C(F)(F)F)c1 ZINC000793044975 881892269 /nfs/dbraw/zinc/89/22/69/881892269.db2.gz JKXVBRZVIYISCW-UHFFFAOYSA-N 0 3 375.398 3.846 20 10 GHCDHN COc1cc(N2CCN(c3ccnc4ccc(C)cc43)CC2)cc(OC)c1OC ZINC000302211300 865768818 /nfs/dbraw/zinc/76/88/18/865768818.db2.gz GRIUDOJQRFIIDP-UHFFFAOYSA-N 0 3 393.487 3.896 20 10 GHCDHN CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000766242777 865833195 /nfs/dbraw/zinc/83/31/95/865833195.db2.gz KDDVNZBVTLFAFN-UHFFFAOYSA-N 0 3 388.533 3.587 20 10 GHCDHN CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000766242777 865833208 /nfs/dbraw/zinc/83/32/08/865833208.db2.gz KDDVNZBVTLFAFN-UHFFFAOYSA-N 0 3 388.533 3.587 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000743870138 868466929 /nfs/dbraw/zinc/46/69/29/868466929.db2.gz IPWIKXYBBQXMIF-IRXDYDNUSA-N 0 3 398.503 3.641 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000743870138 868466934 /nfs/dbraw/zinc/46/69/34/868466934.db2.gz IPWIKXYBBQXMIF-IRXDYDNUSA-N 0 3 398.503 3.641 20 10 GHCDHN CC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccccc1[O-] ZINC000793558148 882264421 /nfs/dbraw/zinc/26/44/21/882264421.db2.gz CSGDRKSVKBNZIQ-CVDCTZTESA-N 0 3 393.487 3.858 20 10 GHCDHN Cc1cc(C)c(C(=O)NC2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)o1 ZINC000857826631 882570294 /nfs/dbraw/zinc/57/02/94/882570294.db2.gz VNYOATYSZNXJCG-WAYWQWQTSA-N 0 3 381.520 3.870 20 10 GHCDHN COCCN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C1CCN(C)CC1 ZINC001195265737 872292466 /nfs/dbraw/zinc/29/24/66/872292466.db2.gz KOWKVSFXDBZORT-WCWDXBQESA-N 0 3 396.491 3.990 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)[C@H](O)CO2 ZINC000767508679 872580705 /nfs/dbraw/zinc/58/07/05/872580705.db2.gz VLAOKGLYBKJDPG-SCLBCKFNSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)[C@H](O)CO2 ZINC000767508679 872580714 /nfs/dbraw/zinc/58/07/14/872580714.db2.gz VLAOKGLYBKJDPG-SCLBCKFNSA-N 0 3 379.378 3.826 20 10 GHCDHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(-c4ccccc4)ccc3[O-])C2)n(C)n1 ZINC000767737506 872798102 /nfs/dbraw/zinc/79/81/02/872798102.db2.gz CMYXXUKOTCWGKO-OAQYLSRUSA-N 0 3 376.504 3.860 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nc4ccccc4s3)C1)[C@@H](O)CO2 ZINC000768438187 873302098 /nfs/dbraw/zinc/30/20/98/873302098.db2.gz PAVFVKBRSSRXHL-UGSOOPFHSA-N 0 3 382.485 3.807 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3nc4ccccc4s3)C1)[C@@H](O)CO2 ZINC000768438187 873302116 /nfs/dbraw/zinc/30/21/16/873302116.db2.gz PAVFVKBRSSRXHL-UGSOOPFHSA-N 0 3 382.485 3.807 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nc4c(s3)CCCC4)C1)[C@H](O)CO2 ZINC000768463402 873330724 /nfs/dbraw/zinc/33/07/24/873330724.db2.gz SMPZRMWWNXFOLX-FZKQIMNGSA-N 0 3 386.517 3.533 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc4c(s3)CCCC4)C1)[C@H](O)CO2 ZINC000768463402 873330742 /nfs/dbraw/zinc/33/07/42/873330742.db2.gz SMPZRMWWNXFOLX-FZKQIMNGSA-N 0 3 386.517 3.533 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000769420898 874035740 /nfs/dbraw/zinc/03/57/40/874035740.db2.gz SZMQFWPJXILHAT-AWEZNQCLSA-N 0 3 383.410 3.751 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835057 874325165 /nfs/dbraw/zinc/32/51/65/874325165.db2.gz DPGQHGDAYXSTFR-MRXNPFEDSA-N 0 3 391.519 3.844 20 10 GHCDHN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000775837827 874334650 /nfs/dbraw/zinc/33/46/50/874334650.db2.gz UNUAGZGXYIQCKK-QMHKHESXSA-N 0 3 381.520 3.679 20 10 GHCDHN COCCc1nc(C)c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000771374059 875219864 /nfs/dbraw/zinc/21/98/64/875219864.db2.gz HOPDNNWKGQXPEF-CVEARBPZSA-N 0 3 389.565 3.889 20 10 GHCDHN Cc1cc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)sn1 ZINC001201749876 875841049 /nfs/dbraw/zinc/84/10/49/875841049.db2.gz BTKXRNYPZZFOTB-SFHVURJKSA-N 0 3 390.553 3.873 20 10 GHCDHN CCOC(=O)c1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000776223132 875917004 /nfs/dbraw/zinc/91/70/04/875917004.db2.gz QWRVYOLHGOHWIJ-CQSZACIVSA-N 0 3 394.418 3.816 20 10 GHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(Br)cn3)C2)cc1 ZINC000850486217 876959570 /nfs/dbraw/zinc/95/95/70/876959570.db2.gz AXTHVJDUHGGBKC-UKRRQHHQSA-N 0 3 376.298 3.782 20 10 GHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(-n4cncn4)cc3Cl)C2)cc1 ZINC000850489427 876966452 /nfs/dbraw/zinc/96/64/52/876966452.db2.gz UEFFXQYSLZRRIE-JKSUJKDBSA-N 0 3 397.910 3.859 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850557412 877024401 /nfs/dbraw/zinc/02/44/01/877024401.db2.gz NWFHOVVQRNCQFD-STQMWFEESA-N 0 3 383.330 3.761 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cncc(Br)c1 ZINC000850569156 877037095 /nfs/dbraw/zinc/03/70/95/877037095.db2.gz VVTBFRRFLANDHR-AWEZNQCLSA-N 0 3 390.325 3.656 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000850759075 877144656 /nfs/dbraw/zinc/14/46/56/877144656.db2.gz GFRNKLBWQBZGMU-QFIPXVFZSA-N 0 3 396.535 3.858 20 10 GHCDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000093365023 912222333 /nfs/dbraw/zinc/22/23/33/912222333.db2.gz YWDZTPSUBOHFHU-IBGZPJMESA-N 0 3 375.513 3.937 20 10 GHCDHN CN1CCCc2cc(CNC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)ccc21 ZINC000746724473 877766945 /nfs/dbraw/zinc/76/69/45/877766945.db2.gz JBZRFFPFDATIMM-QFIPXVFZSA-N 0 3 392.547 3.533 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c1[O-] ZINC001183146617 912303315 /nfs/dbraw/zinc/30/33/15/912303315.db2.gz YEDMKQLCUXMLNY-SFHVURJKSA-N 0 3 382.273 3.686 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000788519357 878126552 /nfs/dbraw/zinc/12/65/52/878126552.db2.gz QCCQOCUQCCNAHV-MRXNPFEDSA-N 0 3 386.883 3.783 20 10 GHCDHN CN(C(=O)c1ccc(NCc2c(O)cccc2Cl)cc1)[C@@H]1CCCN(C)C1 ZINC000789888895 879315816 /nfs/dbraw/zinc/31/58/16/879315816.db2.gz DJLUPQCVDKBJTN-QGZVFWFLSA-N 0 3 387.911 3.824 20 10 GHCDHN CN(C)c1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1 ZINC000789888809 879316018 /nfs/dbraw/zinc/31/60/18/879316018.db2.gz CICJAZUQPYPNGJ-QFIPXVFZSA-N 0 3 380.536 3.531 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(O)c4ccccc4c3)c2)CC1 ZINC000792336432 881067870 /nfs/dbraw/zinc/06/78/70/881067870.db2.gz VIOKVCPVOKYQLH-UHFFFAOYSA-N 0 3 375.472 3.940 20 10 GHCDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795783770 912817178 /nfs/dbraw/zinc/81/71/78/912817178.db2.gz XAURAKZUTNILAM-SFHVURJKSA-N 0 3 395.956 3.555 20 10 GHCDHN CCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1[O-] ZINC000117338003 884505293 /nfs/dbraw/zinc/50/52/93/884505293.db2.gz KMVVVMGJSCNVOT-UHFFFAOYSA-N 0 3 385.420 3.511 20 10 GHCDHN CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1[O-] ZINC000117338003 884505319 /nfs/dbraw/zinc/50/53/19/884505319.db2.gz KMVVVMGJSCNVOT-UHFFFAOYSA-N 0 3 385.420 3.511 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000808718874 886702290 /nfs/dbraw/zinc/70/22/90/886702290.db2.gz XOHSLQGYMREZGJ-WBVHZDCISA-N 0 3 388.895 3.685 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758097 887801489 /nfs/dbraw/zinc/80/14/89/887801489.db2.gz CJPKMTWPHDJBLZ-KGLIPLIRSA-N 0 3 384.314 3.802 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758097 887801495 /nfs/dbraw/zinc/80/14/95/887801495.db2.gz CJPKMTWPHDJBLZ-KGLIPLIRSA-N 0 3 384.314 3.802 20 10 GHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794802795 888097337 /nfs/dbraw/zinc/09/73/37/888097337.db2.gz OUPOGCBVVXATAX-AEFFLSMTSA-N 0 3 377.868 3.900 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)CC1 ZINC000123202152 890428077 /nfs/dbraw/zinc/42/80/77/890428077.db2.gz NJSRSHUAEMOLNV-UHFFFAOYSA-N 0 3 386.427 3.517 20 10 GHCDHN CCOc1cccc(CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC000812761462 890909595 /nfs/dbraw/zinc/90/95/95/890909595.db2.gz KEXYBHRPIXNKBV-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc([C@H](NCc2ccc(OC)c(Cn3cccn3)c2)C2CC2)cn1 ZINC000873146965 891485273 /nfs/dbraw/zinc/48/52/73/891485273.db2.gz QBZULTLFAFDIPE-JOCHJYFZSA-N 0 3 378.476 3.585 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000154325710 891618827 /nfs/dbraw/zinc/61/88/27/891618827.db2.gz OHMCUZJZNFFSEP-RTWAWAEBSA-N 0 3 390.911 3.606 20 10 GHCDHN O=C(CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000917400588 891901122 /nfs/dbraw/zinc/90/11/22/891901122.db2.gz SADWLGWKHUZRKX-UHFFFAOYSA-N 0 3 388.512 3.514 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000917490380 892080263 /nfs/dbraw/zinc/08/02/63/892080263.db2.gz JPPDJEPZXXRVRD-UHFFFAOYSA-N 0 3 386.492 3.997 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000917490380 892080283 /nfs/dbraw/zinc/08/02/83/892080283.db2.gz JPPDJEPZXXRVRD-UHFFFAOYSA-N 0 3 386.492 3.997 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000918022459 892987911 /nfs/dbraw/zinc/98/79/11/892987911.db2.gz UODRPJBCPYSIBP-JOCHJYFZSA-N 0 3 383.511 3.557 20 10 GHCDHN Cc1sccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000815117224 893450075 /nfs/dbraw/zinc/45/00/75/893450075.db2.gz BBJHYSUBIFZBTD-UHFFFAOYSA-N 0 3 397.523 3.602 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C2(Cc3ccccc3F)CC2)N(C)C)cc1 ZINC001134881742 893470235 /nfs/dbraw/zinc/47/02/35/893470235.db2.gz GGQFOESNJUOSEA-NRFANRHFSA-N 0 3 383.511 3.634 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Br)cs2)N(C)C)cc1 ZINC001134882990 893505999 /nfs/dbraw/zinc/50/59/99/893505999.db2.gz WOCZYISMTRINJR-HNNXBMFYSA-N 0 3 396.354 3.609 20 10 GHCDHN Cn1nccc1-c1ccccc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000816480978 894850188 /nfs/dbraw/zinc/85/01/88/894850188.db2.gz DDTPYVVDJUZAIV-HXUWFJFHSA-N 0 3 377.488 3.974 20 10 GHCDHN Cn1nccc1-c1ccccc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000816480978 894850209 /nfs/dbraw/zinc/85/02/09/894850209.db2.gz DDTPYVVDJUZAIV-HXUWFJFHSA-N 0 3 377.488 3.974 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1[O-] ZINC000816625922 894956164 /nfs/dbraw/zinc/95/61/64/894956164.db2.gz QCYAAVVKONBJOK-GFCCVEGCSA-N 0 3 376.840 3.862 20 10 GHCDHN OCC1([C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)CCC1 ZINC000816631445 894958976 /nfs/dbraw/zinc/95/89/76/894958976.db2.gz RTHBHPFDSMLDJR-JOCHJYFZSA-N 0 3 384.495 3.656 20 10 GHCDHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651272 895202659 /nfs/dbraw/zinc/20/26/59/895202659.db2.gz PQOUWISCUINLEH-HNNXBMFYSA-N 0 3 378.476 3.792 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC001137178037 896823761 /nfs/dbraw/zinc/82/37/61/896823761.db2.gz OWAYYEFYXNBUES-UHFFFAOYSA-N 0 3 377.488 3.582 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000883290067 897454861 /nfs/dbraw/zinc/45/48/61/897454861.db2.gz JULQLFUYQPVQOD-XMMPIXPASA-N 0 3 390.506 3.852 20 10 GHCDHN CN(C)S(=O)(=O)c1ccc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000822621592 898507385 /nfs/dbraw/zinc/50/73/85/898507385.db2.gz MDXMDCUDEMYACQ-UHFFFAOYSA-N 0 3 394.562 3.649 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000822654872 898534650 /nfs/dbraw/zinc/53/46/50/898534650.db2.gz SMGMOXVDORECDK-QFIPXVFZSA-N 0 3 392.540 3.756 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000822654872 898534668 /nfs/dbraw/zinc/53/46/68/898534668.db2.gz SMGMOXVDORECDK-QFIPXVFZSA-N 0 3 392.540 3.756 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822653761 898535110 /nfs/dbraw/zinc/53/51/10/898535110.db2.gz AITPZIDZLBNCGF-FQEVSTJZSA-N 0 3 392.540 3.612 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822653761 898535124 /nfs/dbraw/zinc/53/51/24/898535124.db2.gz AITPZIDZLBNCGF-FQEVSTJZSA-N 0 3 392.540 3.612 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc4c(c3)OCCO4)cc2F)CC1 ZINC000155288359 898563356 /nfs/dbraw/zinc/56/33/56/898563356.db2.gz CHNPHJHYJIPPAK-KRWDZBQOSA-N 0 3 399.510 3.590 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824952542 899903592 /nfs/dbraw/zinc/90/35/92/899903592.db2.gz CSFRORKFXFHESW-IAGOWNOFSA-N 0 3 377.282 3.868 20 10 GHCDHN CCc1oc2ccccc2c1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325886 900935772 /nfs/dbraw/zinc/93/57/72/900935772.db2.gz ULXXORKFVLBZRC-UHFFFAOYSA-N 0 3 391.515 3.987 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000886747574 901252344 /nfs/dbraw/zinc/25/23/44/901252344.db2.gz YKPQODWWGARVPC-CYBMUJFWSA-N 0 3 391.437 3.656 20 10 GHCDHN Cc1ccc([C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C2CCC2)o1 ZINC000886749616 901253689 /nfs/dbraw/zinc/25/36/89/901253689.db2.gz XTMGZKYNBGVXIU-JOCHJYFZSA-N 0 3 381.520 3.921 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1nccc2ccccc21 ZINC000886748972 901253929 /nfs/dbraw/zinc/25/39/29/901253929.db2.gz FKMNXVNYCUJSKX-KRWDZBQOSA-N 0 3 388.515 3.787 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000886749191 901254137 /nfs/dbraw/zinc/25/41/37/901254137.db2.gz LUTSRPCPKDDKRO-LIRRHRJNSA-N 0 3 397.494 3.571 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3cnnn3-c3ccccc3)C2)cc1 ZINC000845944939 902547919 /nfs/dbraw/zinc/54/79/19/902547919.db2.gz VYNAICRSRBKCKI-INIZCTEOSA-N 0 3 399.445 3.627 20 10 GHCDHN Cc1cc(O)c(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1C ZINC000775038625 914679028 /nfs/dbraw/zinc/67/90/28/914679028.db2.gz XXYQCVKSGCRGDX-UHFFFAOYSA-N 0 3 387.423 3.721 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000779039075 903387750 /nfs/dbraw/zinc/38/77/50/903387750.db2.gz PIOZCSRRSMAUEX-YJYMSZOUSA-N 0 3 376.294 3.948 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])[C@@]12CCCO2 ZINC000779050474 903543762 /nfs/dbraw/zinc/54/37/62/903543762.db2.gz PUKADLWACQEOGE-PTOXDTDZSA-N 0 3 384.314 3.840 20 10 GHCDHN C[C@@H](NCCOc1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1Cl ZINC000773058414 904403394 /nfs/dbraw/zinc/40/33/94/904403394.db2.gz HDEWPHNSTHIPEN-CQSZACIVSA-N 0 3 396.318 3.955 20 10 GHCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000779195994 905309512 /nfs/dbraw/zinc/30/95/12/905309512.db2.gz MQTGTHSUKSXUBY-INIZCTEOSA-N 0 3 378.394 3.560 20 10 GHCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000779195994 905309528 /nfs/dbraw/zinc/30/95/28/905309528.db2.gz MQTGTHSUKSXUBY-INIZCTEOSA-N 0 3 378.394 3.560 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000801601764 921180865 /nfs/dbraw/zinc/18/08/65/921180865.db2.gz NRJPEVDMNYRWQB-UADZTWIMSA-N 0 3 377.532 3.779 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000801599279 921176765 /nfs/dbraw/zinc/17/67/65/921176765.db2.gz ITWZCNFNKVDKPK-MRXNPFEDSA-N 0 3 384.476 3.793 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000801599279 921176771 /nfs/dbraw/zinc/17/67/71/921176771.db2.gz ITWZCNFNKVDKPK-MRXNPFEDSA-N 0 3 384.476 3.793 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000801599279 921176775 /nfs/dbraw/zinc/17/67/75/921176775.db2.gz ITWZCNFNKVDKPK-MRXNPFEDSA-N 0 3 384.476 3.793 20 10 GHCDHN CC(C)c1ccc(CN2CCN(C(=O)C[NH2+][C@@H](C)c3ccccc3[O-])CC2)cc1 ZINC001175418671 907541801 /nfs/dbraw/zinc/54/18/01/907541801.db2.gz NORCBLFBXKPTAF-IBGZPJMESA-N 0 3 395.547 3.511 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1[O-] ZINC000186458626 907928222 /nfs/dbraw/zinc/92/82/22/907928222.db2.gz UCBLXIABSVVHBQ-UHFFFAOYSA-N 0 3 391.309 3.778 20 10 GHCDHN CN1CCCc2cc(CNCc3cnc4ccc(Br)cn34)ccc21 ZINC001177529693 908620932 /nfs/dbraw/zinc/62/09/32/908620932.db2.gz TYXDMHVKZQOQIR-UHFFFAOYSA-N 0 3 385.309 3.769 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271476447 910918822 /nfs/dbraw/zinc/91/88/22/910918822.db2.gz IZGDUWFCDUIGNI-KSRHRBNTSA-N 0 3 390.524 3.812 20 10 GHCDHN COc1ccccc1OCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000091899749 911327882 /nfs/dbraw/zinc/32/78/82/911327882.db2.gz LOCWTTAPGNRWSW-UHFFFAOYSA-N 0 3 396.281 3.683 20 10 GHCDHN COc1ccccc1OCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000091899749 911327906 /nfs/dbraw/zinc/32/79/06/911327906.db2.gz LOCWTTAPGNRWSW-UHFFFAOYSA-N 0 3 396.281 3.683 20 10 GHCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000284160931 911774952 /nfs/dbraw/zinc/77/49/52/911774952.db2.gz WIGZTZRWRUNXNW-HNNXBMFYSA-N 0 3 377.506 3.825 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(N(C)C)cc1 ZINC000774480702 911785807 /nfs/dbraw/zinc/78/58/07/911785807.db2.gz CGBIUSQPHLFIKI-SJORKVTESA-N 0 3 394.519 3.557 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC001182835054 912073061 /nfs/dbraw/zinc/07/30/61/912073061.db2.gz MFPOFAQEFJNDJV-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC001182835054 912073092 /nfs/dbraw/zinc/07/30/92/912073092.db2.gz MFPOFAQEFJNDJV-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN CCc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775260917 916704872 /nfs/dbraw/zinc/70/48/72/916704872.db2.gz RIQVRMUDWQZLJA-MOPGFXCFSA-N 0 3 395.547 3.614 20 10 GHCDHN CCc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775260921 916705106 /nfs/dbraw/zinc/70/51/06/916705106.db2.gz RIQVRMUDWQZLJA-RBUKOAKNSA-N 0 3 395.547 3.614 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccsc3Br)cc2)CC1 ZINC000800889373 920570775 /nfs/dbraw/zinc/57/07/75/920570775.db2.gz TULKNFHBPNEYOX-UHFFFAOYSA-N 0 3 380.355 3.552 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1[O-] ZINC000802658506 922316572 /nfs/dbraw/zinc/31/65/72/922316572.db2.gz GKKYIQVTEZZRCZ-CQSZACIVSA-N 0 3 386.673 3.640 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)c1[O-] ZINC000903368818 922965527 /nfs/dbraw/zinc/96/55/27/922965527.db2.gz URPLYWBTXRDMMM-NVGCLXPQSA-N 0 3 382.298 3.773 20 10 GHCDHN C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000903381884 922979192 /nfs/dbraw/zinc/97/91/92/922979192.db2.gz ZJWLDTPIZFYXEI-DYVFJYSZSA-N 0 3 378.314 3.893 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)N[C@H](C)C(C)C)CC3)c2c1 ZINC000725786451 926437053 /nfs/dbraw/zinc/43/70/53/926437053.db2.gz INPYARIDQIABCX-MRXNPFEDSA-N 0 3 384.520 3.927 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000758306178 930006340 /nfs/dbraw/zinc/00/63/40/930006340.db2.gz BYIZHHXJYZPALC-CQSZACIVSA-N 0 3 397.466 3.758 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C2CC2)cc1 ZINC000759659226 930442670 /nfs/dbraw/zinc/44/26/70/930442670.db2.gz NDPJSKXJXBBAGP-PKTZIBPZSA-N 0 3 392.547 3.872 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c([O-])c1 ZINC000690671649 930608231 /nfs/dbraw/zinc/60/82/31/930608231.db2.gz OOKDQAVAAWBBEY-CVEARBPZSA-N 0 3 376.497 3.520 20 10 GHCDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000783506876 931567386 /nfs/dbraw/zinc/56/73/86/931567386.db2.gz YGVQYJXQQUXVHY-GFCCVEGCSA-N 0 3 390.505 3.754 20 10 GHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000777552111 931718743 /nfs/dbraw/zinc/71/87/43/931718743.db2.gz NJLCODCMEXHGSF-UHFFFAOYSA-N 0 3 391.899 3.882 20 10 GHCDHN COC(=O)c1csc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000796696209 932033177 /nfs/dbraw/zinc/03/31/77/932033177.db2.gz SAONDDALFVGVTQ-CQSZACIVSA-N 0 3 376.547 3.939 20 10 GHCDHN C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000797113463 932187486 /nfs/dbraw/zinc/18/74/86/932187486.db2.gz NCDPPAAGRKTDPD-QFBILLFUSA-N 0 3 385.474 3.591 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)s1 ZINC000797138991 932198700 /nfs/dbraw/zinc/19/87/00/932198700.db2.gz CFJUKAOHVCGYTB-HNCHTBHHSA-N 0 3 392.500 3.746 20 10 GHCDHN C[C@H]([NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cc(F)ccc1[O-] ZINC000926993184 932373397 /nfs/dbraw/zinc/37/33/97/932373397.db2.gz CNVWNDFXUFCDHD-DJEGFJQDSA-N 0 3 379.472 3.851 20 10 GHCDHN COc1ccccc1C1(F)CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000797824033 932418187 /nfs/dbraw/zinc/41/81/87/932418187.db2.gz WOGZEOQWOSIBLY-UHFFFAOYSA-N 0 3 375.440 3.879 20 10 GHCDHN CCOCc1cc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)ccc1OC ZINC000798504774 932679076 /nfs/dbraw/zinc/67/90/76/932679076.db2.gz DMFKZINQQYQYOC-UTKZUKDTSA-N 0 3 382.504 3.511 20 10 GHCDHN COC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cccc(Cl)c1 ZINC001117597480 933961421 /nfs/dbraw/zinc/96/14/21/933961421.db2.gz JYWJVLHYCWSZSK-HXUWFJFHSA-N 0 3 391.918 3.708 20 10 GHCDHN CC[C@H](C)n1ncc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000931073139 934361284 /nfs/dbraw/zinc/36/12/84/934361284.db2.gz OHAAETRLQAUAFQ-YWZLYKJASA-N 0 3 386.544 3.653 20 10 GHCDHN CC[C@@H](C)n1ncc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000931073137 934361499 /nfs/dbraw/zinc/36/14/99/934361499.db2.gz OHAAETRLQAUAFQ-QRWLVFNGSA-N 0 3 386.544 3.653 20 10 GHCDHN Cc1cc(CN2CCC[C@@H](NC(=O)C3CCOCC3)C2)c(C)n1-c1ccccc1 ZINC001137859449 935829879 /nfs/dbraw/zinc/82/98/79/935829879.db2.gz ZBPXQEMSJHOIGQ-JOCHJYFZSA-N 0 3 395.547 3.601 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3N)c2)CC1 ZINC001154872219 1032321468 /nfs/dbraw/zinc/32/14/68/1032321468.db2.gz OTLJQMFMRQKVFX-UHFFFAOYSA-N 0 3 392.425 3.682 20 10 GHCDHN Cc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c(O)cc1Br ZINC001277191182 1032331852 /nfs/dbraw/zinc/33/18/52/1032331852.db2.gz HGCLXMXFZQIGCX-IAGOWNOFSA-N 0 3 395.341 3.684 20 10 GHCDHN Cc1ccc(C(C)(C)CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001221789866 1032535023 /nfs/dbraw/zinc/53/50/23/1032535023.db2.gz JCTSACCLLNJXAQ-JOCHJYFZSA-N 0 3 396.579 3.941 20 10 GHCDHN CCOc1cccc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1O ZINC000778112061 1018597200 /nfs/dbraw/zinc/59/72/00/1018597200.db2.gz BHLJUZFCNKYFEL-MRXNPFEDSA-N 0 3 395.286 3.993 20 10 GHCDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194499734 1020967234 /nfs/dbraw/zinc/96/72/34/1020967234.db2.gz HIXSETANXODKLT-UHFFFAOYSA-N 0 3 398.526 3.699 20 10 GHCDHN C[C@H]([NH2+]CCOc1ccc(I)cc1)c1ccccc1[O-] ZINC000800984274 1021353016 /nfs/dbraw/zinc/35/30/16/1021353016.db2.gz OMDMOCKZDIOBEH-LBPRGKRZSA-N 0 3 383.229 3.726 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000834685084 1021367692 /nfs/dbraw/zinc/36/76/92/1021367692.db2.gz HGYHKSGVEGWPJG-WMLDXEAASA-N 0 3 381.394 3.719 20 10 GHCDHN C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000834827995 1021524139 /nfs/dbraw/zinc/52/41/39/1021524139.db2.gz NTGBZXNRXJRFBW-DNVCBOLYSA-N 0 3 392.902 3.570 20 10 GHCDHN COC(=O)C[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000754542325 1022760307 /nfs/dbraw/zinc/76/03/07/1022760307.db2.gz URKIOWOMHFCKFM-IBGZPJMESA-N 0 3 380.448 3.972 20 10 GHCDHN Cc1nc(COC[C@@H]2Cn3nccc3CN(Cc3ccc(C)cc3O)C2)cs1 ZINC001140950150 1022971637 /nfs/dbraw/zinc/97/16/37/1022971637.db2.gz OZNIJDFDEKXJDW-KRWDZBQOSA-N 0 3 398.532 3.511 20 10 GHCDHN Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccc(C)cc2[O-])CC3)cs1 ZINC001140950341 1022972638 /nfs/dbraw/zinc/97/26/38/1022972638.db2.gz YZRDHPFVJICHQI-IBGZPJMESA-N 0 3 388.533 3.806 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c([O-])c1 ZINC001140952495 1022981765 /nfs/dbraw/zinc/98/17/65/1022981765.db2.gz UQBOPLSCVBDFGS-UHFFFAOYSA-N 0 3 384.495 3.707 20 10 GHCDHN COc1cc(O)c(CN2CCC(NC(=O)Nc3cccc(C)c3)CC2)c(OC)c1 ZINC001141032528 1023300668 /nfs/dbraw/zinc/30/06/68/1023300668.db2.gz FBZPEULXAFCEDL-UHFFFAOYSA-N 0 3 399.491 3.504 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CN2Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075000 1023434903 /nfs/dbraw/zinc/43/49/03/1023434903.db2.gz HGOSPHJSIKTWBP-RTWAWAEBSA-N 0 3 397.563 3.827 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2ccco2)cc1F ZINC000756020778 1023479764 /nfs/dbraw/zinc/47/97/64/1023479764.db2.gz YABJBBWAAWQVTR-UHFFFAOYSA-N 0 3 390.503 3.538 20 10 GHCDHN C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000756071693 1023508948 /nfs/dbraw/zinc/50/89/48/1023508948.db2.gz OECHIHFUNBSCDC-GJZGRUSLSA-N 0 3 397.947 3.740 20 10 GHCDHN Cc1ccc([C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CCC2)o1 ZINC000756443782 1023653351 /nfs/dbraw/zinc/65/33/51/1023653351.db2.gz UZORDBPTQCXQFZ-SIKLNZKXSA-N 0 3 381.520 3.921 20 10 GHCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3C[C@H](C)c4c3c([O-])ccc4F)C2)c1 ZINC000756639028 1023748680 /nfs/dbraw/zinc/74/86/80/1023748680.db2.gz UZZFFOZHWOCAIU-NJSLBKSFSA-N 0 3 386.467 3.965 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)c2c1c(F)ccc2[O-] ZINC000756736055 1023793030 /nfs/dbraw/zinc/79/30/30/1023793030.db2.gz KYZYIEPHASIJDA-ATZDWAIDSA-N 0 3 382.479 3.903 20 10 GHCDHN Oc1c(CN2CCN(c3ccc(F)c(F)c3)CC2)cc2c3c1CCCN3CCC2 ZINC001138338920 1024700770 /nfs/dbraw/zinc/70/07/70/1024700770.db2.gz VUSAJLHZZDOXIV-UHFFFAOYSA-N 0 3 399.485 3.691 20 10 GHCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000832280175 1025403062 /nfs/dbraw/zinc/40/30/62/1025403062.db2.gz NQGKURYUCOXUDW-QFIPXVFZSA-N 0 3 389.499 3.685 20 10 GHCDHN Fc1cc(CNCc2ccc(OCC3CC3)cc2)cc(F)c1N1CCOCC1 ZINC000839146163 1025643841 /nfs/dbraw/zinc/64/38/41/1025643841.db2.gz YETRKVKVUKQWBI-UHFFFAOYSA-N 0 3 388.458 3.880 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001139129395 1025941920 /nfs/dbraw/zinc/94/19/20/1025941920.db2.gz XXSDECLQRFPESJ-UHFFFAOYSA-N 0 3 392.499 3.903 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001139387311 1026252995 /nfs/dbraw/zinc/25/29/95/1026252995.db2.gz BQEPIPOKMHCSCC-OALUTQOASA-N 0 3 382.552 3.783 20 10 GHCDHN COCCC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140055348 1026835401 /nfs/dbraw/zinc/83/54/01/1026835401.db2.gz SJFJJFATPOKBFN-SFHVURJKSA-N 0 3 396.503 3.769 20 10 GHCDHN COCCC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140055348 1026835411 /nfs/dbraw/zinc/83/54/11/1026835411.db2.gz SJFJJFATPOKBFN-SFHVURJKSA-N 0 3 396.503 3.769 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccccc1C(F)(F)F ZINC001140056010 1026835455 /nfs/dbraw/zinc/83/54/55/1026835455.db2.gz DOJSDXQMHSGHJZ-UHFFFAOYSA-N 0 3 396.384 3.945 20 10 GHCDHN CCCCn1nc(C)c(CNCc2ccc(N3CCN(C)CC3)cc2)c1Cl ZINC001203490817 1027378779 /nfs/dbraw/zinc/37/87/79/1027378779.db2.gz CDTAWCVQZNYMKQ-UHFFFAOYSA-N 0 3 389.975 3.687 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccccc4[O-])C3)C2)cc1 ZINC001203551705 1027429664 /nfs/dbraw/zinc/42/96/64/1027429664.db2.gz LDBHOGJUKDRPCL-HSZRJFAPSA-N 0 3 382.504 3.520 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccccc4[O-])C3)C2)cc1 ZINC001203551705 1027429672 /nfs/dbraw/zinc/42/96/72/1027429672.db2.gz LDBHOGJUKDRPCL-HSZRJFAPSA-N 0 3 382.504 3.520 20 10 GHCDHN [O-]c1ccccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001203552905 1027430533 /nfs/dbraw/zinc/43/05/33/1027430533.db2.gz VFMKJBKSALAZHB-IBGZPJMESA-N 0 3 377.410 3.664 20 10 GHCDHN [O-]c1ccccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001203552905 1027430544 /nfs/dbraw/zinc/43/05/44/1027430544.db2.gz VFMKJBKSALAZHB-IBGZPJMESA-N 0 3 377.410 3.664 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)c([O-])c1 ZINC001203623424 1027486438 /nfs/dbraw/zinc/48/64/38/1027486438.db2.gz QCZLETFLOYOWLK-HXUWFJFHSA-N 0 3 389.446 3.534 20 10 GHCDHN COc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)c([O-])c1 ZINC001203623424 1027486446 /nfs/dbraw/zinc/48/64/46/1027486446.db2.gz QCZLETFLOYOWLK-HXUWFJFHSA-N 0 3 389.446 3.534 20 10 GHCDHN COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203634439 1027492303 /nfs/dbraw/zinc/49/23/03/1027492303.db2.gz GBGNXSLVBGFXPR-HXUWFJFHSA-N 0 3 384.520 3.896 20 10 GHCDHN COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203634439 1027492317 /nfs/dbraw/zinc/49/23/17/1027492317.db2.gz GBGNXSLVBGFXPR-HXUWFJFHSA-N 0 3 384.520 3.896 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC001203943868 1027738132 /nfs/dbraw/zinc/73/81/32/1027738132.db2.gz IBAGDVQFZDICLS-UHFFFAOYSA-N 0 3 397.485 3.910 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842929368 1029694108 /nfs/dbraw/zinc/69/41/08/1029694108.db2.gz PJEGZTPGTDJUOM-HIFRSBDPSA-N 0 3 380.410 3.667 20 10 GHCDHN Cc1ccc(-c2nn(C)cc2C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000843390799 1029958535 /nfs/dbraw/zinc/95/85/35/1029958535.db2.gz IUPIENOJKYOZJG-IBGZPJMESA-N 0 3 381.476 3.875 20 10 GHCDHN Cc1ccc(-c2nn(C)cc2C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000843390799 1029958538 /nfs/dbraw/zinc/95/85/38/1029958538.db2.gz IUPIENOJKYOZJG-IBGZPJMESA-N 0 3 381.476 3.875 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(Cl)s2)N(C)C)cc1 ZINC001223391662 1030549443 /nfs/dbraw/zinc/54/94/43/1030549443.db2.gz IOMBTUPCNYRTAC-MRXNPFEDSA-N 0 3 380.945 3.570 20 10 GHCDHN CCC(=O)c1cc(Br)ccc1NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001219548298 1031492367 /nfs/dbraw/zinc/49/23/67/1031492367.db2.gz RCGYJVXFEBUTJO-CQSZACIVSA-N 0 3 391.265 3.776 20 10 GHCDHN COC(=O)c1c(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c2cc(F)ccc2n1C ZINC001205270208 1033334219 /nfs/dbraw/zinc/33/42/19/1033334219.db2.gz UMVIEQAPENXKSG-QZTJIDSGSA-N 0 3 376.472 3.786 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001157436133 1033588881 /nfs/dbraw/zinc/58/88/81/1033588881.db2.gz ZMWNDRKAJGFNBJ-QPPBQGQZSA-N 0 3 396.506 3.774 20 10 GHCDHN CCC(=O)N(c1ccccc1)C1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231634696 1034793574 /nfs/dbraw/zinc/79/35/74/1034793574.db2.gz QZTGAAWHNZNGIA-UHFFFAOYSA-N 0 3 384.476 3.514 20 10 GHCDHN CCOC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2OC)C[C@H]1c1ccccc1 ZINC001231855032 1034944872 /nfs/dbraw/zinc/94/48/72/1034944872.db2.gz PGXADBWQTLVFJQ-VXKWHMMOSA-N 0 3 396.531 3.930 20 10 GHCDHN Cc1cnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])nc1NC(C)C ZINC001160616187 1035016841 /nfs/dbraw/zinc/01/68/41/1035016841.db2.gz FLGNCCRERHZITK-WOJBJXKFSA-N 0 3 393.491 3.870 20 10 GHCDHN COc1cc(I)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC001248391679 1035802282 /nfs/dbraw/zinc/80/22/82/1035802282.db2.gz XFXDOTKYVLEMLA-RYUDHWBXSA-N 0 3 387.261 3.627 20 10 GHCDHN COc1cc(I)cc(CN2CC[C@H]3CCC[C@H]3C2)c1O ZINC001248391310 1035803553 /nfs/dbraw/zinc/80/35/53/1035803553.db2.gz QDWBZOLZWVUMCG-NEPJUHHUSA-N 0 3 387.261 3.627 20 10 GHCDHN C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248882419 1036223055 /nfs/dbraw/zinc/22/30/55/1036223055.db2.gz ISIJKDADBGYSBB-HNNXBMFYSA-N 0 3 390.959 3.733 20 10 GHCDHN COc1cc(C)cc(CN2CCCC[C@@H]2COC(=O)N2CCCCC2)c1O ZINC001462212676 1070086228 /nfs/dbraw/zinc/08/62/28/1070086228.db2.gz VGDDMZQOBZHBNZ-GOSISDBHSA-N 0 3 376.497 3.686 20 10 GHCDHN Cc1cc(Br)cc(CN2CCCN(c3cccnc3)CC2)c1O ZINC001233110662 1038901209 /nfs/dbraw/zinc/90/12/09/1038901209.db2.gz HSXBSLVGYBRYIB-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCN(c3cccnc3)CC2)c1[O-] ZINC001233110662 1038901210 /nfs/dbraw/zinc/90/12/10/1038901210.db2.gz HSXBSLVGYBRYIB-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCCN(c3cccnc3)CC2)c1[O-] ZINC001233110662 1038901211 /nfs/dbraw/zinc/90/12/11/1038901211.db2.gz HSXBSLVGYBRYIB-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN COC(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233199265 1038964752 /nfs/dbraw/zinc/96/47/52/1038964752.db2.gz YOGFTLPJJWICAR-GFCCVEGCSA-N 0 3 378.266 3.693 20 10 GHCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233199265 1038964760 /nfs/dbraw/zinc/96/47/60/1038964760.db2.gz YOGFTLPJJWICAR-GFCCVEGCSA-N 0 3 378.266 3.693 20 10 GHCDHN CCOC(=O)CC1CCN(Cc2c3ccccc3n(C)c2C(=O)OCC)CC1 ZINC001233270928 1039039647 /nfs/dbraw/zinc/03/96/47/1039039647.db2.gz GIQPGIIDKAEBRI-UHFFFAOYSA-N 0 3 386.492 3.520 20 10 GHCDHN CC(C)(C)c1ccc(O)c(CN2CCN(c3cccc4c3OCCO4)CC2)c1 ZINC001233286297 1039065292 /nfs/dbraw/zinc/06/52/92/1039065292.db2.gz NUGPQDNSZDETCM-UHFFFAOYSA-N 0 3 382.504 3.783 20 10 GHCDHN C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001233768706 1039602148 /nfs/dbraw/zinc/60/21/48/1039602148.db2.gz XFPOSLBSMHKYGP-YPMHNXCESA-N 0 3 390.402 3.636 20 10 GHCDHN CCOc1ccc(N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC001253443602 1039643916 /nfs/dbraw/zinc/64/39/16/1039643916.db2.gz YRXJSVXNPWHIJM-UHFFFAOYSA-N 0 3 393.531 3.644 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)c2c1 ZINC001234525794 1040102123 /nfs/dbraw/zinc/10/21/23/1040102123.db2.gz KBCOMYNIKSZSMH-OXJNMPFZSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)c2c1 ZINC001234525794 1040102133 /nfs/dbraw/zinc/10/21/33/1040102133.db2.gz KBCOMYNIKSZSMH-OXJNMPFZSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(C3)c3ccccc3N(C)C4=O)c2c1 ZINC001234544024 1040115091 /nfs/dbraw/zinc/11/50/91/1040115091.db2.gz CODDFMIRZZCILE-XMMPIXPASA-N 0 3 388.467 3.674 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(C3)c3ccccc3N(C)C4=O)c2c1 ZINC001234544024 1040115097 /nfs/dbraw/zinc/11/50/97/1040115097.db2.gz CODDFMIRZZCILE-XMMPIXPASA-N 0 3 388.467 3.674 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4[C@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546016 1040117013 /nfs/dbraw/zinc/11/70/13/1040117013.db2.gz WTRUQDOGBRLTSR-DYESRHJHSA-N 0 3 382.504 3.633 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4[C@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546016 1040117019 /nfs/dbraw/zinc/11/70/19/1040117019.db2.gz WTRUQDOGBRLTSR-DYESRHJHSA-N 0 3 382.504 3.633 20 10 GHCDHN C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001235065405 1040556291 /nfs/dbraw/zinc/55/62/91/1040556291.db2.gz PUXFJMBJLBORRK-KRWDZBQOSA-N 0 3 379.273 3.783 20 10 GHCDHN C[N@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001235065405 1040556309 /nfs/dbraw/zinc/55/63/09/1040556309.db2.gz PUXFJMBJLBORRK-KRWDZBQOSA-N 0 3 379.273 3.783 20 10 GHCDHN CCOc1ccc2c(c1)[C@H](NCc1ccc(N3CCN(C)CC3)c(F)c1)CCO2 ZINC001255164887 1040882348 /nfs/dbraw/zinc/88/23/48/1040882348.db2.gz MXVQMMPXYYOQQO-OAQYLSRUSA-N 0 3 399.510 3.590 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c([O-])c1 ZINC001235680286 1041144051 /nfs/dbraw/zinc/14/40/51/1041144051.db2.gz UJQGQROHKSTGJA-UHFFFAOYSA-N 0 3 382.504 3.832 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c([O-])c1 ZINC001235681211 1041147691 /nfs/dbraw/zinc/14/76/91/1041147691.db2.gz GPUIXLFZCXNJTR-RDPSFJRHSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c([O-])c1 ZINC001235681211 1041147726 /nfs/dbraw/zinc/14/77/26/1041147726.db2.gz GPUIXLFZCXNJTR-RDPSFJRHSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c([O-])c1 ZINC001235682227 1041152701 /nfs/dbraw/zinc/15/27/01/1041152701.db2.gz VESHILDCTRQTOI-HXUWFJFHSA-N 0 3 382.504 3.832 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c([O-])c1 ZINC001235682227 1041152710 /nfs/dbraw/zinc/15/27/10/1041152710.db2.gz VESHILDCTRQTOI-HXUWFJFHSA-N 0 3 382.504 3.832 20 10 GHCDHN C[C@@H]1c2c(F)cccc2CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236525 1041670603 /nfs/dbraw/zinc/67/06/03/1041670603.db2.gz HKCVFETWYLYTEY-IIBYNOLFSA-N 0 3 398.526 3.823 20 10 GHCDHN COc1ccc(N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)cc1 ZINC001256469911 1041749130 /nfs/dbraw/zinc/74/91/30/1041749130.db2.gz SHPWSTBTIDGIEG-HKUYNNGSSA-N 0 3 389.540 3.605 20 10 GHCDHN Cc1ccnc(O[C@@H]2CCN(Cc3cc(OCc4ccccc4)ccc3O)C2)n1 ZINC001236781455 1041888459 /nfs/dbraw/zinc/88/84/59/1041888459.db2.gz DAKLFNHBYDUSHA-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN Oc1cccc(N2CCN(Cc3cc(OCc4ccccc4)ccc3O)CC2)c1 ZINC001236782825 1041889125 /nfs/dbraw/zinc/88/91/25/1041889125.db2.gz PFBSPKLKVVCIMY-UHFFFAOYSA-N 0 3 390.483 3.999 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c([O-])c1 ZINC001236785697 1041891339 /nfs/dbraw/zinc/89/13/39/1041891339.db2.gz BEMIICRGXGDYDZ-JTHBVZDNSA-N 0 3 382.504 3.690 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c([O-])c1 ZINC001236785697 1041891347 /nfs/dbraw/zinc/89/13/47/1041891347.db2.gz BEMIICRGXGDYDZ-JTHBVZDNSA-N 0 3 382.504 3.690 20 10 GHCDHN CCc1ccc(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c(O)c1 ZINC001236786485 1041892089 /nfs/dbraw/zinc/89/20/89/1041892089.db2.gz DYGLSYMHWCYTKE-DBXWQHBBSA-N 0 3 388.533 3.607 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788707 1041894656 /nfs/dbraw/zinc/89/46/56/1041894656.db2.gz NPBHUJSICOSGEX-BJKOFHAPSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788707 1041894664 /nfs/dbraw/zinc/89/46/64/1041894664.db2.gz NPBHUJSICOSGEX-BJKOFHAPSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC(NC(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001236808106 1041908989 /nfs/dbraw/zinc/90/89/89/1041908989.db2.gz MMCJWZYDNZILJM-UHFFFAOYSA-N 0 3 390.524 3.979 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c([O-])c1 ZINC001236812286 1041912451 /nfs/dbraw/zinc/91/24/51/1041912451.db2.gz YODFEPIQQHKZCO-XLIONFOSSA-N 0 3 389.499 3.881 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c([O-])c1 ZINC001236812286 1041912455 /nfs/dbraw/zinc/91/24/55/1041912455.db2.gz YODFEPIQQHKZCO-XLIONFOSSA-N 0 3 389.499 3.881 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817098 1041915102 /nfs/dbraw/zinc/91/51/02/1041915102.db2.gz BSMGRUIBPGQFHQ-OAQYLSRUSA-N 0 3 378.513 3.931 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817098 1041915103 /nfs/dbraw/zinc/91/51/03/1041915103.db2.gz BSMGRUIBPGQFHQ-OAQYLSRUSA-N 0 3 378.513 3.931 20 10 GHCDHN COc1cc(C)c(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001236820844 1041916421 /nfs/dbraw/zinc/91/64/21/1041916421.db2.gz NCRQYPCFKIOTAB-UHFFFAOYSA-N 0 3 388.895 3.711 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001236829488 1041920041 /nfs/dbraw/zinc/92/00/41/1041920041.db2.gz IJDQRQJMFCDFCQ-QPTUXGOLSA-N 0 3 390.483 3.889 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001237041816 1042001282 /nfs/dbraw/zinc/00/12/82/1042001282.db2.gz UYXYQCHWSOCMNE-OAQYLSRUSA-N 0 3 386.517 3.790 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c([O-])c1 ZINC001237041816 1042001291 /nfs/dbraw/zinc/00/12/91/1042001291.db2.gz UYXYQCHWSOCMNE-OAQYLSRUSA-N 0 3 386.517 3.790 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c([O-])c1 ZINC001237047576 1042006256 /nfs/dbraw/zinc/00/62/56/1042006256.db2.gz BRJGSLUBZLKDKD-DEOSSOPVSA-N 0 3 393.531 3.925 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c([O-])c1 ZINC001237047576 1042006262 /nfs/dbraw/zinc/00/62/62/1042006262.db2.gz BRJGSLUBZLKDKD-DEOSSOPVSA-N 0 3 393.531 3.925 20 10 GHCDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237057365 1042014392 /nfs/dbraw/zinc/01/43/92/1042014392.db2.gz SCKHJTQVSZNMDL-UHFFFAOYSA-N 0 3 397.393 3.899 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237057365 1042014398 /nfs/dbraw/zinc/01/43/98/1042014398.db2.gz SCKHJTQVSZNMDL-UHFFFAOYSA-N 0 3 397.393 3.899 20 10 GHCDHN CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064048 1042016997 /nfs/dbraw/zinc/01/69/97/1042016997.db2.gz XHMUWBWGFPOZTE-CYBMUJFWSA-N 0 3 389.414 3.887 20 10 GHCDHN CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064048 1042017004 /nfs/dbraw/zinc/01/70/04/1042017004.db2.gz XHMUWBWGFPOZTE-CYBMUJFWSA-N 0 3 389.414 3.887 20 10 GHCDHN CN(Cc1cccs1)Cc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001237098878 1042034908 /nfs/dbraw/zinc/03/49/08/1042034908.db2.gz MKIXPURNTSAMCT-UHFFFAOYSA-N 0 3 394.382 3.894 20 10 GHCDHN CN(Cc1c(O)cccc1OC(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237123254 1042051112 /nfs/dbraw/zinc/05/11/12/1042051112.db2.gz OFJVTQSIFIQQAG-GFCCVEGCSA-N 0 3 390.402 3.732 20 10 GHCDHN O=c1oc2ccccc2n1C1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125510 1042052680 /nfs/dbraw/zinc/05/26/80/1042052680.db2.gz DACCAHCVEHBNBA-UHFFFAOYSA-N 0 3 376.815 3.930 20 10 GHCDHN CC(C)N1CCC2(CCN(Cc3c(O)cccc3OC(F)(F)F)CC2)C1=O ZINC001237125882 1042054125 /nfs/dbraw/zinc/05/41/25/1042054125.db2.gz QWFOSSSBDRYRRS-UHFFFAOYSA-N 0 3 386.414 3.514 20 10 GHCDHN CC(C)N1CCC2(CC[NH+](Cc3c([O-])cccc3OC(F)(F)F)CC2)C1=O ZINC001237125882 1042054128 /nfs/dbraw/zinc/05/41/28/1042054128.db2.gz QWFOSSSBDRYRRS-UHFFFAOYSA-N 0 3 386.414 3.514 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]21 ZINC001237134831 1042056372 /nfs/dbraw/zinc/05/63/72/1042056372.db2.gz DEARGWAXSSFRPO-QKDCVEJESA-N 0 3 386.414 3.614 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]21 ZINC001237134831 1042056376 /nfs/dbraw/zinc/05/63/76/1042056376.db2.gz DEARGWAXSSFRPO-QKDCVEJESA-N 0 3 386.414 3.614 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237137487 1042059390 /nfs/dbraw/zinc/05/93/90/1042059390.db2.gz PXUSSBSRIDHCCV-BBRMVZONSA-N 0 3 397.466 3.964 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237137487 1042059398 /nfs/dbraw/zinc/05/93/98/1042059398.db2.gz PXUSSBSRIDHCCV-BBRMVZONSA-N 0 3 397.466 3.964 20 10 GHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237142964 1042062026 /nfs/dbraw/zinc/06/20/26/1042062026.db2.gz JAXOMCGRZUSGIC-IBGZPJMESA-N 0 3 394.437 3.744 20 10 GHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237142964 1042062034 /nfs/dbraw/zinc/06/20/34/1042062034.db2.gz JAXOMCGRZUSGIC-IBGZPJMESA-N 0 3 394.437 3.744 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001237487100 1042230226 /nfs/dbraw/zinc/23/02/26/1042230226.db2.gz WTKANNGTITVJRF-UHFFFAOYSA-N 0 3 384.495 3.707 20 10 GHCDHN COCCC[N@H+](Cc1c(C)cccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237488484 1042231827 /nfs/dbraw/zinc/23/18/27/1042231827.db2.gz YUGIPPPIFJCBDC-UHFFFAOYSA-N 0 3 392.540 3.939 20 10 GHCDHN COCCC[N@@H+](Cc1c(C)cccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237488484 1042231832 /nfs/dbraw/zinc/23/18/32/1042231832.db2.gz YUGIPPPIFJCBDC-UHFFFAOYSA-N 0 3 392.540 3.939 20 10 GHCDHN CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237678558 1042318685 /nfs/dbraw/zinc/31/86/85/1042318685.db2.gz AFLQLZYRNDGQAA-KRWDZBQOSA-N 0 3 397.357 3.538 20 10 GHCDHN CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237678558 1042318691 /nfs/dbraw/zinc/31/86/91/1042318691.db2.gz AFLQLZYRNDGQAA-KRWDZBQOSA-N 0 3 397.357 3.538 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1Br ZINC001237680011 1042321641 /nfs/dbraw/zinc/32/16/41/1042321641.db2.gz YFAZRUDFGPDDHQ-HNNXBMFYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1Br ZINC001237680011 1042321646 /nfs/dbraw/zinc/32/16/46/1042321646.db2.gz YFAZRUDFGPDDHQ-HNNXBMFYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)c1[O-] ZINC001237683164 1042323362 /nfs/dbraw/zinc/32/33/62/1042323362.db2.gz DKDGHSRJZVBVSC-LJQANCHMSA-N 0 3 384.907 3.992 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001237684486 1042324806 /nfs/dbraw/zinc/32/48/06/1042324806.db2.gz LCSMJYGHTUAGGB-KNQAVFIVSA-N 0 3 384.907 3.802 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001237684486 1042324810 /nfs/dbraw/zinc/32/48/10/1042324810.db2.gz LCSMJYGHTUAGGB-KNQAVFIVSA-N 0 3 384.907 3.802 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c(C)cc2[O-])C[C@H]1C ZINC001237686578 1042326934 /nfs/dbraw/zinc/32/69/34/1042326934.db2.gz VHZIEJCKPFDANI-KGLIPLIRSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C[C@H]1C ZINC001237686578 1042326939 /nfs/dbraw/zinc/32/69/39/1042326939.db2.gz VHZIEJCKPFDANI-KGLIPLIRSA-N 0 3 384.314 3.874 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1[O-] ZINC001237686839 1042327241 /nfs/dbraw/zinc/32/72/41/1042327241.db2.gz TXNUNRHCZXHFDR-QFIPXVFZSA-N 0 3 399.922 3.906 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1[O-] ZINC001237686839 1042327252 /nfs/dbraw/zinc/32/72/52/1042327252.db2.gz TXNUNRHCZXHFDR-QFIPXVFZSA-N 0 3 399.922 3.906 20 10 GHCDHN O=C(c1cccc(F)c1)N1CC[C@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237938450 1042428778 /nfs/dbraw/zinc/42/87/78/1042428778.db2.gz ZAYJZSMBHLYTGJ-SCLBCKFNSA-N 0 3 392.833 3.670 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c1[O-] ZINC001238060593 1042478961 /nfs/dbraw/zinc/47/89/61/1042478961.db2.gz JXAXNVDFEGSURS-UHFFFAOYSA-N 0 3 397.494 3.753 20 10 GHCDHN CSc1nc(Cl)cc(N2CCCN(Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238069483 1042481012 /nfs/dbraw/zinc/48/10/12/1042481012.db2.gz ZKSVBDICABCBQL-UHFFFAOYSA-N 0 3 396.919 3.717 20 10 GHCDHN CCOc1ccc(N2CCN(C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 ZINC001258647934 1044687920 /nfs/dbraw/zinc/68/79/20/1044687920.db2.gz HAIPGFMUHDMNAA-UHFFFAOYSA-N 0 3 393.531 3.512 20 10 GHCDHN CC(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463279631 1070958731 /nfs/dbraw/zinc/95/87/31/1070958731.db2.gz JHACAKPJZUHROL-DHIUTWEWSA-N 0 3 381.564 3.986 20 10 GHCDHN Cc1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3)[C@@H](C)C2)cc1C ZINC001307511151 1049353544 /nfs/dbraw/zinc/35/35/44/1049353544.db2.gz LPFJXQFFENFLMT-NRFANRHFSA-N 0 3 379.548 3.851 20 10 GHCDHN COc1cc(C)c(CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c(O)c1 ZINC001308958960 1050219967 /nfs/dbraw/zinc/21/99/67/1050219967.db2.gz NRSPPRUZKADWLN-QGZVFWFLSA-N 0 3 388.895 3.757 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCC3)cc2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC001323189154 1056935732 /nfs/dbraw/zinc/93/57/32/1056935732.db2.gz FCBVISUJZNXSIX-PMVMPFDFSA-N 0 3 375.516 3.533 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1[O-] ZINC000848514157 1057142220 /nfs/dbraw/zinc/14/22/20/1057142220.db2.gz KYDJAJXXDKOOAB-JTQLQIEISA-N 0 3 380.238 3.743 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1[O-] ZINC000848513427 1057142457 /nfs/dbraw/zinc/14/24/57/1057142457.db2.gz DGEWSDBJZPMGNO-NSHDSACASA-N 0 3 394.265 3.785 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1[O-] ZINC000848517047 1057144055 /nfs/dbraw/zinc/14/40/55/1057144055.db2.gz AHIMWFPJAGWWGC-YGRLFVJLSA-N 0 3 380.286 3.625 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1[O-] ZINC000848529957 1057152048 /nfs/dbraw/zinc/15/20/48/1057152048.db2.gz AFKXXKIHBFHPDQ-GFCCVEGCSA-N 0 3 393.281 3.843 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCC(=O)N(C)C2CCCCC2)c1O ZINC000848531680 1057153440 /nfs/dbraw/zinc/15/34/40/1057153440.db2.gz RLDYUYOSKXQKNQ-GFCCVEGCSA-N 0 3 399.329 3.605 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)c2sccc2C)c1[O-] ZINC000848534362 1057155535 /nfs/dbraw/zinc/15/55/35/1057155535.db2.gz QVOZEXYKGZGQDQ-MFKMUULPSA-N 0 3 386.311 3.917 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000848538016 1057159976 /nfs/dbraw/zinc/15/99/76/1057159976.db2.gz RVCDQLRADDZROZ-XBPFNRNPSA-N 0 3 382.298 3.772 20 10 GHCDHN C[C@H]1CCc2sc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2C1 ZINC001439959079 1058365660 /nfs/dbraw/zinc/36/56/60/1058365660.db2.gz BWNGVAFNJVNVMS-HNAYVOBHSA-N 0 3 385.577 3.972 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001439960909 1058368405 /nfs/dbraw/zinc/36/84/05/1058368405.db2.gz OQAJQQCKPFAINK-NFBKMPQASA-N 0 3 379.548 3.982 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2F)N(C)C)cc1 ZINC001456935237 1062924112 /nfs/dbraw/zinc/92/41/12/1062924112.db2.gz RAZXHQUACFINAC-JOCHJYFZSA-N 0 3 394.494 3.920 20 10 GHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001200255241 1065748633 /nfs/dbraw/zinc/74/86/33/1065748633.db2.gz MWVLMQUOXWTSHA-MRXNPFEDSA-N 0 3 388.506 3.633 20 10 GHCDHN Cc1c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)oc2ccccc12 ZINC001468802914 1067889491 /nfs/dbraw/zinc/88/94/91/1067889491.db2.gz AXGZNCOWGUUVJT-FQEVSTJZSA-N 0 3 394.519 3.909 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)N(C)C)cc1 ZINC001470356024 1068697102 /nfs/dbraw/zinc/69/71/02/1068697102.db2.gz MGILESVSPVZLLZ-VCOUNFBDSA-N 0 3 398.526 3.740 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCc3c(F)cccc32)N(C)C)cc1 ZINC001470360485 1068699962 /nfs/dbraw/zinc/69/99/62/1068699962.db2.gz AGUSASVWFJAPBO-VXKWHMMOSA-N 0 3 398.526 3.871 20 10 GHCDHN C[C@H](CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001478542144 1078910675 /nfs/dbraw/zinc/91/06/75/1078910675.db2.gz MSWDROGXCNVROS-XMSQKQJNSA-N 0 3 382.552 3.848 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCCC(F)(F)C2)N(C)C)cc1 ZINC001478691758 1078957874 /nfs/dbraw/zinc/95/78/74/1078957874.db2.gz WQIHFFIRJXUHOD-VQIMIIECSA-N 0 3 396.526 3.870 20 10 GHCDHN Cc1cc(F)ccc1[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471281605 1072996347 /nfs/dbraw/zinc/99/63/47/1072996347.db2.gz JJTCLIOSTYZGCR-KKSFZXQISA-N 0 3 386.515 3.863 20 10 GHCDHN O=C(N1Cc2cccc(O)c2C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001471355323 1073036128 /nfs/dbraw/zinc/03/61/28/1073036128.db2.gz FZKJVGWWCPQUGU-HXUWFJFHSA-N 0 3 390.405 3.689 20 10 GHCDHN CCSCC[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471546025 1073125715 /nfs/dbraw/zinc/12/57/15/1073125715.db2.gz UPQQBAPJWOSSKY-VQIMIIECSA-N 0 3 380.602 3.528 20 10 GHCDHN CCC1(c2ccccc2)CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001471547091 1073125981 /nfs/dbraw/zinc/12/59/81/1073125981.db2.gz ILCCHZBBSHFDCO-QFIPXVFZSA-N 0 3 394.563 3.729 20 10 GHCDHN COc1c(C)ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC001475934183 1075052462 /nfs/dbraw/zinc/05/24/62/1075052462.db2.gz XZJUNOYSVJCVRF-FQEVSTJZSA-N 0 3 384.524 3.802 20 10 GHCDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180767843 837542731 /nfs/dbraw/zinc/54/27/31/837542731.db2.gz OUGXFWYBHGFNEV-MAUKXSAKSA-N 0 3 383.458 3.881 20 10 GHCDHN O=C(OCc1ccccc1)N1CC(NCc2ccc(N3CCCCC3)cc2)C1 ZINC000397256173 836959510 /nfs/dbraw/zinc/95/95/10/836959510.db2.gz IGCSUTCBHODSRB-UHFFFAOYSA-N 0 3 379.504 3.788 20 10 GHCDHN Oc1cc2c(cc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1)OCO2 ZINC000180584240 837372683 /nfs/dbraw/zinc/37/26/83/837372683.db2.gz TVSJXLKGOBFZOM-LJQANCHMSA-N 0 3 383.469 3.918 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(O)c1OC ZINC000892686271 838398644 /nfs/dbraw/zinc/39/86/44/838398644.db2.gz JXPGSPPQILANJQ-ZDUSSCGKSA-N 0 3 385.439 3.893 20 10 GHCDHN COCC[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCOC1 ZINC000782976328 838584693 /nfs/dbraw/zinc/58/46/93/838584693.db2.gz LJRWMODVWALFBE-OAHLLOKOSA-N 0 3 380.282 3.545 20 10 GHCDHN COCC[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCOC1 ZINC000782976328 838584698 /nfs/dbraw/zinc/58/46/98/838584698.db2.gz LJRWMODVWALFBE-OAHLLOKOSA-N 0 3 380.282 3.545 20 10 GHCDHN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001279107374 839013062 /nfs/dbraw/zinc/01/30/62/839013062.db2.gz OJSLZOHWHNLYFN-UHFFFAOYSA-N 0 3 378.385 3.911 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](ONC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000398840917 842005716 /nfs/dbraw/zinc/00/57/16/842005716.db2.gz OVUUSPDPWVNDJD-HNNXBMFYSA-N 0 3 388.892 3.625 20 10 GHCDHN CC1CCN(c2ccc(CNCc3cccc(NS(C)(=O)=O)c3)cc2)CC1 ZINC000731041468 861425755 /nfs/dbraw/zinc/42/57/55/861425755.db2.gz AITQNZQZZZLNPH-UHFFFAOYSA-N 0 3 387.549 3.584 20 10 GHCDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588459293 843544474 /nfs/dbraw/zinc/54/44/74/843544474.db2.gz URKRJUMNDHHXIH-OALUTQOASA-N 0 3 379.464 3.674 20 10 GHCDHN O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCN1Cc1ccccn1 ZINC000273072313 847244551 /nfs/dbraw/zinc/24/45/51/847244551.db2.gz ORDMFIXXQPFGTB-QFIPXVFZSA-N 0 3 387.483 3.735 20 10 GHCDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255546786 848295051 /nfs/dbraw/zinc/29/50/51/848295051.db2.gz NJVKHWJYYQGKPL-LJQANCHMSA-N 0 3 379.464 3.641 20 10 GHCDHN COC(=O)c1cccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c1 ZINC000731848454 861905675 /nfs/dbraw/zinc/90/56/75/861905675.db2.gz YJIIPZTXKBBQSA-UHFFFAOYSA-N 0 3 382.460 3.562 20 10 GHCDHN COC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848454 861905690 /nfs/dbraw/zinc/90/56/90/861905690.db2.gz YJIIPZTXKBBQSA-UHFFFAOYSA-N 0 3 382.460 3.562 20 10 GHCDHN COC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848454 861905700 /nfs/dbraw/zinc/90/57/00/861905700.db2.gz YJIIPZTXKBBQSA-UHFFFAOYSA-N 0 3 382.460 3.562 20 10 GHCDHN Cc1cccc(OCCNC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848085 861908042 /nfs/dbraw/zinc/90/80/42/861908042.db2.gz QVWXJTPYEPFWNL-UHFFFAOYSA-N 0 3 382.504 3.640 20 10 GHCDHN Cc1cccc(OCCNC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848085 861908052 /nfs/dbraw/zinc/90/80/52/861908052.db2.gz QVWXJTPYEPFWNL-UHFFFAOYSA-N 0 3 382.504 3.640 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000161961677 848775838 /nfs/dbraw/zinc/77/58/38/848775838.db2.gz CWAFRCTXZSKUIE-MRXNPFEDSA-N 0 3 386.467 3.674 20 10 GHCDHN COc1ccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c(O)c1OC ZINC000894871067 853283664 /nfs/dbraw/zinc/28/36/64/853283664.db2.gz LGNNRRGSQMUCRJ-UHFFFAOYSA-N 0 3 378.856 3.501 20 10 GHCDHN CN(C(=O)c1ccncc1)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921755887 856299378 /nfs/dbraw/zinc/29/93/78/856299378.db2.gz FAPHIGOHOKIETL-UHFFFAOYSA-N 0 3 387.483 3.973 20 10 GHCDHN COc1ccc(-n2ccc(CNC3CCN(c4ccc(OC)cc4)CC3)n2)cc1 ZINC000765756750 856370334 /nfs/dbraw/zinc/37/03/34/856370334.db2.gz PFEBATMKKPVZTP-UHFFFAOYSA-N 0 3 392.503 3.648 20 10 GHCDHN CCOc1ccc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1F ZINC000785457152 856670566 /nfs/dbraw/zinc/67/05/66/856670566.db2.gz RUNCUOVRGLWBMR-UHFFFAOYSA-N 0 3 389.490 3.795 20 10 GHCDHN COc1ccc(OC)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000733335015 862876600 /nfs/dbraw/zinc/87/66/00/862876600.db2.gz YTHZKPXDABYXED-SFHVURJKSA-N 0 3 390.911 3.817 20 10 GHCDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCC2 ZINC000765251434 859866441 /nfs/dbraw/zinc/86/64/41/859866441.db2.gz FQDJYDUJJNNYRP-WMZOPIPTSA-N 0 3 398.576 3.574 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2ccccc2o1 ZINC000765257198 859874897 /nfs/dbraw/zinc/87/48/97/859874897.db2.gz XSVUOBVHZXJVAT-QFBILLFUSA-N 0 3 377.488 3.985 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccsc1 ZINC000765277720 859882017 /nfs/dbraw/zinc/88/20/17/859882017.db2.gz UXGWFNQGRVSYQN-MRXNPFEDSA-N 0 3 397.523 3.855 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000765288595 859891412 /nfs/dbraw/zinc/89/14/12/859891412.db2.gz XZNNMRCVAZXPND-OAHLLOKOSA-N 0 3 397.494 3.522 20 10 GHCDHN CC[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154235317 860028913 /nfs/dbraw/zinc/02/89/13/860028913.db2.gz PXXYLEBAQBRYEE-PKTZIBPZSA-N 0 3 395.547 3.902 20 10 GHCDHN CCCN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccccc1O ZINC000727830881 860284198 /nfs/dbraw/zinc/28/41/98/860284198.db2.gz SXRKSPIESMNTGL-UHFFFAOYSA-N 0 3 396.409 3.819 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000765657359 860380699 /nfs/dbraw/zinc/38/06/99/860380699.db2.gz DNDLIALQZJYEIM-IAGOWNOFSA-N 0 3 389.565 3.805 20 10 GHCDHN COCCC[N@H+](Cc1ccncc1)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000730253809 860974991 /nfs/dbraw/zinc/97/49/91/860974991.db2.gz JCFHZEDPBPZQIS-UHFFFAOYSA-N 0 3 394.471 3.766 20 10 GHCDHN COCCC[N@@H+](Cc1ccncc1)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000730253809 860975006 /nfs/dbraw/zinc/97/50/06/860975006.db2.gz JCFHZEDPBPZQIS-UHFFFAOYSA-N 0 3 394.471 3.766 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000734271506 864109467 /nfs/dbraw/zinc/10/94/67/864109467.db2.gz AUZQDKADITYOKG-NRFANRHFSA-N 0 3 398.526 3.918 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000734281005 864116085 /nfs/dbraw/zinc/11/60/85/864116085.db2.gz VKXQMBHUGXZYCT-UTKZUKDTSA-N 0 3 397.519 3.988 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1cc2ccccc2nc1N1CCOCC1 ZINC000734512412 864269551 /nfs/dbraw/zinc/26/95/51/864269551.db2.gz SKLXNCKOYDTYOW-UHFFFAOYSA-N 0 3 390.531 3.736 20 10 GHCDHN C[C@](CO)(NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000734845562 864472940 /nfs/dbraw/zinc/47/29/40/864472940.db2.gz UCTWEAXYKNZCMK-HXUWFJFHSA-N 0 3 394.437 3.539 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[O-] ZINC000763726954 864883026 /nfs/dbraw/zinc/88/30/26/864883026.db2.gz AIKIWMADEZWMCO-LRDDRELGSA-N 0 3 375.266 3.611 20 10 GHCDHN COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000735675990 864921059 /nfs/dbraw/zinc/92/10/59/864921059.db2.gz CKXSHASNZHUTPR-QHCPKHFHSA-N 0 3 379.456 3.900 20 10 GHCDHN COc1ccc(C(=O)Nc2cccc(CNCc3cccc(OC)c3O)c2)cc1 ZINC000733900883 864961377 /nfs/dbraw/zinc/96/13/77/864961377.db2.gz OHISAICNHMTMPM-UHFFFAOYSA-N 0 3 392.455 3.952 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000736001249 865084788 /nfs/dbraw/zinc/08/47/88/865084788.db2.gz WGSQEUNJCGNERZ-UHFFFAOYSA-N 0 3 387.568 3.525 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC(C)C)c(OC)c3)c2)CC1 ZINC000185291048 865937795 /nfs/dbraw/zinc/93/77/95/865937795.db2.gz DYCNAJYSJUCCMO-UHFFFAOYSA-N 0 3 397.519 3.877 20 10 GHCDHN CC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@]2(CCOC2)O1 ZINC000793361720 882126080 /nfs/dbraw/zinc/12/60/80/882126080.db2.gz PDXFGQQFZCZFJI-OFNKIYASSA-N 0 3 383.488 3.741 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000743859523 868456847 /nfs/dbraw/zinc/45/68/47/868456847.db2.gz BIYNDXSYHUZZLT-HXUWFJFHSA-N 0 3 397.588 3.825 20 10 GHCDHN CCCN(CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)Cc1ccccc1O ZINC000743869803 868466437 /nfs/dbraw/zinc/46/64/37/868466437.db2.gz ARUTWYYYGRGHAP-FQEVSTJZSA-N 0 3 395.547 3.510 20 10 GHCDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438982 868840212 /nfs/dbraw/zinc/84/02/12/868840212.db2.gz WHZKDXWAKDDSSS-INIZCTEOSA-N 0 3 378.513 3.837 20 10 GHCDHN COc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000069714815 871435037 /nfs/dbraw/zinc/43/50/37/871435037.db2.gz TUKBPNAPPHMZTN-UHFFFAOYSA-N 0 3 380.410 3.840 20 10 GHCDHN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182436715 872344514 /nfs/dbraw/zinc/34/45/14/872344514.db2.gz BMGUSBBRBSDXJZ-BEFAXECRSA-N 0 3 386.492 3.718 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000775655621 872409813 /nfs/dbraw/zinc/40/98/13/872409813.db2.gz IKHDYTCJZJVZLR-UHFFFAOYSA-N 0 3 383.330 3.542 20 10 GHCDHN Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1[O-] ZINC000775655621 872409823 /nfs/dbraw/zinc/40/98/23/872409823.db2.gz IKHDYTCJZJVZLR-UHFFFAOYSA-N 0 3 383.330 3.542 20 10 GHCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715134 873093970 /nfs/dbraw/zinc/09/39/70/873093970.db2.gz CLKTXAQGTKIOEA-MBSDFSHPSA-N 0 3 383.511 3.540 20 10 GHCDHN COCCN(Cc1ccccc1)Cc1cc(Br)cc(OC)c1O ZINC000768159441 873121406 /nfs/dbraw/zinc/12/14/06/873121406.db2.gz FUPVSMMFBFNIAK-UHFFFAOYSA-N 0 3 380.282 3.812 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccc(Br)c1)C1CC1)[C@H](O)CO2 ZINC000768441461 873307371 /nfs/dbraw/zinc/30/73/71/873307371.db2.gz LQBPDRKSDXCQBS-GOSISDBHSA-N 0 3 390.277 3.745 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccc(Br)c1)C1CC1)[C@H](O)CO2 ZINC000768441461 873307388 /nfs/dbraw/zinc/30/73/88/873307388.db2.gz LQBPDRKSDXCQBS-GOSISDBHSA-N 0 3 390.277 3.745 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000768949061 873704359 /nfs/dbraw/zinc/70/43/59/873704359.db2.gz CKQNYHGFFYNXHZ-LAUBAEHRSA-N 0 3 399.535 3.918 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000769234916 873910444 /nfs/dbraw/zinc/91/04/44/873910444.db2.gz YSMIVTRIPJNODL-HNNXBMFYSA-N 0 3 383.423 3.970 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000769234916 873910452 /nfs/dbraw/zinc/91/04/52/873910452.db2.gz YSMIVTRIPJNODL-HNNXBMFYSA-N 0 3 383.423 3.970 20 10 GHCDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769415435 874032427 /nfs/dbraw/zinc/03/24/27/874032427.db2.gz OECHIHFUNBSCDC-CABCVRRESA-N 0 3 397.947 3.740 20 10 GHCDHN COc1cc(C)c([C@@H](C)NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833647 874319169 /nfs/dbraw/zinc/31/91/69/874319169.db2.gz FXIKFESXYHPLGM-IAGOWNOFSA-N 0 3 399.535 3.606 20 10 GHCDHN COc1cc(OC)c(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000775834971 874328925 /nfs/dbraw/zinc/32/89/25/874328925.db2.gz XIVZWLAMIJWNFP-CYBMUJFWSA-N 0 3 391.899 3.713 20 10 GHCDHN Cc1cc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)n(-c2ccc(F)cc2)n1 ZINC000775837041 874333073 /nfs/dbraw/zinc/33/30/73/874333073.db2.gz QQGCYJCUJZJUEJ-MRXNPFEDSA-N 0 3 395.482 3.675 20 10 GHCDHN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000775834403 874340762 /nfs/dbraw/zinc/34/07/62/874340762.db2.gz NTXLOECIUXKKPA-HXOBKFHXSA-N 0 3 383.536 3.925 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC001199971552 875260398 /nfs/dbraw/zinc/26/03/98/875260398.db2.gz BGJKULSOKBIGLI-NRFANRHFSA-N 0 3 375.516 3.810 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1[O-] ZINC000785984116 876393905 /nfs/dbraw/zinc/39/39/05/876393905.db2.gz FCOZNAHQQOIKCN-KRWDZBQOSA-N 0 3 395.341 3.876 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccc1OC(F)F ZINC000850404710 876885761 /nfs/dbraw/zinc/88/57/61/876885761.db2.gz DTLFLJZGHYTZDP-UHFFFAOYSA-N 0 3 392.446 3.548 20 10 GHCDHN OC1CCN(c2ccc(CNCc3c(C4CC4)nc4sccn34)cc2)CC1 ZINC000850405726 876886905 /nfs/dbraw/zinc/88/69/05/876886905.db2.gz AZELQDVXYOZWDK-UHFFFAOYSA-N 0 3 382.533 3.524 20 10 GHCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@@H]1C ZINC000787241583 877258835 /nfs/dbraw/zinc/25/88/35/877258835.db2.gz UHAWCNNVTOLLOJ-BXUZGUMPSA-N 0 3 378.266 3.691 20 10 GHCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@@H]1C ZINC000787241583 877258848 /nfs/dbraw/zinc/25/88/48/877258848.db2.gz UHAWCNNVTOLLOJ-BXUZGUMPSA-N 0 3 378.266 3.691 20 10 GHCDHN COc1cc(C)cc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC001183280105 912380205 /nfs/dbraw/zinc/38/02/05/912380205.db2.gz GFIFHJWQTVITHE-MRXNPFEDSA-N 0 3 394.393 3.623 20 10 GHCDHN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000854245230 879657515 /nfs/dbraw/zinc/65/75/15/879657515.db2.gz GRTXOBPRHOZMEZ-HXUWFJFHSA-N 0 3 398.551 3.930 20 10 GHCDHN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000103510006 881243689 /nfs/dbraw/zinc/24/36/89/881243689.db2.gz JBFCKSJQRUTQHR-KBXCAEBGSA-N 0 3 391.537 3.906 20 10 GHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC ZINC000173346337 881315774 /nfs/dbraw/zinc/31/57/74/881315774.db2.gz RKVKHVBVJPDNFK-OAHLLOKOSA-N 0 3 388.483 3.655 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000858493384 883146354 /nfs/dbraw/zinc/14/63/54/883146354.db2.gz SLUWGWDJAFNRAF-UKRRQHHQSA-N 0 3 394.487 3.743 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1[O-] ZINC000186988139 883741291 /nfs/dbraw/zinc/74/12/91/883741291.db2.gz MPJUZBWMBKQBRB-ZDUSSCGKSA-N 0 3 387.281 3.895 20 10 GHCDHN CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000806324192 884584728 /nfs/dbraw/zinc/58/47/28/884584728.db2.gz CUMSFPPPVQBGCD-QFIPXVFZSA-N 0 3 398.551 3.642 20 10 GHCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1 ZINC000806846609 885023779 /nfs/dbraw/zinc/02/37/79/885023779.db2.gz UZEBMFCTIFRMJW-XXBNENTESA-N 0 3 390.531 3.525 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000915688078 887305676 /nfs/dbraw/zinc/30/56/76/887305676.db2.gz HHWLDYIRZLQOTH-FQEVSTJZSA-N 0 3 398.576 3.985 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000915738034 887379545 /nfs/dbraw/zinc/37/95/45/887379545.db2.gz ZBWCHUPDTLFLCQ-QHCPKHFHSA-N 0 3 392.547 3.923 20 10 GHCDHN COc1ccc(C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)c([O-])c1 ZINC000809658518 887664775 /nfs/dbraw/zinc/66/47/75/887664775.db2.gz QCAPRDOORHHRQE-UHFFFAOYSA-N 0 3 384.476 3.539 20 10 GHCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C)cc1[O-] ZINC000794794818 888057283 /nfs/dbraw/zinc/05/72/83/888057283.db2.gz GGQGRUXECZQSTI-QGZVFWFLSA-N 0 3 391.309 3.934 20 10 GHCDHN CSc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1F ZINC001134681984 893219253 /nfs/dbraw/zinc/21/92/53/893219253.db2.gz PKHLGQIIKFPDIT-SFHVURJKSA-N 0 3 375.513 3.646 20 10 GHCDHN OCCCCOc1ccccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000876943314 893397524 /nfs/dbraw/zinc/39/75/24/893397524.db2.gz PNXSKBXFYQOHSF-UHFFFAOYSA-N 0 3 386.561 3.681 20 10 GHCDHN CC(C)CC(=O)Nc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876985644 893419595 /nfs/dbraw/zinc/41/95/95/893419595.db2.gz KGUYAFQUQRZWDX-UHFFFAOYSA-N 0 3 395.547 3.922 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000815156220 893494347 /nfs/dbraw/zinc/49/43/47/893494347.db2.gz XTKGAVQZYZHCFN-QRWLVFNGSA-N 0 3 386.467 3.772 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc3ccccc3n2)N(C)C)cc1 ZINC001134882877 893506393 /nfs/dbraw/zinc/50/63/93/893506393.db2.gz WIGFINYVEGEWNW-HRNYAPDYSA-N 0 3 388.515 3.733 20 10 GHCDHN OC1CCN(c2ccc(CNCc3c(Cl)cccc3-n3ccnc3)cc2)CC1 ZINC000877558041 893688716 /nfs/dbraw/zinc/68/87/16/893688716.db2.gz USWMGRQUMLCPNO-UHFFFAOYSA-N 0 3 396.922 3.777 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccncc3Cl)cc2F)CC1 ZINC000817578365 895746771 /nfs/dbraw/zinc/74/67/71/895746771.db2.gz UPPQNPDERPZJOE-HNNXBMFYSA-N 0 3 376.907 3.867 20 10 GHCDHN CNC(=O)c1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1 ZINC000796262179 914020595 /nfs/dbraw/zinc/02/05/95/914020595.db2.gz HGDCIPBSINYSRW-UHFFFAOYSA-N 0 3 385.511 3.899 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000129130072 896411600 /nfs/dbraw/zinc/41/16/00/896411600.db2.gz MDLOCXTVBMUEEZ-UHFFFAOYSA-N 0 3 382.426 3.632 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OC)c(F)c3)cc2F)CC1 ZINC000155271015 898549779 /nfs/dbraw/zinc/54/97/79/898549779.db2.gz GCBNUNFXPQXZCQ-MRXNPFEDSA-N 0 3 389.490 3.966 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000823442533 899028839 /nfs/dbraw/zinc/02/88/39/899028839.db2.gz HGDHNIJOPMWYOO-HXUWFJFHSA-N 0 3 383.561 3.971 20 10 GHCDHN Oc1ccc(Cl)cc1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000844583560 901031435 /nfs/dbraw/zinc/03/14/35/901031435.db2.gz CRYDCCVYOVIGRI-UHFFFAOYSA-N 0 3 389.952 3.674 20 10 GHCDHN CCc1nc(C)c([C@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886747020 901251353 /nfs/dbraw/zinc/25/13/53/901251353.db2.gz IYFMQCAAUBGLSX-AWEZNQCLSA-N 0 3 386.565 3.566 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000886747364 901252612 /nfs/dbraw/zinc/25/26/12/901252612.db2.gz ROKXRSCNRGCFLK-FQEVSTJZSA-N 0 3 399.535 3.854 20 10 GHCDHN Cc1occc1C(=O)NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093009877 901522929 /nfs/dbraw/zinc/52/29/29/901522929.db2.gz KFQYMLLTNVANFX-UHFFFAOYSA-N 0 3 381.520 3.973 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)N[C@@H]1CCCc2ccccc21 ZINC001186483536 914569673 /nfs/dbraw/zinc/56/96/73/914569673.db2.gz XKKGCSSXUAEDDX-OAQYLSRUSA-N 0 3 379.504 3.733 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000779011106 902812498 /nfs/dbraw/zinc/81/24/98/902812498.db2.gz DOQWYZQPPQSOFB-KGLIPLIRSA-N 0 3 391.309 3.819 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000779018688 902930187 /nfs/dbraw/zinc/93/01/87/902930187.db2.gz ONAFWABJFCOASB-ZYHUDNBSSA-N 0 3 381.236 3.750 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000103604239 903885689 /nfs/dbraw/zinc/88/56/89/903885689.db2.gz MBJMZUJVPIOIHR-JXFKEZNVSA-N 0 3 383.492 3.598 20 10 GHCDHN CCCCN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000801599408 921176712 /nfs/dbraw/zinc/17/67/12/921176712.db2.gz MVSQUXZBHRDNLS-HXUWFJFHSA-N 0 3 395.547 3.637 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cnn(C(C)C)c3C)cc2F)CC1 ZINC000191274836 906833121 /nfs/dbraw/zinc/83/31/21/906833121.db2.gz ASTWTWSKBATZJK-QGZVFWFLSA-N 0 3 387.547 3.904 20 10 GHCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192920591 908014420 /nfs/dbraw/zinc/01/44/20/908014420.db2.gz ZGNWVSOALGFCRP-INIZCTEOSA-N 0 3 375.310 3.766 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773624260 908456681 /nfs/dbraw/zinc/45/66/81/908456681.db2.gz MDQDBAPAEAQVSR-LVCYWYKZSA-N 0 3 380.536 3.776 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1N1CCN(C)CC1 ZINC001177748468 908734627 /nfs/dbraw/zinc/73/46/27/908734627.db2.gz BUDPSNLCYWYOHV-KRWDZBQOSA-N 0 3 383.511 3.753 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)c2c1 ZINC000195088480 908964927 /nfs/dbraw/zinc/96/49/27/908964927.db2.gz ALYLUHHTXRHMLC-NRFANRHFSA-N 0 3 376.456 3.617 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)c2c1 ZINC000195088480 908964935 /nfs/dbraw/zinc/96/49/35/908964935.db2.gz ALYLUHHTXRHMLC-NRFANRHFSA-N 0 3 376.456 3.617 20 10 GHCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859480 909783570 /nfs/dbraw/zinc/78/35/70/909783570.db2.gz PNTRXAAZTDDZHD-HUUCEWRRSA-N 0 3 397.357 3.980 20 10 GHCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859480 909783576 /nfs/dbraw/zinc/78/35/76/909783576.db2.gz PNTRXAAZTDDZHD-HUUCEWRRSA-N 0 3 397.357 3.980 20 10 GHCDHN CN(CC(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1)C1CCCC1 ZINC001180629095 910275787 /nfs/dbraw/zinc/27/57/87/910275787.db2.gz GSBLXQNAVUNQHN-UHFFFAOYSA-N 0 3 381.480 3.726 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000271476454 910918888 /nfs/dbraw/zinc/91/88/88/910918888.db2.gz IZGDUWFCDUIGNI-MPEQGZPJSA-N 0 3 390.524 3.812 20 10 GHCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000247077811 910953208 /nfs/dbraw/zinc/95/32/08/910953208.db2.gz OROUPXANXPDJOI-FDDCHVKYSA-N 0 3 395.547 3.902 20 10 GHCDHN COC(=O)c1coc([C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000774209646 911495175 /nfs/dbraw/zinc/49/51/75/911495175.db2.gz NUMXRSPKCPCXKJ-ZFWWWQNUSA-N 0 3 394.418 3.987 20 10 GHCDHN COc1cc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(O)cc1C ZINC000795633178 911500910 /nfs/dbraw/zinc/50/09/10/911500910.db2.gz DLJZBRXCSGICML-NRFANRHFSA-N 0 3 396.531 3.813 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000774486752 911792146 /nfs/dbraw/zinc/79/21/46/911792146.db2.gz YKHLVDKLRCHFEN-HOTGVXAUSA-N 0 3 383.492 3.592 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c2cc(F)ccc2n1C ZINC001182917864 912146350 /nfs/dbraw/zinc/14/63/50/912146350.db2.gz DFIZQTFAYMGLKZ-QRWLVFNGSA-N 0 3 388.483 3.885 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291009293 914912316 /nfs/dbraw/zinc/91/23/16/914912316.db2.gz ARMORCARCGWURR-CYBMUJFWSA-N 0 3 389.883 3.825 20 10 GHCDHN CCc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775260919 916705064 /nfs/dbraw/zinc/70/50/64/916705064.db2.gz RIQVRMUDWQZLJA-OALUTQOASA-N 0 3 395.547 3.614 20 10 GHCDHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000775410859 917553589 /nfs/dbraw/zinc/55/35/89/917553589.db2.gz NGZBXPWDIPECNR-XLIONFOSSA-N 0 3 383.511 3.981 20 10 GHCDHN COc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1F ZINC000800239905 919754440 /nfs/dbraw/zinc/75/44/40/919754440.db2.gz PKDQFMQONAVDGW-QGZVFWFLSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H](C)C2CC2)c(OC)c1 ZINC000800859984 920538540 /nfs/dbraw/zinc/53/85/40/920538540.db2.gz YOHULVPEEQNXLQ-SPLOXXLWSA-N 0 3 399.487 3.636 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H](C)C2CC2)c(OC)c1 ZINC000800859984 920538559 /nfs/dbraw/zinc/53/85/59/920538559.db2.gz YOHULVPEEQNXLQ-SPLOXXLWSA-N 0 3 399.487 3.636 20 10 GHCDHN CN(C)C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(Cl)cc1 ZINC000802244375 921948911 /nfs/dbraw/zinc/94/89/11/921948911.db2.gz OELBQYCBKOVKTQ-HNNXBMFYSA-N 0 3 398.985 3.881 20 10 GHCDHN COc1cc(Br)cc(CN2CCC([C@H]3CCCCO3)CC2)c1O ZINC000827376876 925383974 /nfs/dbraw/zinc/38/39/74/925383974.db2.gz JVSLBNCLKBXBCG-MRXNPFEDSA-N 0 3 384.314 3.944 20 10 GHCDHN CC(C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@]1(O)CCCOC1 ZINC000827594497 925820361 /nfs/dbraw/zinc/82/03/61/925820361.db2.gz GXWZYZIIJSYRLV-HSZRJFAPSA-N 0 3 385.504 3.629 20 10 GHCDHN COC1CCN(CCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000751058606 928005552 /nfs/dbraw/zinc/00/55/52/928005552.db2.gz LCPKZXUNPHJQNQ-UHFFFAOYSA-N 0 3 389.927 3.588 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1coc2ccccc21 ZINC000924725450 931516339 /nfs/dbraw/zinc/51/63/39/931516339.db2.gz GMTYUAXCTZDREG-AEFFLSMTSA-N 0 3 377.488 3.985 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cc2Cl)C1 ZINC000799938658 933177865 /nfs/dbraw/zinc/17/78/65/933177865.db2.gz DMURZNJDSBODJK-RDJZCZTQSA-N 0 3 390.959 3.612 20 10 GHCDHN COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C(=O)[O-])ccc3[O-])CC2)cc1 ZINC001599562599 998228021 /nfs/dbraw/zinc/22/80/21/998228021.db2.gz HJGHFFPNFQOQNO-MRXNPFEDSA-N 0 3 398.503 3.662 20 10 GHCDHN COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000834905841 1021658429 /nfs/dbraw/zinc/65/84/29/1021658429.db2.gz VCWLJQMWGWSYTA-KGLIPLIRSA-N 0 3 394.309 3.665 20 10 GHCDHN CCOc1ccc(CN2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)cc1 ZINC000835199686 1021958491 /nfs/dbraw/zinc/95/84/91/1021958491.db2.gz SFMKOMKVIJSZLQ-UHFFFAOYSA-N 0 3 377.488 3.657 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cccc4ccncc43)CC2)cc1 ZINC001140648727 1022153488 /nfs/dbraw/zinc/15/34/88/1022153488.db2.gz LMQUQOKBSOXVEJ-UHFFFAOYSA-N 0 3 377.488 3.582 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CC1)OCc1ccccc12 ZINC001140661940 1022197853 /nfs/dbraw/zinc/19/78/53/1022197853.db2.gz YTELOSPTLVHYSN-UHFFFAOYSA-N 0 3 382.479 3.684 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC(C)C)c1cccs1)cc2=O ZINC000754294602 1022590425 /nfs/dbraw/zinc/59/04/25/1022590425.db2.gz ZWFLUFWGIGSPFY-OAHLLOKOSA-N 0 3 388.493 3.550 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140856159 1022711302 /nfs/dbraw/zinc/71/13/02/1022711302.db2.gz RYLANILXMBIHBY-QZTJIDSGSA-N 0 3 395.519 3.676 20 10 GHCDHN COc1cc(C)cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC000754738800 1022871913 /nfs/dbraw/zinc/87/19/13/1022871913.db2.gz GIMHPMQWNMSHJK-SJORKVTESA-N 0 3 376.497 3.683 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c([O-])c1 ZINC001140950511 1022973211 /nfs/dbraw/zinc/97/32/11/1022973211.db2.gz WRJMZSLPHDPVGS-DEOSSOPVSA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c([O-])c1 ZINC001140950511 1022973215 /nfs/dbraw/zinc/97/32/15/1022973215.db2.gz WRJMZSLPHDPVGS-DEOSSOPVSA-N 0 3 387.483 3.832 20 10 GHCDHN CCC(=O)N(c1ccccc1)C1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141031499 1023297059 /nfs/dbraw/zinc/29/70/59/1023297059.db2.gz HDQUGAOQSDAOOC-UHFFFAOYSA-N 0 3 398.503 3.817 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c(OC)c1 ZINC001141031803 1023298674 /nfs/dbraw/zinc/29/86/74/1023298674.db2.gz MCPRLEAMJSJNOL-CABCVRRESA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c(OC)c1 ZINC001141031803 1023298682 /nfs/dbraw/zinc/29/86/82/1023298682.db2.gz MCPRLEAMJSJNOL-CABCVRRESA-N 0 3 394.512 3.535 20 10 GHCDHN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756442164 1023651385 /nfs/dbraw/zinc/65/13/85/1023651385.db2.gz AHIRFMSDJCYYBC-GUYCJALGSA-N 0 3 392.496 3.556 20 10 GHCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756515031 1023693405 /nfs/dbraw/zinc/69/34/05/1023693405.db2.gz KZKJQXFGLCTUDY-DNVCBOLYSA-N 0 3 397.494 3.538 20 10 GHCDHN COc1cc(OC)c(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000756554297 1023711349 /nfs/dbraw/zinc/71/13/49/1023711349.db2.gz ORXGITHFEDGSPF-LRDDRELGSA-N 0 3 375.440 3.938 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756599199 1023729410 /nfs/dbraw/zinc/72/94/10/1023729410.db2.gz XVDITRSNIULNHL-PJSAGSTRSA-N 0 3 381.451 3.508 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654830 1023756597 /nfs/dbraw/zinc/75/65/97/1023756597.db2.gz MORQABKWOLJDRZ-BZSNNMDCSA-N 0 3 396.531 3.986 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000756770621 1023809082 /nfs/dbraw/zinc/80/90/82/1023809082.db2.gz YLIYIYCYXFNBLA-KEMVTONXSA-N 0 3 380.822 3.946 20 10 GHCDHN CC(C)Oc1ncnc2c1CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138216515 1024382870 /nfs/dbraw/zinc/38/28/70/1024382870.db2.gz AKXVOIHSRZIIBF-UHFFFAOYSA-N 0 3 380.536 3.855 20 10 GHCDHN CN1CCCc2cc(CN3CCC(NC(=O)Nc4ccccc4)CC3)ccc21 ZINC001138359620 1024723598 /nfs/dbraw/zinc/72/35/98/1024723598.db2.gz WLTLXWJHWFXNNG-UHFFFAOYSA-N 0 3 378.520 3.855 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(OC)c1 ZINC001138388597 1024763439 /nfs/dbraw/zinc/76/34/39/1024763439.db2.gz ZTAOWVRRIIUTAB-XZOQPEGZSA-N 0 3 394.563 3.785 20 10 GHCDHN COc1cccc(C(=O)C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC001138496566 1024929302 /nfs/dbraw/zinc/92/93/02/1024929302.db2.gz UEVJGDJQBIRWQN-UHFFFAOYSA-N 0 3 394.515 3.627 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cc(C3CC3)ccc2F)N(C)C)cc1 ZINC001229059296 1033254527 /nfs/dbraw/zinc/25/45/27/1033254527.db2.gz FTTDEROAALWYSF-JOCHJYFZSA-N 0 3 398.526 3.871 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc4c(c3)NC(=S)C4)CC2)cc1 ZINC001164335684 1026488962 /nfs/dbraw/zinc/48/89/62/1026488962.db2.gz GJTUFLUDLUICCN-UHFFFAOYSA-N 0 3 396.560 3.615 20 10 GHCDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001139628312 1026495675 /nfs/dbraw/zinc/49/56/75/1026495675.db2.gz WKTAGMNBLHABLP-NRFANRHFSA-N 0 3 381.520 3.771 20 10 GHCDHN Cc1cc(CN2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1N(C)C ZINC001139674021 1026528475 /nfs/dbraw/zinc/52/84/75/1026528475.db2.gz KXBAADCHANMPMX-OAHLLOKOSA-N 0 3 380.414 3.523 20 10 GHCDHN O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140053936 1026832396 /nfs/dbraw/zinc/83/23/96/1026832396.db2.gz FRCIBKKBAXLHNB-UHFFFAOYSA-N 0 3 380.463 3.822 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001140054245 1026833769 /nfs/dbraw/zinc/83/37/69/1026833769.db2.gz NJYOBDBWCBYSNY-LJQANCHMSA-N 0 3 377.410 3.664 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001140054245 1026833777 /nfs/dbraw/zinc/83/37/77/1026833777.db2.gz NJYOBDBWCBYSNY-LJQANCHMSA-N 0 3 377.410 3.664 20 10 GHCDHN Cc1ccc(C)c(CN(C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC001140181450 1026954279 /nfs/dbraw/zinc/95/42/79/1026954279.db2.gz BQNPJTXFVXXKQV-UHFFFAOYSA-N 0 3 390.524 3.609 20 10 GHCDHN Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2c(C)ccc(C)c2O)cs1 ZINC001140181898 1026955363 /nfs/dbraw/zinc/95/53/63/1026955363.db2.gz ZATBEPIEJNXJSE-QKNQBKEWSA-N 0 3 388.533 3.723 20 10 GHCDHN O=C(Nc1ccccc1)c1nc2c(s1)CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001203552320 1027430430 /nfs/dbraw/zinc/43/04/30/1027430430.db2.gz JHCLCAUEGNSHSE-UHFFFAOYSA-N 0 3 379.485 3.702 20 10 GHCDHN O=C(Nc1ccccc1)c1nc2c(s1)CC[N@H+](Cc1ccccc1[O-])CC2 ZINC001203552320 1027430441 /nfs/dbraw/zinc/43/04/41/1027430441.db2.gz JHCLCAUEGNSHSE-UHFFFAOYSA-N 0 3 379.485 3.702 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203620620 1027481879 /nfs/dbraw/zinc/48/18/79/1027481879.db2.gz GMVPLCVMMXOCLM-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203620620 1027481897 /nfs/dbraw/zinc/48/18/97/1027481897.db2.gz GMVPLCVMMXOCLM-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN O=C(c1ccccc1)N1CCC(C2CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203878450 1027676078 /nfs/dbraw/zinc/67/60/78/1027676078.db2.gz GWUHQEQHIAOJFC-UHFFFAOYSA-N 0 3 394.515 3.862 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)cc1 ZINC001203934086 1027726448 /nfs/dbraw/zinc/72/64/48/1027726448.db2.gz UIPUANMWMLFFIQ-QFIPXVFZSA-N 0 3 377.532 3.591 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000840973864 1028013457 /nfs/dbraw/zinc/01/34/57/1028013457.db2.gz PYYMSJVZAKROKW-INIZCTEOSA-N 0 3 383.458 3.748 20 10 GHCDHN Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nc1 ZINC001461401899 1069535445 /nfs/dbraw/zinc/53/54/45/1069535445.db2.gz SGTUHXSIOPUMFA-FQEVSTJZSA-N 0 3 384.524 3.812 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC000842742211 1029550847 /nfs/dbraw/zinc/55/08/47/1029550847.db2.gz LKBMVNUQEXRCIP-QGZVFWFLSA-N 0 3 385.382 3.903 20 10 GHCDHN CCCc1nc(C)c(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001216754730 1029920294 /nfs/dbraw/zinc/92/02/94/1029920294.db2.gz IGUFYMIDQHGHLY-QGZVFWFLSA-N 0 3 389.569 3.894 20 10 GHCDHN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)CNCCO4)c2C)cc1 ZINC000843477913 1030033285 /nfs/dbraw/zinc/03/32/85/1030033285.db2.gz CCPGCVBZPRLCPI-UHFFFAOYSA-N 0 3 391.471 3.837 20 10 GHCDHN CN1CC[C@]2(CCC[N@@H+]2Cc2c([O-])ccc3cc(Br)ccc32)C1=O ZINC001277015943 1031220904 /nfs/dbraw/zinc/22/09/04/1031220904.db2.gz JEXUAYZJGFOBCY-LJQANCHMSA-N 0 3 389.293 3.505 20 10 GHCDHN CN1CC[C@]2(CCC[N@H+]2Cc2c([O-])ccc3cc(Br)ccc32)C1=O ZINC001277015943 1031220911 /nfs/dbraw/zinc/22/09/11/1031220911.db2.gz JEXUAYZJGFOBCY-LJQANCHMSA-N 0 3 389.293 3.505 20 10 GHCDHN COC(=O)c1c(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c2cc(F)ccc2n1C ZINC001205270209 1033334567 /nfs/dbraw/zinc/33/45/67/1033334567.db2.gz UMVIEQAPENXKSG-ROUUACIJSA-N 0 3 376.472 3.786 20 10 GHCDHN CC(C)c1scnc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001205876418 1033616248 /nfs/dbraw/zinc/61/62/48/1033616248.db2.gz BLECKISNJMLUCQ-INIZCTEOSA-N 0 3 375.542 3.757 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1F ZINC001230456400 1034069746 /nfs/dbraw/zinc/06/97/46/1034069746.db2.gz FMDNFSCIFIZJKI-RTWAWAEBSA-N 0 3 386.515 3.945 20 10 GHCDHN CCN1C(=O)CCC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231468005 1034612372 /nfs/dbraw/zinc/61/23/72/1034612372.db2.gz RIMAJKIACYPILO-UHFFFAOYSA-N 0 3 394.515 3.948 20 10 GHCDHN CC(C)(C(N)=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231470349 1034615579 /nfs/dbraw/zinc/61/55/79/1034615579.db2.gz VGWNEWCQVGPTTL-UHFFFAOYSA-N 0 3 382.504 3.695 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]2c1ccc(O)cc1 ZINC001207894737 1034641541 /nfs/dbraw/zinc/64/15/41/1034641541.db2.gz VTOBBTGPYKSOBG-MAUKXSAKSA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+](C[C@@H]1CCCO1)C[C@@H]2c1ccc(O)cc1 ZINC001207894737 1034641549 /nfs/dbraw/zinc/64/15/49/1034641549.db2.gz VTOBBTGPYKSOBG-MAUKXSAKSA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001231587677 1034742957 /nfs/dbraw/zinc/74/29/57/1034742957.db2.gz OEEYOJKCRNVWRC-SFHVURJKSA-N 0 3 377.488 3.801 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001231587677 1034742966 /nfs/dbraw/zinc/74/29/66/1034742966.db2.gz OEEYOJKCRNVWRC-SFHVURJKSA-N 0 3 377.488 3.801 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c(O)c1 ZINC001231844851 1034938477 /nfs/dbraw/zinc/93/84/77/1034938477.db2.gz OJQSLYJTJYLQAI-YRISNDGFSA-N 0 3 388.533 3.662 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)ccc2ccccc21 ZINC001231881077 1034964965 /nfs/dbraw/zinc/96/49/65/1034964965.db2.gz TXTNXUYRROBAEB-WMTXJRDZSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)ccc2ccccc21 ZINC001231881077 1034964970 /nfs/dbraw/zinc/96/49/70/1034964970.db2.gz TXTNXUYRROBAEB-WMTXJRDZSA-N 0 3 390.483 3.889 20 10 GHCDHN CC(C)COc1cncc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160622199 1035018418 /nfs/dbraw/zinc/01/84/18/1035018418.db2.gz AXPVFIUSSKTROB-FGZHOGPDSA-N 0 3 394.475 3.776 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ncc(F)c2cc[nH]c21)c1ccccc1O ZINC001160622405 1035018434 /nfs/dbraw/zinc/01/84/34/1035018434.db2.gz FHXLTRWKNSYTHQ-RTBURBONSA-N 0 3 378.407 3.966 20 10 GHCDHN CCSc1cncc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160623119 1035018464 /nfs/dbraw/zinc/01/84/64/1035018464.db2.gz FWRPDZKWCDUZMV-WOJBJXKFSA-N 0 3 382.489 3.853 20 10 GHCDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1C ZINC001232204350 1035160038 /nfs/dbraw/zinc/16/00/38/1035160038.db2.gz LKMZTINIEYKTOT-FUHWJXTLSA-N 0 3 394.943 3.588 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@@H]3CCC[C@@H]32)c1O ZINC001248400914 1035814321 /nfs/dbraw/zinc/81/43/21/1035814321.db2.gz FLFHAXGLABVNBI-FZMZJTMJSA-N 0 3 387.261 3.770 20 10 GHCDHN COC(=O)c1c(CN[C@H](C)c2cc(OC)ccc2O)c2cc(F)ccc2n1C ZINC001462211101 1070086716 /nfs/dbraw/zinc/08/67/16/1070086716.db2.gz UMMPLMMPYUPNIF-GFCCVEGCSA-N 0 3 386.423 3.669 20 10 GHCDHN CN(C)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c1 ZINC001232835117 1038587681 /nfs/dbraw/zinc/58/76/81/1038587681.db2.gz WMYLTMPWOQBVTP-UHFFFAOYSA-N 0 3 379.426 3.799 20 10 GHCDHN Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccc(N(C)C)cc3O)CC1)O2 ZINC001232840463 1038590686 /nfs/dbraw/zinc/59/06/86/1038590686.db2.gz ANXSEBGUNYKKDA-UHFFFAOYSA-N 0 3 380.488 3.767 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014393 1038769092 /nfs/dbraw/zinc/76/90/92/1038769092.db2.gz SLDQHWDJBYGCAX-NRFANRHFSA-N 0 3 392.496 3.559 20 10 GHCDHN Oc1cc(CN2CCC[C@H]2Cc2ccc(Br)cc2)cc(O)c1O ZINC001233017877 1038770132 /nfs/dbraw/zinc/77/01/32/1038770132.db2.gz LDYRDTMFNBPTLW-HNNXBMFYSA-N 0 3 378.266 3.773 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@@H](Oc3cccnc3)C2)c1O ZINC001233110870 1038901790 /nfs/dbraw/zinc/90/17/90/1038901790.db2.gz UMQBPTXIMSYZJU-QGZVFWFLSA-N 0 3 377.282 3.902 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c1O ZINC001233110798 1038901999 /nfs/dbraw/zinc/90/19/99/1038901999.db2.gz RTZKJACHUVZWRV-IBGZPJMESA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c1[O-] ZINC001233110798 1038902008 /nfs/dbraw/zinc/90/20/08/1038902008.db2.gz RTZKJACHUVZWRV-IBGZPJMESA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c1[O-] ZINC001233110798 1038902010 /nfs/dbraw/zinc/90/20/10/1038902010.db2.gz RTZKJACHUVZWRV-IBGZPJMESA-N 0 3 395.341 3.686 20 10 GHCDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233199261 1038964959 /nfs/dbraw/zinc/96/49/59/1038964959.db2.gz YNZIARBVSXSJJS-IAISJRAMSA-N 0 3 390.277 3.834 20 10 GHCDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233199261 1038964962 /nfs/dbraw/zinc/96/49/62/1038964962.db2.gz YNZIARBVSXSJJS-IAISJRAMSA-N 0 3 390.277 3.834 20 10 GHCDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233199261 1038964966 /nfs/dbraw/zinc/96/49/66/1038964966.db2.gz YNZIARBVSXSJJS-IAISJRAMSA-N 0 3 390.277 3.834 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1[O-] ZINC001233288205 1039069068 /nfs/dbraw/zinc/06/90/68/1039069068.db2.gz BQGJDWGITRBTKG-QGZVFWFLSA-N 0 3 381.900 3.604 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1O ZINC001233288205 1039069085 /nfs/dbraw/zinc/06/90/85/1039069085.db2.gz BQGJDWGITRBTKG-QGZVFWFLSA-N 0 3 381.900 3.604 20 10 GHCDHN CC[C@](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])(C(=O)OC)c1ccccc1 ZINC001462333457 1070179233 /nfs/dbraw/zinc/17/92/33/1070179233.db2.gz OKLADAIIHQCILS-HXUWFJFHSA-N 0 3 377.868 3.665 20 10 GHCDHN Oc1c(CN2CCN(CCOc3ccccc3)CC2)cccc1C(F)(F)F ZINC001233418228 1039279036 /nfs/dbraw/zinc/27/90/36/1039279036.db2.gz YFQHHGKDDQAPGT-UHFFFAOYSA-N 0 3 380.410 3.608 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCCC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233483229 1039380738 /nfs/dbraw/zinc/38/07/38/1039380738.db2.gz RHTFCVGPJTUOBR-UHFFFAOYSA-N 0 3 392.496 3.559 20 10 GHCDHN CC(C)OCCN(CCOC(C)C)Cc1cccc(OC(F)(F)F)c1O ZINC001233755192 1039592281 /nfs/dbraw/zinc/59/22/81/1039592281.db2.gz RRCQNCNTBSPNHJ-UHFFFAOYSA-N 0 3 379.419 3.943 20 10 GHCDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c(C)o1 ZINC001254010717 1039951410 /nfs/dbraw/zinc/95/14/10/1039951410.db2.gz KYNDKTHPSINKSK-UHFFFAOYSA-N 0 3 381.520 3.891 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC001462418752 1070240194 /nfs/dbraw/zinc/24/01/94/1070240194.db2.gz ALJWKEMIWFPZKS-HNNXBMFYSA-N 0 3 395.381 3.991 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(C3)c3ccccc3N(C)C4=O)c2c1 ZINC001234544022 1040115489 /nfs/dbraw/zinc/11/54/89/1040115489.db2.gz CODDFMIRZZCILE-DEOSSOPVSA-N 0 3 388.467 3.674 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(C3)c3ccccc3N(C)C4=O)c2c1 ZINC001234544022 1040115493 /nfs/dbraw/zinc/11/54/93/1040115493.db2.gz CODDFMIRZZCILE-DEOSSOPVSA-N 0 3 388.467 3.674 20 10 GHCDHN CCN1CCN(c2ccc(OC[C@H]3CCC(c4ccccc4)=NO3)cc2)CC1 ZINC001234660696 1040195858 /nfs/dbraw/zinc/19/58/58/1040195858.db2.gz KPXHSBCCNOOGBK-JOCHJYFZSA-N 0 3 379.504 3.791 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248669 1040730112 /nfs/dbraw/zinc/73/01/12/1040730112.db2.gz ACQKDFMSWCQXKK-UYAOXDASSA-N 0 3 387.321 3.876 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235677764 1041138764 /nfs/dbraw/zinc/13/87/64/1041138764.db2.gz HQNRCPAOSGCHBB-SFHVURJKSA-N 0 3 376.541 3.585 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235677764 1041138783 /nfs/dbraw/zinc/13/87/83/1041138783.db2.gz HQNRCPAOSGCHBB-SFHVURJKSA-N 0 3 376.541 3.585 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c([O-])c1 ZINC001235678733 1041140657 /nfs/dbraw/zinc/14/06/57/1041140657.db2.gz IXWAMCJFAKDMCN-ZJSXRUAMSA-N 0 3 396.531 3.750 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c([O-])c1 ZINC001235678733 1041140670 /nfs/dbraw/zinc/14/06/70/1041140670.db2.gz IXWAMCJFAKDMCN-ZJSXRUAMSA-N 0 3 396.531 3.750 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679516 1041140756 /nfs/dbraw/zinc/14/07/56/1041140756.db2.gz PGTOHTTVTCQBJC-RDPSFJRHSA-N 0 3 393.531 3.613 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([O-])c1 ZINC001235679516 1041140761 /nfs/dbraw/zinc/14/07/61/1041140761.db2.gz PGTOHTTVTCQBJC-RDPSFJRHSA-N 0 3 393.531 3.613 20 10 GHCDHN Cc1cc(CN2CCN[C@@H](c3cccc(Br)c3)C2)ccc1N(C)C ZINC001235794314 1041292091 /nfs/dbraw/zinc/29/20/91/1041292091.db2.gz UZFPJNGETGTYKH-LJQANCHMSA-N 0 3 388.353 3.970 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)c([O-])c1 ZINC001236786530 1041892970 /nfs/dbraw/zinc/89/29/70/1041892970.db2.gz GKMIZUGGMPFDDO-XMMPIXPASA-N 0 3 394.515 3.588 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)c([O-])c1 ZINC001236786530 1041892978 /nfs/dbraw/zinc/89/29/78/1041892978.db2.gz GKMIZUGGMPFDDO-XMMPIXPASA-N 0 3 394.515 3.588 20 10 GHCDHN CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c([O-])c1 ZINC001236790289 1041895311 /nfs/dbraw/zinc/89/53/11/1041895311.db2.gz VGKDJNPYCXAPIA-QIDMFYOTSA-N 0 3 398.572 3.833 20 10 GHCDHN CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c([O-])c1 ZINC001236790289 1041895316 /nfs/dbraw/zinc/89/53/16/1041895316.db2.gz VGKDJNPYCXAPIA-QIDMFYOTSA-N 0 3 398.572 3.833 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(C3CN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001236807188 1041907794 /nfs/dbraw/zinc/90/77/94/1041907794.db2.gz DLFSYPFYNUIYMB-UHFFFAOYSA-N 0 3 390.524 3.788 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236807732 1041908621 /nfs/dbraw/zinc/90/86/21/1041908621.db2.gz KGFOUFVOORAUOU-OAQYLSRUSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236807732 1041908624 /nfs/dbraw/zinc/90/86/24/1041908624.db2.gz KGFOUFVOORAUOU-OAQYLSRUSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)CC(=O)N(C)c2ccccc23)c([O-])c1 ZINC001236808776 1041909842 /nfs/dbraw/zinc/90/98/42/1041909842.db2.gz BXGHFPSTCZIXSO-UHFFFAOYSA-N 0 3 380.488 3.610 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001236828784 1041919721 /nfs/dbraw/zinc/91/97/21/1041919721.db2.gz FVAXMWUTMFIKCQ-DEOSSOPVSA-N 0 3 389.499 3.812 20 10 GHCDHN CC1CC([N@H+](C)Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236845817 1041926129 /nfs/dbraw/zinc/92/61/29/1041926129.db2.gz JGPCNWCEYWOGPS-UHFFFAOYSA-N 0 3 376.497 3.752 20 10 GHCDHN CC1CC([N@@H+](C)Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236845817 1041926131 /nfs/dbraw/zinc/92/61/31/1041926131.db2.gz JGPCNWCEYWOGPS-UHFFFAOYSA-N 0 3 376.497 3.752 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c([O-])c1 ZINC001237047988 1042006972 /nfs/dbraw/zinc/00/69/72/1042006972.db2.gz GUQUJXKFJPUZSM-HXUWFJFHSA-N 0 3 379.504 3.549 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)c([O-])c1 ZINC001237048153 1042008004 /nfs/dbraw/zinc/00/80/04/1042008004.db2.gz QGRAHXAAVLFYGT-UHFFFAOYSA-N 0 3 399.491 3.586 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237048272 1042008437 /nfs/dbraw/zinc/00/84/37/1042008437.db2.gz IZWBDQSIDUGYSH-DEOSSOPVSA-N 0 3 393.531 3.925 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237048272 1042008444 /nfs/dbraw/zinc/00/84/44/1042008444.db2.gz IZWBDQSIDUGYSH-DEOSSOPVSA-N 0 3 393.531 3.925 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCc3nc(C(=O)N4CCCC4)sc3CC2)c([O-])c1 ZINC001237051860 1042010713 /nfs/dbraw/zinc/01/07/13/1042010713.db2.gz OBZXDXVCSQDTTI-UHFFFAOYSA-N 0 3 399.560 3.809 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCc3nc(C(=O)N4CCCC4)sc3CC2)c([O-])c1 ZINC001237051860 1042010719 /nfs/dbraw/zinc/01/07/19/1042010719.db2.gz OBZXDXVCSQDTTI-UHFFFAOYSA-N 0 3 399.560 3.809 20 10 GHCDHN C[N@H+](CCCC(=O)c1cccnc1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237056916 1042013369 /nfs/dbraw/zinc/01/33/69/1042013369.db2.gz PVWIRRFYTZFKNE-UHFFFAOYSA-N 0 3 382.382 3.823 20 10 GHCDHN C[N@@H+](CCCC(=O)c1cccnc1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237056916 1042013373 /nfs/dbraw/zinc/01/33/73/1042013373.db2.gz PVWIRRFYTZFKNE-UHFFFAOYSA-N 0 3 382.382 3.823 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)Oc2ccccc21 ZINC001237490690 1042233170 /nfs/dbraw/zinc/23/31/70/1042233170.db2.gz ZOGVZFBWAFNFHP-GOSISDBHSA-N 0 3 394.515 3.738 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1Br ZINC001237677401 1042318588 /nfs/dbraw/zinc/31/85/88/1042318588.db2.gz MOZYMEUJPDUFMF-ABAIWWIYSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1Br ZINC001237677401 1042318593 /nfs/dbraw/zinc/31/85/93/1042318593.db2.gz MOZYMEUJPDUFMF-ABAIWWIYSA-N 0 3 396.247 3.988 20 10 GHCDHN COC(=O)[C@H]1CCN(Cc2cc(OC)cc(OC)c2O)[C@H](c2ccccc2)C1 ZINC001237681059 1042321808 /nfs/dbraw/zinc/32/18/08/1042321808.db2.gz NYYNQLXDJZPHFI-LPHOPBHVSA-N 0 3 385.460 3.536 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)c(C)cc2[O-])C[C@@H]1C ZINC001237686582 1042326762 /nfs/dbraw/zinc/32/67/62/1042326762.db2.gz VHZIEJCKPFDANI-UONOGXRCSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C[C@@H]1C ZINC001237686582 1042326773 /nfs/dbraw/zinc/32/67/73/1042326773.db2.gz VHZIEJCKPFDANI-UONOGXRCSA-N 0 3 384.314 3.874 20 10 GHCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941645 1042431603 /nfs/dbraw/zinc/43/16/03/1042431603.db2.gz ZXGNHGCLAJYGCV-SNVBAGLBSA-N 0 3 391.752 3.647 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1[O-] ZINC001238059855 1042478905 /nfs/dbraw/zinc/47/89/05/1042478905.db2.gz FDLQCFHSEZGVFZ-HSZRJFAPSA-N 0 3 380.463 3.740 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c1[O-] ZINC001238059855 1042478906 /nfs/dbraw/zinc/47/89/06/1042478906.db2.gz FDLQCFHSEZGVFZ-HSZRJFAPSA-N 0 3 380.463 3.740 20 10 GHCDHN C[C@H](Cc1ccncc1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001256749103 1043647554 /nfs/dbraw/zinc/64/75/54/1043647554.db2.gz ATUMCXUEIGJRFB-HXUWFJFHSA-N 0 3 388.515 3.809 20 10 GHCDHN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463287070 1070964147 /nfs/dbraw/zinc/96/41/47/1070964147.db2.gz XORGOLAIMIRZNX-QGZVFWFLSA-N 0 3 394.441 3.508 20 10 GHCDHN CCCOc1ccc(C(C)(C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001307716536 1049531732 /nfs/dbraw/zinc/53/17/32/1049531732.db2.gz MDOAWDQOMBCZSQ-UHFFFAOYSA-N 0 3 383.536 3.683 20 10 GHCDHN CN(C)c1cc(F)c(CNC[C@@](C)(O)c2ccccc2Br)cc1F ZINC001308385461 1049963767 /nfs/dbraw/zinc/96/37/67/1049963767.db2.gz NBSHDCKLQPRSAA-GOSISDBHSA-N 0 3 399.279 3.791 20 10 GHCDHN CN(C)c1cc(F)c(CNCC2(NC(=O)OC(C)(C)C)CCCC2)cc1F ZINC001308459929 1049981091 /nfs/dbraw/zinc/98/10/91/1049981091.db2.gz YEFVEMQKERURQO-UHFFFAOYSA-N 0 3 383.483 3.958 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC001308500916 1049991737 /nfs/dbraw/zinc/99/17/37/1049991737.db2.gz GHFVPWXHJPKJRM-JOCHJYFZSA-N 0 3 377.532 3.814 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001308874736 1050133353 /nfs/dbraw/zinc/13/33/53/1050133353.db2.gz JXYYGRJLGFXTQR-GOSISDBHSA-N 0 3 399.329 3.952 20 10 GHCDHN Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1N(C)C ZINC001310083818 1051143116 /nfs/dbraw/zinc/14/31/16/1051143116.db2.gz DCDYYLXAGKXMLG-NRFANRHFSA-N 0 3 383.540 3.551 20 10 GHCDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311578781 1052260743 /nfs/dbraw/zinc/26/07/43/1052260743.db2.gz UBGAPPASNAKTMR-JOCHJYFZSA-N 0 3 392.547 3.703 20 10 GHCDHN O=C1OCCN1c1cccc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001337042032 1052383965 /nfs/dbraw/zinc/38/39/65/1052383965.db2.gz GEOVRMWIKOIINL-UHFFFAOYSA-N 0 3 377.488 3.802 20 10 GHCDHN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001312966053 1052922582 /nfs/dbraw/zinc/92/25/82/1052922582.db2.gz BCSCMLBJCPEJTI-BHDDXSALSA-N 0 3 380.536 3.519 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(c3ccccc3F)CCC2)N(C)C)cc1 ZINC001313413011 1053046780 /nfs/dbraw/zinc/04/67/80/1053046780.db2.gz LFCOUGQQFTVTMI-OAQYLSRUSA-N 0 3 398.526 3.873 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2ccc(F)c(F)c2)CC1 ZINC001200706578 1056776810 /nfs/dbraw/zinc/77/68/10/1056776810.db2.gz RULNIMUMCKDAEX-UHFFFAOYSA-N 0 3 377.460 3.621 20 10 GHCDHN CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001324471702 1057142523 /nfs/dbraw/zinc/14/25/23/1057142523.db2.gz AMIQXGYMTJNBKS-QFIPXVFZSA-N 0 3 394.515 3.861 20 10 GHCDHN COc1ccc(CN[C@H](C)c2cc(Br)cc(OC)c2O)cc1O ZINC000848524775 1057149087 /nfs/dbraw/zinc/14/90/87/1057149087.db2.gz HNZHTSLAGKBHJQ-SNVBAGLBSA-N 0 3 382.254 3.728 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)c1[O-] ZINC000848525691 1057149837 /nfs/dbraw/zinc/14/98/37/1057149837.db2.gz SJBARTDVCNHICR-NWDGAFQWSA-N 0 3 382.302 3.655 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1[O-] ZINC000848531053 1057152636 /nfs/dbraw/zinc/15/26/36/1057152636.db2.gz KCWXSJOMNXGPAG-JSGCOSHPSA-N 0 3 380.282 3.590 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000848531712 1057153570 /nfs/dbraw/zinc/15/35/70/1057153570.db2.gz UFOBEDHYMIMFFB-ZUZCIYMTSA-N 0 3 392.297 3.990 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000848536264 1057157314 /nfs/dbraw/zinc/15/73/14/1057157314.db2.gz MRIWVZVKEOCHRL-ADLMAVQZSA-N 0 3 398.272 3.861 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000848536819 1057158412 /nfs/dbraw/zinc/15/84/12/1057158412.db2.gz VQTAOTZAKLSUJN-NXEZZACHSA-N 0 3 383.290 3.817 20 10 GHCDHN CCc1cccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)c1O ZINC000848908669 1057412789 /nfs/dbraw/zinc/41/27/89/1057412789.db2.gz AJIBTGGUHBCMLF-OAQYLSRUSA-N 0 3 381.520 3.733 20 10 GHCDHN Cc1cccc2c(CC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c21 ZINC001439959694 1058365273 /nfs/dbraw/zinc/36/52/73/1058365273.db2.gz GTIFSNBRDNEEEV-NRFANRHFSA-N 0 3 378.520 3.504 20 10 GHCDHN Cc1ccccc1C(F)(F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439961673 1058368508 /nfs/dbraw/zinc/36/85/08/1058368508.db2.gz RWOCYVPPXLDYJS-LJQANCHMSA-N 0 3 375.463 3.572 20 10 GHCDHN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC001449924978 1060485256 /nfs/dbraw/zinc/48/52/56/1060485256.db2.gz FYRCPYWMOXMHNX-IERDGZPVSA-N 0 3 377.492 3.944 20 10 GHCDHN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC[C@H]3CCCCN32)cc1 ZINC001452604657 1060970954 /nfs/dbraw/zinc/97/09/54/1060970954.db2.gz AQVAXKGYBRUJEX-QZTJIDSGSA-N 0 3 383.458 3.660 20 10 GHCDHN CCN(CC)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(OC)c1 ZINC001463914618 1064716148 /nfs/dbraw/zinc/71/61/48/1064716148.db2.gz LBZYXVLCZRTUJH-IBGZPJMESA-N 0 3 397.479 3.671 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@](C)(c3ccccc3)CC2)cc1 ZINC001460098228 1068780542 /nfs/dbraw/zinc/78/05/42/1068780542.db2.gz IBBFZGLGUXGKNO-DEOSSOPVSA-N 0 3 379.548 3.813 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cc3ccccc3o2)N(C)C)cc1 ZINC001471544313 1073124116 /nfs/dbraw/zinc/12/41/16/1073124116.db2.gz LVPMFABILHANRR-NRFANRHFSA-N 0 3 394.519 3.943 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(OC(F)(F)F)cc3)cc2F)CC1 ZINC001473918843 1074202958 /nfs/dbraw/zinc/20/29/58/1074202958.db2.gz FOYUBSBFIAIUKF-UHFFFAOYSA-N 0 3 397.416 3.766 20 10 GHCDHN COc1ccc(CNCc2ccc([Si](C)(C)C)cc2)cc1Cn1cccn1 ZINC001474167145 1074281608 /nfs/dbraw/zinc/28/16/08/1074281608.db2.gz YDAYNSLBGABEEY-UHFFFAOYSA-N 0 3 379.580 3.775 20 10 GHCDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001474522170 1074447954 /nfs/dbraw/zinc/44/79/54/1074447954.db2.gz OJQYLVNPPJYQGO-WMLDXEAASA-N 0 3 376.447 3.541 20 10 GHCDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180767880 837542517 /nfs/dbraw/zinc/54/25/17/837542517.db2.gz OUGXFWYBHGFNEV-YJBOKZPZSA-N 0 3 383.458 3.881 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472287059 834396237 /nfs/dbraw/zinc/39/62/37/834396237.db2.gz OCXUBHRWKGZHEC-HXUWFJFHSA-N 0 3 390.531 3.903 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(CN(C)C)c1 ZINC000175848950 838467163 /nfs/dbraw/zinc/46/71/63/838467163.db2.gz LTQYLIHXGDRMLS-UHFFFAOYSA-N 0 3 391.309 3.879 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(NC(=O)c4ccoc4C)CC3)c2c1 ZINC000066795766 839887461 /nfs/dbraw/zinc/88/74/61/839887461.db2.gz USAXAZZVABYXOD-UHFFFAOYSA-N 0 3 394.471 3.850 20 10 GHCDHN CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000160624515 840131342 /nfs/dbraw/zinc/13/13/42/840131342.db2.gz BQAUGVJSLWKREW-UHFFFAOYSA-N 0 3 380.410 3.896 20 10 GHCDHN COc1ccc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000125386818 841509023 /nfs/dbraw/zinc/50/90/23/841509023.db2.gz ULUOVTLYEYOKID-VFNWGFHPSA-N 0 3 390.911 3.569 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1F ZINC000731346486 861581475 /nfs/dbraw/zinc/58/14/75/861581475.db2.gz WQDDFQZKIPSAAJ-HXUWFJFHSA-N 0 3 398.526 3.595 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000732204080 862146406 /nfs/dbraw/zinc/14/64/06/862146406.db2.gz BSADIRDZNTUGHN-INIZCTEOSA-N 0 3 384.442 3.938 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000732204080 862146416 /nfs/dbraw/zinc/14/64/16/862146416.db2.gz BSADIRDZNTUGHN-INIZCTEOSA-N 0 3 384.442 3.938 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(Br)cc2NC(C)=O)c1 ZINC000894502304 851557212 /nfs/dbraw/zinc/55/72/12/851557212.db2.gz PJVHNQAPSNOHED-NSHDSACASA-N 0 3 393.281 3.973 20 10 GHCDHN COc1cc(C)cc(CN[C@H](CCO)c2cccc(OC(F)(F)F)c2)c1O ZINC000895077685 855545125 /nfs/dbraw/zinc/54/51/25/855545125.db2.gz HLFCYBPAWMSLMQ-MRXNPFEDSA-N 0 3 385.382 3.821 20 10 GHCDHN COc1ccc(N2CCN(CCNc3ccnc4cc(F)ccc43)CC2)cc1 ZINC000733300854 862845002 /nfs/dbraw/zinc/84/50/02/862845002.db2.gz WUSYXWHYIMBJKJ-UHFFFAOYSA-N 0 3 380.467 3.617 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000733334291 862876479 /nfs/dbraw/zinc/87/64/79/862876479.db2.gz FBAIJNYRBQSJFB-FQEVSTJZSA-N 0 3 396.922 3.986 20 10 GHCDHN CCOc1ccccc1[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765252830 859868076 /nfs/dbraw/zinc/86/80/76/859868076.db2.gz JEFQTPKTEJXLHZ-PKOBYXMFSA-N 0 3 381.520 3.638 20 10 GHCDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765253722 859868152 /nfs/dbraw/zinc/86/81/52/859868152.db2.gz LKLNPXSUDHJVAW-MJGOQNOKSA-N 0 3 381.520 3.556 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnc2ccsc2c1 ZINC000765257127 859875006 /nfs/dbraw/zinc/87/50/06/859875006.db2.gz WPGSBZHSVMTZOP-DOTOQJQBSA-N 0 3 394.544 3.849 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccs1 ZINC000765280294 859887057 /nfs/dbraw/zinc/88/70/57/859887057.db2.gz JNMQYPFYFTVRQP-INIZCTEOSA-N 0 3 397.523 3.855 20 10 GHCDHN CN(C)c1ccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000155184842 881671303 /nfs/dbraw/zinc/67/13/03/881671303.db2.gz TVANGMXMGFJMCM-UHFFFAOYSA-N 0 3 379.464 3.693 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1O ZINC000897265483 865026238 /nfs/dbraw/zinc/02/62/38/865026238.db2.gz HOWMVJREELFSFQ-KRWDZBQOSA-N 0 3 389.879 3.905 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000184992155 865099714 /nfs/dbraw/zinc/09/97/14/865099714.db2.gz SOPCTQLMVZQALX-LAUBAEHRSA-N 0 3 376.500 3.615 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3cccc4c3OC(C)(C)C4)cc2F)CC1 ZINC000738429743 865540006 /nfs/dbraw/zinc/54/00/06/865540006.db2.gz GBEPRZGJKSINBW-UHFFFAOYSA-N 0 3 397.538 3.971 20 10 GHCDHN Cc1ccc(O)c(CNCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000174445899 865804088 /nfs/dbraw/zinc/80/40/88/865804088.db2.gz UXJNJRCGPWMBQF-UHFFFAOYSA-N 0 3 398.484 3.581 20 10 GHCDHN CC(=O)N1CC[C@H](NCc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000857075781 881989301 /nfs/dbraw/zinc/98/93/01/881989301.db2.gz IDCNWWYRUBPUSS-NRFANRHFSA-N 0 3 381.545 3.827 20 10 GHCDHN Cn1nc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 ZINC000742384709 867251963 /nfs/dbraw/zinc/25/19/63/867251963.db2.gz JQOYAXCBYZGMEW-OAHLLOKOSA-N 0 3 386.446 3.933 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(O)(Cc3cccc(C)c3)CC2)c1O ZINC000793321390 882098665 /nfs/dbraw/zinc/09/86/65/882098665.db2.gz CIIWYUIYABPXGH-UHFFFAOYSA-N 0 3 375.896 3.932 20 10 GHCDHN CCOc1c(Br)cc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1OC ZINC000793386046 882159628 /nfs/dbraw/zinc/15/96/28/882159628.db2.gz IDJNGXSVFVBQPK-UHFFFAOYSA-N 0 3 396.281 3.860 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000743869881 868467057 /nfs/dbraw/zinc/46/70/57/868467057.db2.gz DKQDIMOEYMRHIM-MRXNPFEDSA-N 0 3 384.476 3.726 20 10 GHCDHN CC(C)Cc1nnc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000766892126 872061666 /nfs/dbraw/zinc/06/16/66/872061666.db2.gz MGNSUEIWOWDDFM-UHFFFAOYSA-N 0 3 388.537 3.826 20 10 GHCDHN CCN(c1ccc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)cc1)C(C)C ZINC000182382214 872276808 /nfs/dbraw/zinc/27/68/08/872276808.db2.gz RXPBVTVTKDABDI-INIZCTEOSA-N 0 3 385.508 3.925 20 10 GHCDHN CCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(OC)c(OC)c1 ZINC000768204416 873140924 /nfs/dbraw/zinc/14/09/24/873140924.db2.gz YAGSKHIUYURHER-UHFFFAOYSA-N 0 3 388.483 3.702 20 10 GHCDHN COc1ccc(OCC[N@H+](C)Cc2cc(Br)cc(OC)c2[O-])cc1 ZINC000768196296 873162971 /nfs/dbraw/zinc/16/29/71/873162971.db2.gz AEBUORMKQIUPDU-UHFFFAOYSA-N 0 3 396.281 3.683 20 10 GHCDHN COc1ccc(OCC[N@@H+](C)Cc2cc(Br)cc(OC)c2[O-])cc1 ZINC000768196296 873162978 /nfs/dbraw/zinc/16/29/78/873162978.db2.gz AEBUORMKQIUPDU-UHFFFAOYSA-N 0 3 396.281 3.683 20 10 GHCDHN O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000768248931 873187851 /nfs/dbraw/zinc/18/78/51/873187851.db2.gz KOJBSCXZNCMASN-NRFANRHFSA-N 0 3 376.456 3.933 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c([O-])c1 ZINC000769483210 874064549 /nfs/dbraw/zinc/06/45/49/874064549.db2.gz HANRWULDCBUZQR-YJBOKZPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c([O-])c1 ZINC000769483210 874064567 /nfs/dbraw/zinc/06/45/67/874064567.db2.gz HANRWULDCBUZQR-YJBOKZPZSA-N 0 3 378.513 3.916 20 10 GHCDHN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)n(-c2ccccc2F)n1 ZINC000775832292 874293032 /nfs/dbraw/zinc/29/30/32/874293032.db2.gz YBPQJTILYMXZNH-INIZCTEOSA-N 0 3 395.482 3.675 20 10 GHCDHN COc1cc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC)cc1Cl ZINC000775837043 874333247 /nfs/dbraw/zinc/33/32/47/874333247.db2.gz QSXKZGRWQMDBOK-ZDUSSCGKSA-N 0 3 391.899 3.713 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)c2)CC1 ZINC000770148142 874500913 /nfs/dbraw/zinc/50/09/13/874500913.db2.gz PJVDIYOMCCDPFS-NRFANRHFSA-N 0 3 393.531 3.975 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl ZINC000858106240 882851347 /nfs/dbraw/zinc/85/13/47/882851347.db2.gz HHFIHSGNXWURFK-UHFFFAOYSA-N 0 3 378.875 3.739 20 10 GHCDHN COc1cc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1 ZINC001199412976 874977046 /nfs/dbraw/zinc/97/70/46/874977046.db2.gz KMAMYYUWSXPIPA-HZPDHXFCSA-N 0 3 387.499 3.750 20 10 GHCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000771866527 875504212 /nfs/dbraw/zinc/50/42/12/875504212.db2.gz DSMZTXMRSSILBC-AWEZNQCLSA-N 0 3 378.266 3.835 20 10 GHCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000771866527 875504222 /nfs/dbraw/zinc/50/42/22/875504222.db2.gz DSMZTXMRSSILBC-AWEZNQCLSA-N 0 3 378.266 3.835 20 10 GHCDHN CCC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccsc1 ZINC000785565639 876132867 /nfs/dbraw/zinc/13/28/67/876132867.db2.gz JYLKAIFNWZMWPY-IBGZPJMESA-N 0 3 378.563 3.614 20 10 GHCDHN CN(Cc1cn(C)nc1-c1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000179617151 883015332 /nfs/dbraw/zinc/01/53/32/883015332.db2.gz VKFFJWQEFASDIV-UHFFFAOYSA-N 0 3 382.533 3.617 20 10 GHCDHN CC(=O)NCc1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000850343580 876832035 /nfs/dbraw/zinc/83/20/35/876832035.db2.gz UWEZMQWFFIMKLT-UHFFFAOYSA-N 0 3 379.426 3.697 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3c(C(C)C)nc4sc(C)nn34)C2)cc1 ZINC000850346769 876837463 /nfs/dbraw/zinc/83/74/63/876837463.db2.gz JQIKHZNGQADAQV-OAHLLOKOSA-N 0 3 385.537 3.600 20 10 GHCDHN COC[C@@H](NCc1cc(Br)cc(OC)c1O)c1cccc(OC)c1 ZINC000850362379 876849565 /nfs/dbraw/zinc/84/95/65/876849565.db2.gz MKGBMCYQRZSEBG-MRXNPFEDSA-N 0 3 396.281 3.649 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cc(Cl)c1OC ZINC000850404851 876885519 /nfs/dbraw/zinc/88/55/19/876885519.db2.gz FNJBIBPJLISGDX-UHFFFAOYSA-N 0 3 390.911 3.608 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cncc(Br)c1 ZINC000850427135 876910642 /nfs/dbraw/zinc/91/06/42/876910642.db2.gz NLHWRIUVUIIJQF-AWEZNQCLSA-N 0 3 376.298 3.532 20 10 GHCDHN O=C(N1CC[C@H](NCc2ccc3c(c2)CCO3)c2ccccc2C1)C(F)(F)F ZINC000850430983 876914147 /nfs/dbraw/zinc/91/41/47/876914147.db2.gz XOYMGZKBJKUHQP-SFHVURJKSA-N 0 3 390.405 3.747 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cc4cnccc4o3)cc2F)CC1 ZINC000850433584 876916726 /nfs/dbraw/zinc/91/67/26/876916726.db2.gz NZTJWNKJCQHSIW-MRXNPFEDSA-N 0 3 382.483 3.960 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000850532032 877003286 /nfs/dbraw/zinc/00/32/86/877003286.db2.gz ISHGCKQIOMEBBN-RJIBLYRGSA-N 0 3 392.240 3.628 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000850558171 877025189 /nfs/dbraw/zinc/02/51/89/877025189.db2.gz UYHQNMNNSYUOKD-FYYLOGMGSA-N 0 3 380.532 3.909 20 10 GHCDHN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093454609 912278582 /nfs/dbraw/zinc/27/85/82/912278582.db2.gz DWDOJFHPDWLJMV-JOCHJYFZSA-N 0 3 377.488 3.738 20 10 GHCDHN COC(=O)COc1ccc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1 ZINC000774569615 912282263 /nfs/dbraw/zinc/28/22/63/912282263.db2.gz IYMQQUQVIDUKBT-UHFFFAOYSA-N 0 3 387.476 3.579 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1[O-] ZINC000179880220 878160113 /nfs/dbraw/zinc/16/01/13/878160113.db2.gz YXLWJCXVGTZZGR-DYVFJYSZSA-N 0 3 376.403 3.840 20 10 GHCDHN Cc1ccc(C(=O)NC2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)cc1 ZINC001183171218 912328849 /nfs/dbraw/zinc/32/88/49/912328849.db2.gz QEFQDIUEZXBDNI-PLNGDYQASA-N 0 3 377.532 3.969 20 10 GHCDHN CC1CCN([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)c2cccs2)CC1 ZINC000180597701 879068357 /nfs/dbraw/zinc/06/83/57/879068357.db2.gz ZXQRNUOTSIZODH-UABRLCRWSA-N 0 3 386.517 3.762 20 10 GHCDHN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000789585899 879082856 /nfs/dbraw/zinc/08/28/56/879082856.db2.gz GEZGKPKJOMUWLJ-KRWDZBQOSA-N 0 3 394.309 3.853 20 10 GHCDHN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000789585899 879082866 /nfs/dbraw/zinc/08/28/66/879082866.db2.gz GEZGKPKJOMUWLJ-KRWDZBQOSA-N 0 3 394.309 3.853 20 10 GHCDHN CCOc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)c(O)c1 ZINC000789888881 879315892 /nfs/dbraw/zinc/31/58/92/879315892.db2.gz DDBLGYQMEILBJG-FQEVSTJZSA-N 0 3 397.519 3.569 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000789902479 879348148 /nfs/dbraw/zinc/34/81/48/879348148.db2.gz BZXNGMMLETVFGN-JOCHJYFZSA-N 0 3 394.563 3.949 20 10 GHCDHN CCOc1cccc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1O ZINC000093815537 912449711 /nfs/dbraw/zinc/44/97/11/912449711.db2.gz UXVHWJCVIQYEDQ-INIZCTEOSA-N 0 3 380.282 3.719 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](CNC(=O)C(C)(C)C)C3)c2c1 ZINC000112695123 880087741 /nfs/dbraw/zinc/08/77/41/880087741.db2.gz JDCBNLIKVXZYLZ-MRXNPFEDSA-N 0 3 384.520 3.928 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](CNC(=O)C(C)(C)C)C3)c2c1 ZINC000112695123 880087753 /nfs/dbraw/zinc/08/77/53/880087753.db2.gz JDCBNLIKVXZYLZ-MRXNPFEDSA-N 0 3 384.520 3.928 20 10 GHCDHN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000862252391 886256165 /nfs/dbraw/zinc/25/61/65/886256165.db2.gz FEBDXADPMDMIJQ-LBPRGKRZSA-N 0 3 377.286 3.530 20 10 GHCDHN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000862252391 886256186 /nfs/dbraw/zinc/25/61/86/886256186.db2.gz FEBDXADPMDMIJQ-LBPRGKRZSA-N 0 3 377.286 3.530 20 10 GHCDHN c1ccc(CCN(Cc2ccncc2)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000809762466 887803547 /nfs/dbraw/zinc/80/35/47/887803547.db2.gz OZLPGDJPIMOAPN-UHFFFAOYSA-N 0 3 388.515 3.558 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OC)c(O)c3)cc2F)CC1 ZINC000810216973 888295207 /nfs/dbraw/zinc/29/52/07/888295207.db2.gz UEGYICGPEMSCTD-INIZCTEOSA-N 0 3 387.499 3.533 20 10 GHCDHN O=c1[nH]ccc2oc(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)cc21 ZINC000865443751 888356965 /nfs/dbraw/zinc/35/69/65/888356965.db2.gz CTMIDKQBKCRDOP-UHFFFAOYSA-N 0 3 389.402 3.893 20 10 GHCDHN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000120627771 888440473 /nfs/dbraw/zinc/44/04/73/888440473.db2.gz ZZLRFSZEBMFONN-JOCHJYFZSA-N 0 3 382.504 3.878 20 10 GHCDHN Fc1cc(CN2CC[C@@]3(C2)CCc2ccccc2O3)ccc1N1CCOCC1 ZINC000811512855 889706248 /nfs/dbraw/zinc/70/62/48/889706248.db2.gz MDQIDDAFUPVUQV-HSZRJFAPSA-N 0 3 382.479 3.632 20 10 GHCDHN [O-]c1c(CNc2ccc3c(C4C[NH2+]C4)ncn3c2)cc(Cl)c2cccnc12 ZINC001168521434 890233309 /nfs/dbraw/zinc/23/33/09/890233309.db2.gz BUXYFRUOWRFSOX-UHFFFAOYSA-N 0 3 379.851 3.540 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000729687128 890331602 /nfs/dbraw/zinc/33/16/02/890331602.db2.gz UCIIMLMDZAOJHQ-GOSISDBHSA-N 0 3 385.410 3.867 20 10 GHCDHN COc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1Cn1cccn1 ZINC000873098679 891470670 /nfs/dbraw/zinc/47/06/70/891470670.db2.gz UGOQKVBRSZQMTO-JWIGPWBQSA-N 0 3 383.517 3.528 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000813787338 891972735 /nfs/dbraw/zinc/97/27/35/891972735.db2.gz CSFRCMIYKDHYTA-GOSISDBHSA-N 0 3 376.497 3.670 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C2CC2)cc1 ZINC000918056034 893068376 /nfs/dbraw/zinc/06/83/76/893068376.db2.gz XYYSOLCTLFPTDJ-QFIPXVFZSA-N 0 3 380.536 3.730 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C2CC2)cc1 ZINC000918060072 893075225 /nfs/dbraw/zinc/07/52/25/893075225.db2.gz AOCMIIRPRAMWTN-OAQYLSRUSA-N 0 3 392.547 3.701 20 10 GHCDHN CCc1nc(C(C)C)ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686679 893201970 /nfs/dbraw/zinc/20/19/70/893201970.db2.gz RRKXGDNLXLQUSX-QFIPXVFZSA-N 0 3 382.552 3.866 20 10 GHCDHN Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681921 893217883 /nfs/dbraw/zinc/21/78/83/893217883.db2.gz NBEBWHRWBLFWIX-QGZVFWFLSA-N 0 3 398.532 3.810 20 10 GHCDHN CC[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001134681836 893218264 /nfs/dbraw/zinc/21/82/64/893218264.db2.gz JWSORRVHZYIHGY-FGZHOGPDSA-N 0 3 383.536 3.674 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2nc3ccccc3s2)N(C)C)cc1 ZINC001134682007 893219448 /nfs/dbraw/zinc/21/94/48/893219448.db2.gz PYHATPZSJUFOSE-QQBSYFJQSA-N 0 3 394.544 3.795 20 10 GHCDHN COc1cc2ccccc2cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881640 893476310 /nfs/dbraw/zinc/47/63/10/893476310.db2.gz CDGSZCUZRHZGPL-JOCHJYFZSA-N 0 3 391.515 3.947 20 10 GHCDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(F)c1Cl ZINC001134882008 893504301 /nfs/dbraw/zinc/50/43/01/893504301.db2.gz JXNBBDVZFLZKKW-KRWDZBQOSA-N 0 3 377.891 3.886 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)N(C)C)cc1 ZINC001134882022 893505090 /nfs/dbraw/zinc/50/50/90/893505090.db2.gz KIAPQWNSOVQQPP-NHCUHLMSSA-N 0 3 395.547 3.816 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000774854617 913802094 /nfs/dbraw/zinc/80/20/94/913802094.db2.gz YEISRVIZCDRENW-LPHOPBHVSA-N 0 3 399.491 3.966 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000774854617 913802111 /nfs/dbraw/zinc/80/21/11/913802111.db2.gz YEISRVIZCDRENW-LPHOPBHVSA-N 0 3 399.491 3.966 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000815559907 893998471 /nfs/dbraw/zinc/99/84/71/893998471.db2.gz SWYJYJFRSBAQGN-OAQYLSRUSA-N 0 3 385.471 3.832 20 10 GHCDHN CN1CCN(CCOc2ccc(NCc3ccc4ccccc4c3O)cc2)CC1 ZINC000816524468 894922313 /nfs/dbraw/zinc/92/23/13/894922313.db2.gz GOAXCGBQBFBSHU-UHFFFAOYSA-N 0 3 391.515 3.784 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000040009493 895036732 /nfs/dbraw/zinc/03/67/32/895036732.db2.gz WUZOJKBRBUBIQX-UHFFFAOYSA-N 0 3 388.895 3.580 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651322 895203138 /nfs/dbraw/zinc/20/31/38/895203138.db2.gz RFINJIBNSXDIRT-GOEBONIOSA-N 0 3 378.476 3.873 20 10 GHCDHN COc1ccc(N2CC[C@H](CNC(=O)c3cccc(CN4CCCC4)c3)C2)cc1 ZINC000819583750 896832739 /nfs/dbraw/zinc/83/27/39/896832739.db2.gz VGNIJGIZTIXGHU-HXUWFJFHSA-N 0 3 393.531 3.547 20 10 GHCDHN C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1Cc1ccccc1 ZINC000820417813 897336897 /nfs/dbraw/zinc/33/68/97/897336897.db2.gz JBVBUBOZYPRNSJ-INIZCTEOSA-N 0 3 379.464 3.586 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000822819053 898652444 /nfs/dbraw/zinc/65/24/44/898652444.db2.gz XJCRLSKQZLDORR-SNVBAGLBSA-N 0 3 381.226 3.922 20 10 GHCDHN COc1cc(-c2noc(CCCCC[NH2+]Cc3ccccc3[O-])n2)ccc1O ZINC000113360671 898990086 /nfs/dbraw/zinc/99/00/86/898990086.db2.gz VGVCJRHTFUYGSD-UHFFFAOYSA-N 0 3 383.448 3.659 20 10 GHCDHN CSCC[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)N(C)C ZINC000824403731 899559815 /nfs/dbraw/zinc/55/98/15/899559815.db2.gz ZVHAKVXAQJBIOL-IBGZPJMESA-N 0 3 391.606 3.684 20 10 GHCDHN C[C@H](NCc1ccccc1Cn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119237491 899566290 /nfs/dbraw/zinc/56/62/90/899566290.db2.gz JQNSRONGGIPAJH-SFHVURJKSA-N 0 3 394.494 3.758 20 10 GHCDHN CCOCc1cc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1OC ZINC000825118736 899991430 /nfs/dbraw/zinc/99/14/30/899991430.db2.gz WTFVCYKSOZBHQM-NRSPTQNISA-N 0 3 387.524 3.715 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000825294599 900075889 /nfs/dbraw/zinc/07/58/89/900075889.db2.gz UKNGMUKJXHSQAA-UHFFFAOYSA-N 0 3 395.263 3.922 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000825294599 900075896 /nfs/dbraw/zinc/07/58/96/900075896.db2.gz UKNGMUKJXHSQAA-UHFFFAOYSA-N 0 3 395.263 3.922 20 10 GHCDHN C[C@H](NC[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000886764178 901260085 /nfs/dbraw/zinc/26/00/85/901260085.db2.gz MZVFEVNMVOAMLM-VWFIUDSGSA-N 0 3 394.943 3.554 20 10 GHCDHN COc1cc(CNCc2ccccc2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000263657217 902360550 /nfs/dbraw/zinc/36/05/50/902360550.db2.gz GJYQZOUINSCZGV-UHFFFAOYSA-N 0 3 386.326 3.540 20 10 GHCDHN COc1cc(O)c(CN[C@H]2CCOc3c(Br)cccc32)cc1OC ZINC000282772640 904308224 /nfs/dbraw/zinc/30/82/24/904308224.db2.gz PSIUZCBOWVWLHV-AWEZNQCLSA-N 0 3 394.265 3.785 20 10 GHCDHN C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773133136 904461434 /nfs/dbraw/zinc/46/14/34/904461434.db2.gz QMHIYHSFVAYUTI-QAPCUYQASA-N 0 3 392.902 3.570 20 10 GHCDHN C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773166268 904513819 /nfs/dbraw/zinc/51/38/19/904513819.db2.gz WHBIEAWXUHNESV-AVRDEDQJSA-N 0 3 380.536 3.950 20 10 GHCDHN COc1c([O-])c(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000365828389 921193605 /nfs/dbraw/zinc/19/36/05/921193605.db2.gz UXNKNGXLFUMQDE-OAHLLOKOSA-N 0 3 385.464 3.624 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 ZINC000178228683 906312480 /nfs/dbraw/zinc/31/24/80/906312480.db2.gz UGQVBUMDSHHCOR-INIZCTEOSA-N 0 3 390.549 3.796 20 10 GHCDHN C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178502570 906352628 /nfs/dbraw/zinc/35/26/28/906352628.db2.gz MQITZAJLGXZLDG-GOSISDBHSA-N 0 3 394.494 3.758 20 10 GHCDHN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180411730 906763670 /nfs/dbraw/zinc/76/36/70/906763670.db2.gz HIDXSHNAJMQUCF-KRWDZBQOSA-N 0 3 394.494 3.914 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc2ccccc2c1[O-] ZINC000185042246 907702364 /nfs/dbraw/zinc/70/23/64/907702364.db2.gz HFLFKCJCTBSEJF-QGZVFWFLSA-N 0 3 376.504 3.543 20 10 GHCDHN CC(=O)Nc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001177810661 908765972 /nfs/dbraw/zinc/76/59/72/908765972.db2.gz NNLPDQJNLHTFTP-FQEVSTJZSA-N 0 3 387.911 3.758 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000245959651 910024009 /nfs/dbraw/zinc/02/40/09/910024009.db2.gz XXQNWLRAEVFGPD-QIJUGHKUSA-N 0 3 385.504 3.512 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000245959651 910024025 /nfs/dbraw/zinc/02/40/25/910024025.db2.gz XXQNWLRAEVFGPD-QIJUGHKUSA-N 0 3 385.504 3.512 20 10 GHCDHN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483224 911788189 /nfs/dbraw/zinc/78/81/89/911788189.db2.gz IVFKAAJMKRPSKQ-JKSUJKDBSA-N 0 3 383.492 3.525 20 10 GHCDHN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483829 911790488 /nfs/dbraw/zinc/79/04/88/911790488.db2.gz LZTNLHZWRBLBEU-YESZJQIVSA-N 0 3 399.535 3.686 20 10 GHCDHN CC(=O)Nc1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000796362421 915002357 /nfs/dbraw/zinc/00/23/57/915002357.db2.gz WWFJZVBLICGQMF-UHFFFAOYSA-N 0 3 386.499 3.893 20 10 GHCDHN CCc1cccc(CC)c1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256025 916660994 /nfs/dbraw/zinc/66/09/94/916660994.db2.gz VBXMWOZATHXZEA-GOSISDBHSA-N 0 3 395.547 3.937 20 10 GHCDHN C[C@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258941 916687934 /nfs/dbraw/zinc/68/79/34/916687934.db2.gz CIPPBEQDMLJKFX-OALUTQOASA-N 0 3 393.531 3.542 20 10 GHCDHN CN(C)c1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000775319150 916908371 /nfs/dbraw/zinc/90/83/71/916908371.db2.gz QEAZSPQBSMPGPB-KRWDZBQOSA-N 0 3 377.410 3.667 20 10 GHCDHN CN(c1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1)C1CCCCC1 ZINC000775382429 917316988 /nfs/dbraw/zinc/31/69/88/917316988.db2.gz OAUXUJZUMIZZLK-NHCUHLMSSA-N 0 3 378.582 3.901 20 10 GHCDHN COc1ccc([C@H](CCO)NCc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000296402198 918232273 /nfs/dbraw/zinc/23/22/73/918232273.db2.gz VWJUNUDDKIUDNJ-QHCPKHFHSA-N 0 3 384.520 3.524 20 10 GHCDHN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000367395612 922080319 /nfs/dbraw/zinc/08/03/19/922080319.db2.gz COHNGZCZRDIMEK-IERDGZPVSA-N 0 3 397.494 3.811 20 10 GHCDHN FC(F)Oc1ccc(N2CCC(N[C@@H](c3nnc[nH]3)c3ccccc3)CC2)cc1 ZINC000368006897 922421067 /nfs/dbraw/zinc/42/10/67/922421067.db2.gz OVEVXQIJHRDIHM-LJQANCHMSA-N 0 3 399.445 3.754 20 10 GHCDHN C[C@@H](NCc1c[nH]c(=O)c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000903231186 922871194 /nfs/dbraw/zinc/87/11/94/922871194.db2.gz JKOFHFVDTLAOPM-OAHLLOKOSA-N 0 3 381.451 3.767 20 10 GHCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370500335 924130294 /nfs/dbraw/zinc/13/02/94/924130294.db2.gz QJDKNCNAPMVYKU-PGRDOPGGSA-N 0 3 394.515 3.735 20 10 GHCDHN Cn1ccnc1[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000371427573 924575523 /nfs/dbraw/zinc/57/55/23/924575523.db2.gz XEKSMMJSRJTHSZ-SFHVURJKSA-N 0 3 376.451 3.731 20 10 GHCDHN CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000827554322 925816149 /nfs/dbraw/zinc/81/61/49/925816149.db2.gz CNIHOVADPJDPHO-GOSISDBHSA-N 0 3 382.504 3.708 20 10 GHCDHN COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000394287199 926413528 /nfs/dbraw/zinc/41/35/28/926413528.db2.gz XHYSHTOZTRDMDT-KKSFZXQISA-N 0 3 378.513 3.767 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)c2c1 ZINC000749971981 927377549 /nfs/dbraw/zinc/37/75/49/927377549.db2.gz JYQOXXODXNYGNF-INIZCTEOSA-N 0 3 386.492 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)c2c1 ZINC000749971981 927377563 /nfs/dbraw/zinc/37/75/63/927377563.db2.gz JYQOXXODXNYGNF-INIZCTEOSA-N 0 3 386.492 3.995 20 10 GHCDHN Cc1noc(C2(C)CCN(Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000781529070 930878857 /nfs/dbraw/zinc/87/88/57/930878857.db2.gz JONHJOAOXQVRIH-UHFFFAOYSA-N 0 3 380.286 3.708 20 10 GHCDHN CC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1[O-] ZINC000796869232 932094612 /nfs/dbraw/zinc/09/46/12/932094612.db2.gz NONWWKKQVDPLHU-FQEVSTJZSA-N 0 3 385.483 3.792 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](CC)c2ccc(C)cc2[O-])s1 ZINC000797142253 932200363 /nfs/dbraw/zinc/20/03/63/932200363.db2.gz SWLMTGCXOLDXCK-UMVBOHGHSA-N 0 3 376.526 3.819 20 10 GHCDHN COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(C)c1OC ZINC000927124602 932424036 /nfs/dbraw/zinc/42/40/36/932424036.db2.gz MMVRULLSKFRLDA-MRXNPFEDSA-N 0 3 388.483 3.839 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3ccccc3)C3(CO)CCC3)cc2F)CC1 ZINC001117760275 934009795 /nfs/dbraw/zinc/00/97/95/934009795.db2.gz TUVWXYIGHQOCKA-HSZRJFAPSA-N 0 3 397.538 3.571 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3ccccc3)C3(CO)CCC3)cc2F)CC1 ZINC001117760276 934009932 /nfs/dbraw/zinc/00/99/32/934009932.db2.gz TUVWXYIGHQOCKA-QHCPKHFHSA-N 0 3 397.538 3.571 20 10 GHCDHN N[C@@H](CC1CCCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359488 935619254 /nfs/dbraw/zinc/61/92/54/935619254.db2.gz VYXMMCFDEOLXMS-IBGZPJMESA-N 0 3 395.494 3.671 20 10 GHCDHN COc1ccc(N(c2ccc(N)cc2)c2ccnc(N3CCOCC3)c2)cc1 ZINC001212994877 1032225555 /nfs/dbraw/zinc/22/55/55/1032225555.db2.gz WIVOXBXVZHVJBO-UHFFFAOYSA-N 0 3 376.460 3.979 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c1[O-] ZINC001204339059 1032780724 /nfs/dbraw/zinc/78/07/24/1032780724.db2.gz TXDKLXCWTGAPLC-MRXNPFEDSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1[O-] ZINC001204339059 1032780736 /nfs/dbraw/zinc/78/07/36/1032780736.db2.gz TXDKLXCWTGAPLC-MRXNPFEDSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1cc(Br)cc(CN(C)CCC(=O)c2cccs2)c1O ZINC001204341316 1032784100 /nfs/dbraw/zinc/78/41/00/1032784100.db2.gz FFGDEOYFQMGUHQ-UHFFFAOYSA-N 0 3 384.295 3.930 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCCC[C@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC001140304651 1021354131 /nfs/dbraw/zinc/35/41/31/1021354131.db2.gz XIDQATNJJZAHEM-NRFANRHFSA-N 0 3 387.568 3.525 20 10 GHCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1C(F)(F)F ZINC000834769715 1021454794 /nfs/dbraw/zinc/45/47/94/1021454794.db2.gz QDGCAWSULNTVPV-HUUCEWRRSA-N 0 3 376.378 3.793 20 10 GHCDHN CC(=O)Nc1ccc(CN2CCC([NH2+][C@H]3CCc4cccc([O-])c43)CC2)cc1 ZINC000834886438 1021614448 /nfs/dbraw/zinc/61/44/48/1021614448.db2.gz LDLOXDBUPXYANY-NRFANRHFSA-N 0 3 379.504 3.592 20 10 GHCDHN CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000834886116 1021617982 /nfs/dbraw/zinc/61/79/82/1021617982.db2.gz ICIXFEJCWLWTDG-KRWDZBQOSA-N 0 3 381.520 3.974 20 10 GHCDHN Cc1ccc(NC(=O)C2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)nc1 ZINC000835024920 1021780444 /nfs/dbraw/zinc/78/04/44/1021780444.db2.gz DNLIBFLLJGFHCC-PLNGDYQASA-N 0 3 378.520 3.820 20 10 GHCDHN Cc1cc(C(=O)NC2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)c(C)o1 ZINC000835026722 1021783888 /nfs/dbraw/zinc/78/38/88/1021783888.db2.gz FTBHYQUMLABUSE-WAYWQWQTSA-N 0 3 381.520 3.870 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000835071724 1021863186 /nfs/dbraw/zinc/86/31/86/1021863186.db2.gz ZYOMZIYXCDWCCG-UYAOXDASSA-N 0 3 390.524 3.677 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)c1 ZINC001140856729 1022713832 /nfs/dbraw/zinc/71/38/32/1022713832.db2.gz HBRTYBBXPZTGTR-HXUWFJFHSA-N 0 3 399.510 3.772 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)c(Cl)c1 ZINC001140924442 1022901042 /nfs/dbraw/zinc/90/10/42/1022901042.db2.gz OZUHTOARGJUBDK-IBGZPJMESA-N 0 3 378.944 3.956 20 10 GHCDHN CCC[N@H+](Cc1c([O-])cc(OC)cc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141031056 1023296652 /nfs/dbraw/zinc/29/66/52/1023296652.db2.gz WDSQPQGPKRVYHS-HNNXBMFYSA-N 0 3 394.512 3.631 20 10 GHCDHN CCC[N@@H+](Cc1c([O-])cc(OC)cc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141031056 1023296658 /nfs/dbraw/zinc/29/66/58/1023296658.db2.gz WDSQPQGPKRVYHS-HNNXBMFYSA-N 0 3 394.512 3.631 20 10 GHCDHN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000836847863 1023406441 /nfs/dbraw/zinc/40/64/41/1023406441.db2.gz FYRCPYWMOXMHNX-HRAATJIYSA-N 0 3 377.492 3.944 20 10 GHCDHN COc1cc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)ccn1 ZINC001141079118 1023445299 /nfs/dbraw/zinc/44/52/99/1023445299.db2.gz UHBKQSRNAIFDER-UHFFFAOYSA-N 0 3 393.531 3.832 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756340526 1023596830 /nfs/dbraw/zinc/59/68/30/1023596830.db2.gz FUDLXFYRYQDXSM-DJIMGWMZSA-N 0 3 389.540 3.719 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cc(C)ccc2O)s1 ZINC000756477551 1023676523 /nfs/dbraw/zinc/67/65/23/1023676523.db2.gz BGFICDRFTCCSAV-AWEZNQCLSA-N 0 3 382.551 3.643 20 10 GHCDHN C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cc(F)ccc1[O-] ZINC000756527850 1023698988 /nfs/dbraw/zinc/69/89/88/1023698988.db2.gz RJVQRIXGXLSLGR-GFCCVEGCSA-N 0 3 395.272 3.765 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756605072 1023733563 /nfs/dbraw/zinc/73/35/63/1023733563.db2.gz QGRIOBIGROOESE-BEKAIBRUSA-N 0 3 384.495 3.552 20 10 GHCDHN COc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)N(C)C)cc1OC ZINC000756665957 1023764123 /nfs/dbraw/zinc/76/41/23/1023764123.db2.gz XJPGAISLZNDBRR-XYPHTWIQSA-N 0 3 388.483 3.989 20 10 GHCDHN COc1cc2cnc(NCc3ccc(N4CCN(C)CC4)cc3)cc2cc1OC ZINC001156660109 1033162771 /nfs/dbraw/zinc/16/27/71/1033162771.db2.gz SPSJTWYCLAXXPI-UHFFFAOYSA-N 0 3 392.503 3.616 20 10 GHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000756763244 1023804648 /nfs/dbraw/zinc/80/46/48/1023804648.db2.gz VULJBPTUEZYHBH-GXTWGEPZSA-N 0 3 387.373 3.932 20 10 GHCDHN CN1CCOc2cc(CN3CCC(Oc4ncnc5ccccc54)CC3)ccc21 ZINC001141145428 1023965437 /nfs/dbraw/zinc/96/54/37/1023965437.db2.gz CHSULEWBOCOZFA-UHFFFAOYSA-N 0 3 390.487 3.502 20 10 GHCDHN Cc1c(CN(C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2n1C ZINC001138252581 1024472334 /nfs/dbraw/zinc/47/23/34/1024472334.db2.gz MMQZAKAJCCXUHV-QGZVFWFLSA-N 0 3 387.524 3.554 20 10 GHCDHN Oc1c(CN2CCN(Cc3ccc(F)cc3)CC2)cc2c3c1CCCN3CCC2 ZINC001138337860 1024699299 /nfs/dbraw/zinc/69/92/99/1024699299.db2.gz DYJRLHMQXFRMMG-UHFFFAOYSA-N 0 3 395.522 3.548 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c(OC)c1 ZINC001138387679 1024760771 /nfs/dbraw/zinc/76/07/71/1024760771.db2.gz MASCBLFAHGIREZ-SFTDATJTSA-N 0 3 385.552 3.517 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CCCCN3C(C)=O)CC2)c(OC)c1 ZINC001138388815 1024763894 /nfs/dbraw/zinc/76/38/94/1024763894.db2.gz FNKZFTKOFFLCKC-UHFFFAOYSA-N 0 3 387.568 3.908 20 10 GHCDHN O=C1CC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c2ccccc21 ZINC001138499323 1024932135 /nfs/dbraw/zinc/93/21/35/1024932135.db2.gz DBLCQZCHVNWLJQ-UHFFFAOYSA-N 0 3 376.500 3.643 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)ccc1N(C)C ZINC001139671099 1026526481 /nfs/dbraw/zinc/52/64/81/1026526481.db2.gz GUJIZMXPPUMUSI-OAQYLSRUSA-N 0 3 377.532 3.557 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccccc4F)C3)C2)cc1 ZINC001203348465 1027285373 /nfs/dbraw/zinc/28/53/73/1027285373.db2.gz PHPULKQURBNFFA-QHCPKHFHSA-N 0 3 384.495 3.953 20 10 GHCDHN CC(C)(C)OC(=O)CC[NH+](CCC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001203561642 1027434687 /nfs/dbraw/zinc/43/46/87/1027434687.db2.gz XGGLLZXGFCTHEV-UHFFFAOYSA-N 0 3 379.497 3.658 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)c([O-])c1 ZINC001203622695 1027483460 /nfs/dbraw/zinc/48/34/60/1027483460.db2.gz AMAVNHZXZBUQBB-OAQYLSRUSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)c([O-])c1 ZINC001203622695 1027483468 /nfs/dbraw/zinc/48/34/68/1027483468.db2.gz AMAVNHZXZBUQBB-OAQYLSRUSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001203628581 1027487961 /nfs/dbraw/zinc/48/79/61/1027487961.db2.gz BYJWVCYAEIGWIA-BULFRSBZSA-N 0 3 381.520 3.528 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001203628581 1027487970 /nfs/dbraw/zinc/48/79/70/1027487970.db2.gz BYJWVCYAEIGWIA-BULFRSBZSA-N 0 3 381.520 3.528 20 10 GHCDHN Cc1cnc2n1CCC21CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC001203639357 1027497973 /nfs/dbraw/zinc/49/79/73/1027497973.db2.gz BVUWYCCTYOLAJO-UHFFFAOYSA-N 0 3 376.298 3.597 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)N(C)C)cc1 ZINC001221941362 1029900985 /nfs/dbraw/zinc/90/09/85/1029900985.db2.gz KKBGPTKZNXOSHH-GOTSBHOMSA-N 0 3 394.563 3.676 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c1O ZINC001276965894 1030974895 /nfs/dbraw/zinc/97/48/95/1030974895.db2.gz FELUVJNXZFGZAY-IAGOWNOFSA-N 0 3 395.341 3.684 20 10 GHCDHN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H](N)CCCc1ccccc1 ZINC001218581180 1030993583 /nfs/dbraw/zinc/99/35/83/1030993583.db2.gz GFGTXVLSAXDXCT-RSSXGNAWSA-N 0 3 388.475 3.956 20 10 GHCDHN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)c(C)c1 ZINC001219205716 1031304574 /nfs/dbraw/zinc/30/45/74/1031304574.db2.gz KYRDBDZRUWKJPT-DAIFCTHNSA-N 0 3 393.491 3.996 20 10 GHCDHN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc2)cc1 ZINC001219492865 1031457114 /nfs/dbraw/zinc/45/71/14/1031457114.db2.gz DOIIADSWLDESDS-IBGZPJMESA-N 0 3 381.480 3.759 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1csc([C@H]2CCCN2)n1 ZINC001157434259 1033586048 /nfs/dbraw/zinc/58/60/48/1033586048.db2.gz OCZLVRRSQRRMSH-RDTXWAMCSA-N 0 3 385.533 3.943 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NC(=O)NCCCSc3nccs3)C2)cc1 ZINC001230249048 1033961195 /nfs/dbraw/zinc/96/11/95/1033961195.db2.gz HNDFJAMJAVHWSQ-KRWDZBQOSA-N 0 3 390.578 3.507 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N(C)C)cc1 ZINC001158717016 1034243100 /nfs/dbraw/zinc/24/31/00/1034243100.db2.gz KJPJONLWVAECBE-QGZVFWFLSA-N 0 3 384.505 3.502 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+](C[C@@H]1CCCO1)C[C@H]2c1ccc(O)cc1 ZINC001207894739 1034642770 /nfs/dbraw/zinc/64/27/70/1034642770.db2.gz VTOBBTGPYKSOBG-YJBOKZPZSA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+](C[C@@H]1CCCO1)C[C@H]2c1ccc(O)cc1 ZINC001207894739 1034642780 /nfs/dbraw/zinc/64/27/80/1034642780.db2.gz VTOBBTGPYKSOBG-YJBOKZPZSA-N 0 3 389.879 3.626 20 10 GHCDHN COc1ccc(Br)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1[O-] ZINC001231552221 1034704534 /nfs/dbraw/zinc/70/45/34/1034704534.db2.gz AVEVDRNRVSORKC-CQSZACIVSA-N 0 3 383.330 3.614 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@H](Oc3ccccc3)C2)c1O ZINC001231552868 1034706356 /nfs/dbraw/zinc/70/63/56/1034706356.db2.gz LXPVSNLBDNTZFM-AWEZNQCLSA-N 0 3 378.266 3.817 20 10 GHCDHN O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231588040 1034740732 /nfs/dbraw/zinc/74/07/32/1034740732.db2.gz HUBQEHJFNJQPHK-FQEVSTJZSA-N 0 3 387.483 3.579 20 10 GHCDHN Cn1ccc(CN2CCCC23CC[NH+](Cc2c([O-])ccc4ccccc42)CC3)n1 ZINC001231588490 1034741493 /nfs/dbraw/zinc/74/14/93/1034741493.db2.gz MYVDJCMDTSOZKO-UHFFFAOYSA-N 0 3 390.531 3.910 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001231851538 1034942765 /nfs/dbraw/zinc/94/27/65/1034942765.db2.gz ISNGHSJQOXTWET-UHFFFAOYSA-N 0 3 389.540 3.737 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ccc(-c2ccccn2)nn1)c1ccccc1O ZINC001160623225 1035018627 /nfs/dbraw/zinc/01/86/27/1035018627.db2.gz HYIQXWSOVAVNMT-DHIUTWEWSA-N 0 3 399.454 3.803 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1cc(-c2ccncc2)ncn1)c1ccccc1O ZINC001160623202 1035018958 /nfs/dbraw/zinc/01/89/58/1035018958.db2.gz HHEXQSSJMRPVNF-DHIUTWEWSA-N 0 3 399.454 3.803 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)cc1 ZINC001209517427 1035300442 /nfs/dbraw/zinc/30/04/42/1035300442.db2.gz CJRZJBHQIPWLNH-NHCUHLMSSA-N 0 3 399.535 3.554 20 10 GHCDHN COc1ccc(OCC[N@H+](C)Cc2cc(Br)cc(C)c2[O-])cc1 ZINC001462027564 1069954525 /nfs/dbraw/zinc/95/45/25/1069954525.db2.gz VOIDJGHGOILXHY-UHFFFAOYSA-N 0 3 380.282 3.983 20 10 GHCDHN COc1ccc(OCC[N@@H+](C)Cc2cc(Br)cc(C)c2[O-])cc1 ZINC001462027564 1069954528 /nfs/dbraw/zinc/95/45/28/1069954528.db2.gz VOIDJGHGOILXHY-UHFFFAOYSA-N 0 3 380.282 3.983 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccc5n4CCC5)C3)C2)cc1 ZINC001248821606 1036181553 /nfs/dbraw/zinc/18/15/53/1036181553.db2.gz GPPDCOABBPNFDT-DEOSSOPVSA-N 0 3 395.547 3.562 20 10 GHCDHN CCC[N@@H+](Cc1ccc(N(C)C)cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232841851 1038591973 /nfs/dbraw/zinc/59/19/73/1038591973.db2.gz UITBETWFSZDYHS-QGZVFWFLSA-N 0 3 391.556 3.927 20 10 GHCDHN CCC[N@H+](Cc1ccc(N(C)C)cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232841851 1038591975 /nfs/dbraw/zinc/59/19/75/1038591975.db2.gz UITBETWFSZDYHS-QGZVFWFLSA-N 0 3 391.556 3.927 20 10 GHCDHN COC(=O)CCN(Cc1ccco1)Cc1cc(Br)cc(C)c1O ZINC001233111007 1038902120 /nfs/dbraw/zinc/90/21/20/1038902120.db2.gz XHVCQNWGYTVBCZ-UHFFFAOYSA-N 0 3 382.254 3.621 20 10 GHCDHN CCOC(=O)c1c(CN2CCC[C@@](C)(C(=O)OCC)C2)c2ccccc2n1C ZINC001233272870 1039040737 /nfs/dbraw/zinc/04/07/37/1039040737.db2.gz FOIGUHWCVDFTLG-JOCHJYFZSA-N 0 3 386.492 3.520 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1O ZINC001233288440 1039067823 /nfs/dbraw/zinc/06/78/23/1039067823.db2.gz KXOHRIIUMLWYLE-KZNAEPCWSA-N 0 3 381.900 3.603 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c1[O-] ZINC001233289694 1039072267 /nfs/dbraw/zinc/07/22/67/1039072267.db2.gz IBDQQINMRUEUEH-IBGZPJMESA-N 0 3 386.879 3.508 20 10 GHCDHN COc1ccc([C@@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001253313583 1039550895 /nfs/dbraw/zinc/55/08/95/1039550895.db2.gz ZPSBRAMEBYFXQH-QFIPXVFZSA-N 0 3 383.511 3.923 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233746004 1039586512 /nfs/dbraw/zinc/58/65/12/1039586512.db2.gz QZUAHWNZOADOMQ-KSSFIOAISA-N 0 3 389.414 3.698 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233746004 1039586528 /nfs/dbraw/zinc/58/65/28/1039586528.db2.gz QZUAHWNZOADOMQ-KSSFIOAISA-N 0 3 389.414 3.698 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)c2c1 ZINC001234526090 1040101019 /nfs/dbraw/zinc/10/10/19/1040101019.db2.gz QIFCVYZGZALTRT-OXQOHEQNSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)c2c1 ZINC001234526090 1040101025 /nfs/dbraw/zinc/10/10/25/1040101025.db2.gz QIFCVYZGZALTRT-OXQOHEQNSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@H]4CN(Cc5cccnc5)C[C@@H]4C3)c2c1 ZINC001234536982 1040109889 /nfs/dbraw/zinc/10/98/89/1040109889.db2.gz VDISVUGQLAKLCO-WOJBJXKFSA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCCCN4C(C)=O)CC3)c2c1 ZINC001234544948 1040117598 /nfs/dbraw/zinc/11/75/98/1040117598.db2.gz NUUPGWLUAOBVLG-UHFFFAOYSA-N 0 3 382.504 3.921 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(CCCN4C(=O)C(C)C)C3)c2c1 ZINC001234545427 1040117619 /nfs/dbraw/zinc/11/76/19/1040117619.db2.gz QYCAFFSROLKLFP-HSZRJFAPSA-N 0 3 382.504 3.777 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(CCCN4C(=O)C(C)C)C3)c2c1 ZINC001234545427 1040117625 /nfs/dbraw/zinc/11/76/25/1040117625.db2.gz QYCAFFSROLKLFP-HSZRJFAPSA-N 0 3 382.504 3.777 20 10 GHCDHN CCN1CCN(c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001234658149 1040193624 /nfs/dbraw/zinc/19/36/24/1040193624.db2.gz VGTAXWDEYLHRFJ-UHFFFAOYSA-N 0 3 389.540 3.607 20 10 GHCDHN CCc1ccc2oc(-c3ccc(O)c(O)c3)c(OC3CCN(C)CC3)c(=O)c2c1 ZINC001234683762 1040214638 /nfs/dbraw/zinc/21/46/38/1040214638.db2.gz ZEBAOZULWUTWFP-UHFFFAOYSA-N 0 3 395.455 3.907 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+]Cc3cccc(O)c3[O-])C2)CC1 ZINC001254732863 1040491184 /nfs/dbraw/zinc/49/11/84/1040491184.db2.gz FTIUTEWHECZTPC-INIZCTEOSA-N 0 3 376.497 3.757 20 10 GHCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)c1ccncc1 ZINC001234999513 1040494315 /nfs/dbraw/zinc/49/43/15/1040494315.db2.gz WEVOFGPLEAASMH-OAQYLSRUSA-N 0 3 387.483 3.849 20 10 GHCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)c1ccncc1 ZINC001234999513 1040494328 /nfs/dbraw/zinc/49/43/28/1040494328.db2.gz WEVOFGPLEAASMH-OAQYLSRUSA-N 0 3 387.483 3.849 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C[C@]12CCN(c1cccnc1)C2=O ZINC001235684685 1041155254 /nfs/dbraw/zinc/15/52/54/1041155254.db2.gz ZOZNKEOHQSJATP-MZNJEOGPSA-N 0 3 393.531 3.960 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C[C@]12CCN(c1cccnc1)C2=O ZINC001235684685 1041155267 /nfs/dbraw/zinc/15/52/67/1041155267.db2.gz ZOZNKEOHQSJATP-MZNJEOGPSA-N 0 3 393.531 3.960 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c1[O-] ZINC001462525323 1070328165 /nfs/dbraw/zinc/32/81/65/1070328165.db2.gz VCYZSHCWABXQDZ-CZIWCDLHSA-N 0 3 375.852 3.666 20 10 GHCDHN COc1cc(O)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1OC ZINC001236749247 1041871072 /nfs/dbraw/zinc/87/10/72/1041871072.db2.gz AUNKVPBCZVTGPV-UHFFFAOYSA-N 0 3 377.868 3.546 20 10 GHCDHN COc1cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])cc1Br ZINC001236751666 1041872917 /nfs/dbraw/zinc/87/29/17/1041872917.db2.gz WIUCQFTZVIEZPE-CQSZACIVSA-N 0 3 378.266 3.599 20 10 GHCDHN COc1cc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])cc1Br ZINC001236751666 1041872932 /nfs/dbraw/zinc/87/29/32/1041872932.db2.gz WIUCQFTZVIEZPE-CQSZACIVSA-N 0 3 378.266 3.599 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c([O-])c1 ZINC001236786656 1041892718 /nfs/dbraw/zinc/89/27/18/1041892718.db2.gz GIUGSTMYBTWJRK-JOCHJYFZSA-N 0 3 386.442 3.862 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c([O-])c1 ZINC001236786656 1041892724 /nfs/dbraw/zinc/89/27/24/1041892724.db2.gz GIUGSTMYBTWJRK-JOCHJYFZSA-N 0 3 386.442 3.862 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)c([O-])c1 ZINC001236787492 1041893465 /nfs/dbraw/zinc/89/34/65/1041893465.db2.gz VUJUDGISYCXORA-UHFFFAOYSA-N 0 3 399.560 3.877 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001236807467 1041908597 /nfs/dbraw/zinc/90/85/97/1041908597.db2.gz DNLMHGQFHRUKKB-GMAHTHKFSA-N 0 3 386.536 3.855 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001236807467 1041908602 /nfs/dbraw/zinc/90/86/02/1041908602.db2.gz DNLMHGQFHRUKKB-GMAHTHKFSA-N 0 3 386.536 3.855 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c([O-])c1 ZINC001236809102 1041909438 /nfs/dbraw/zinc/90/94/38/1041909438.db2.gz DGGJOEQUEKXOGQ-LJQANCHMSA-N 0 3 389.536 3.755 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236812611 1041912123 /nfs/dbraw/zinc/91/21/23/1041912123.db2.gz CFNZUQPRPQYIFC-IBGZPJMESA-N 0 3 390.524 3.979 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c([O-])c1 ZINC001236813504 1041912345 /nfs/dbraw/zinc/91/23/45/1041912345.db2.gz LIKIAHFDJGHZPJ-UHFFFAOYSA-N 0 3 380.448 3.534 20 10 GHCDHN NC(=O)c1ccc(OC2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)cc1 ZINC001236838255 1041923384 /nfs/dbraw/zinc/92/33/84/1041923384.db2.gz XOXKBTFYZWBXET-UHFFFAOYSA-N 0 3 376.456 3.688 20 10 GHCDHN Oc1ccc2cc(Br)ccc2c1CN1CCN[C@@H](C(F)(F)F)C1 ZINC001236994342 1041982079 /nfs/dbraw/zinc/98/20/79/1041982079.db2.gz BPOTUMVHMOUPSY-OAHLLOKOSA-N 0 3 389.215 3.644 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c([O-])c1 ZINC001237040282 1042000603 /nfs/dbraw/zinc/00/06/03/1042000603.db2.gz GMUAFRKMBOWACZ-NRFANRHFSA-N 0 3 398.503 3.526 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001237049508 1042008929 /nfs/dbraw/zinc/00/89/29/1042008929.db2.gz GXVADYHUHLYDQG-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001237049508 1042008935 /nfs/dbraw/zinc/00/89/35/1042008935.db2.gz GXVADYHUHLYDQG-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001237049504 1042009658 /nfs/dbraw/zinc/00/96/58/1042009658.db2.gz GXVADYHUHLYDQG-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001237049504 1042009666 /nfs/dbraw/zinc/00/96/66/1042009666.db2.gz GXVADYHUHLYDQG-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)c([O-])c1 ZINC001237050960 1042009778 /nfs/dbraw/zinc/00/97/78/1042009778.db2.gz HYRZCHLHKBPPQB-FYYLOGMGSA-N 0 3 395.503 3.530 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)c([O-])c1 ZINC001237050960 1042009784 /nfs/dbraw/zinc/00/97/84/1042009784.db2.gz HYRZCHLHKBPPQB-FYYLOGMGSA-N 0 3 395.503 3.530 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001237053367 1042011774 /nfs/dbraw/zinc/01/17/74/1042011774.db2.gz KRHABXQPLLYQCI-CQSZACIVSA-N 0 3 387.320 3.613 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001237053367 1042011780 /nfs/dbraw/zinc/01/17/80/1042011780.db2.gz KRHABXQPLLYQCI-CQSZACIVSA-N 0 3 387.320 3.613 20 10 GHCDHN Cn1ccc(CN2CCCC23CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC3)n1 ZINC001237125725 1042054007 /nfs/dbraw/zinc/05/40/07/1042054007.db2.gz UVUHZYPLGMTFNB-UHFFFAOYSA-N 0 3 392.906 3.549 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275510 1042118685 /nfs/dbraw/zinc/11/86/85/1042118685.db2.gz PAILQPNTSLCTBU-UHFFFAOYSA-N 0 3 387.321 3.792 20 10 GHCDHN COCC[N@H+](Cc1c(C)cccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237487807 1042231422 /nfs/dbraw/zinc/23/14/22/1042231422.db2.gz NIBJOISNUWWQCA-UHFFFAOYSA-N 0 3 378.513 3.549 20 10 GHCDHN COCC[N@@H+](Cc1c(C)cccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237487807 1042231425 /nfs/dbraw/zinc/23/14/25/1042231425.db2.gz NIBJOISNUWWQCA-UHFFFAOYSA-N 0 3 378.513 3.549 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001237488392 1042231507 /nfs/dbraw/zinc/23/15/07/1042231507.db2.gz LFFXBBIDNNSIGJ-DHIUTWEWSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC001237488392 1042231510 /nfs/dbraw/zinc/23/15/10/1042231510.db2.gz LFFXBBIDNNSIGJ-DHIUTWEWSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1Br ZINC001237679791 1042321019 /nfs/dbraw/zinc/32/10/19/1042321019.db2.gz ULBUXRHGYVJUJB-CYBMUJFWSA-N 0 3 399.329 3.810 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1Br ZINC001237679791 1042321025 /nfs/dbraw/zinc/32/10/25/1042321025.db2.gz ULBUXRHGYVJUJB-CYBMUJFWSA-N 0 3 399.329 3.810 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1[O-] ZINC001237686603 1042326535 /nfs/dbraw/zinc/32/65/35/1042326535.db2.gz SFPMMECBSMEOIJ-HZPDHXFCSA-N 0 3 376.909 3.620 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1[O-] ZINC001238061419 1042479344 /nfs/dbraw/zinc/47/93/44/1042479344.db2.gz MKJLMYWRYVLULG-PWRODBHTSA-N 0 3 386.467 3.573 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1[O-] ZINC001238061419 1042479351 /nfs/dbraw/zinc/47/93/51/1042479351.db2.gz MKJLMYWRYVLULG-PWRODBHTSA-N 0 3 386.467 3.573 20 10 GHCDHN COc1cc(C)c(CNc2ccc(N3CCN(C)CC3)c3ccncc23)c(O)c1 ZINC001462663429 1070453678 /nfs/dbraw/zinc/45/36/78/1070453678.db2.gz FWALQVLPWAOBBR-UHFFFAOYSA-N 0 3 392.503 3.621 20 10 GHCDHN C[C@H](Cc1cccnc1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001258633409 1044679751 /nfs/dbraw/zinc/67/97/51/1044679751.db2.gz SWYZJHPPBDFZCG-HXUWFJFHSA-N 0 3 388.515 3.809 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(N(C)C)cc1 ZINC001307695711 1049514124 /nfs/dbraw/zinc/51/41/24/1049514124.db2.gz OKXHWPUMZZXCPJ-OLZOCXBDSA-N 0 3 391.418 3.752 20 10 GHCDHN COc1cc(C)c(CN(CCO)Cc2cc(Br)cs2)c(O)c1 ZINC001308689079 1050060344 /nfs/dbraw/zinc/06/03/44/1050060344.db2.gz ZLYOAWTVMGLGRG-UHFFFAOYSA-N 0 3 386.311 3.528 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC001308796694 1050098064 /nfs/dbraw/zinc/09/80/64/1050098064.db2.gz SHPQWYOBEDNJNU-HNNXBMFYSA-N 0 3 379.273 3.971 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC001308875738 1050133844 /nfs/dbraw/zinc/13/38/44/1050133844.db2.gz HWVJNDFCMYGIJG-UHFFFAOYSA-N 0 3 396.531 3.515 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC001308875738 1050133846 /nfs/dbraw/zinc/13/38/46/1050133846.db2.gz HWVJNDFCMYGIJG-UHFFFAOYSA-N 0 3 396.531 3.515 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@H](C3CCOCC3)C2)c2cc(F)ccc2n1C ZINC001308953233 1050212908 /nfs/dbraw/zinc/21/29/08/1050212908.db2.gz UFMUMSVOYDMRHY-INIZCTEOSA-N 0 3 388.483 3.743 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC001311627758 1052288915 /nfs/dbraw/zinc/28/89/15/1052288915.db2.gz OWOAZLIRVYCBLT-JOCHJYFZSA-N 0 3 382.552 3.943 20 10 GHCDHN Cc1cccc2c1CC[C@H]2NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311915973 1052473321 /nfs/dbraw/zinc/47/33/21/1052473321.db2.gz XVZBZZQAFNKKSJ-YADHBBJMSA-N 0 3 380.536 3.650 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](C3CCCCC3)C2)N(C)C)cc1 ZINC001313410075 1053045442 /nfs/dbraw/zinc/04/54/42/1053045442.db2.gz DLEBHJCHNMIAFA-IRLDBZIGSA-N 0 3 386.584 3.967 20 10 GHCDHN COc1ccc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001313411882 1053046132 /nfs/dbraw/zinc/04/61/32/1053046132.db2.gz KBOYHELMBRVFBA-NRFANRHFSA-N 0 3 398.551 3.514 20 10 GHCDHN C[C@H](c1ccccc1F)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313411832 1053046354 /nfs/dbraw/zinc/04/63/54/1053046354.db2.gz JHULPHYNJZXNRJ-IIBYNOLFSA-N 0 3 386.515 3.897 20 10 GHCDHN CN1CCN(c2ccc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2F)CC1 ZINC001319687658 1055397465 /nfs/dbraw/zinc/39/74/65/1055397465.db2.gz RHZCWVLZICSGKB-UHFFFAOYSA-N 0 3 398.482 3.650 20 10 GHCDHN Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001320181281 1055695497 /nfs/dbraw/zinc/69/54/97/1055695497.db2.gz WQXIGDPBBHVTFK-SFHVURJKSA-N 0 3 397.523 3.773 20 10 GHCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cc(C3CC3)[nH]n2)C1 ZINC000848011499 1056393782 /nfs/dbraw/zinc/39/37/82/1056393782.db2.gz OUESGXFSRONZFJ-UHFFFAOYSA-N 0 3 392.503 3.752 20 10 GHCDHN C[C@@H](NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC001322629377 1056776209 /nfs/dbraw/zinc/77/62/09/1056776209.db2.gz MCLXDWOJBQYSIA-MRXNPFEDSA-N 0 3 397.494 3.862 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000848517745 1057144660 /nfs/dbraw/zinc/14/46/60/1057144660.db2.gz FVEYBLBYRHAUGY-ZUZCIYMTSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1[O-] ZINC000848519422 1057144845 /nfs/dbraw/zinc/14/48/45/1057144845.db2.gz BSVJFORZNKXAOX-BONVTDFDSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c1[O-] ZINC000848536075 1057157730 /nfs/dbraw/zinc/15/77/30/1057157730.db2.gz NIYMDJIHJFZYBD-OGHNNQOOSA-N 0 3 394.309 3.806 20 10 GHCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000848549044 1057171149 /nfs/dbraw/zinc/17/11/49/1057171149.db2.gz JTCKQGRFKRQWOF-WZRBSPASSA-N 0 3 386.286 3.546 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CF)CCOCC2)c1[O-] ZINC000848554309 1057174807 /nfs/dbraw/zinc/17/48/07/1057174807.db2.gz SQFUBMQAYRBCRA-NSHDSACASA-N 0 3 376.266 3.580 20 10 GHCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC001439961191 1058368781 /nfs/dbraw/zinc/36/87/81/1058368781.db2.gz PJJBBPLFXHNHJL-JLTOFOAXSA-N 0 3 375.463 3.553 20 10 GHCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC001439961192 1058369011 /nfs/dbraw/zinc/36/90/11/1058369011.db2.gz PJJBBPLFXHNHJL-VBKZILBWSA-N 0 3 375.463 3.553 20 10 GHCDHN CCc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c([O-])c1 ZINC001464442752 1065011509 /nfs/dbraw/zinc/01/15/09/1065011509.db2.gz IWZMYXJKFVGKBQ-UHFFFAOYSA-N 0 3 379.504 3.739 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1ccccc1Br ZINC001464984125 1065306446 /nfs/dbraw/zinc/30/64/46/1065306446.db2.gz YNLRJPDBMBFFRH-HNNXBMFYSA-N 0 3 390.325 3.681 20 10 GHCDHN C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC001477627111 1078497286 /nfs/dbraw/zinc/49/72/86/1078497286.db2.gz LMPRRXICNSDNAJ-GOSISDBHSA-N 0 3 394.563 3.950 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(c3ccc(F)cc3)CCC2)N(C)C)cc1 ZINC001471548966 1073127473 /nfs/dbraw/zinc/12/74/73/1073127473.db2.gz YTGHMZDNSKXQTH-NRFANRHFSA-N 0 3 398.526 3.873 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](C3CCC3)CC2)N(C)C)cc1 ZINC001479534621 1079224561 /nfs/dbraw/zinc/22/45/61/1079224561.db2.gz NQYKNAMIHAKSQW-SIKLNZKXSA-N 0 3 386.584 3.967 20 10 GHCDHN CC[C@@](C)(NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001479535705 1079224878 /nfs/dbraw/zinc/22/48/78/1079224878.db2.gz WZRLKWOANGICFJ-JTHBVZDNSA-N 0 3 382.552 3.980 20 10 GHCDHN CCC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CCN1Cc1ccccc1 ZINC001474389452 1074380405 /nfs/dbraw/zinc/38/04/05/1074380405.db2.gz BYXSDWXJBZZQGQ-FQEVSTJZSA-N 0 3 384.520 3.896 20 10 GHCDHN COc1cc(C)c(C[NH2+]CCN(Cc2ccccc2)c2ccccn2)c([O-])c1 ZINC001474698230 1074522043 /nfs/dbraw/zinc/52/20/43/1074522043.db2.gz OWRXAXHMMJWOQC-UHFFFAOYSA-N 0 3 377.488 3.901 20 10 GHCDHN Cc1ccc(O)c(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000737364633 598887562 /nfs/dbraw/zinc/88/75/62/598887562.db2.gz MTQZHCFTLDNGPI-UHFFFAOYSA-N 0 3 377.473 3.899 20 10 GHCDHN Cc1ccc(O)c(C[NH2+]Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000737364633 598887563 /nfs/dbraw/zinc/88/75/63/598887563.db2.gz MTQZHCFTLDNGPI-UHFFFAOYSA-N 0 3 377.473 3.899 20 10 GHCDHN COc1ccc(CNC(=O)CN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000177924219 837403486 /nfs/dbraw/zinc/40/34/86/837403486.db2.gz WYMMKZCASPMYFT-GOSISDBHSA-N 0 3 381.520 3.653 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2sccc2Br)N(C)C)cc1 ZINC000891251592 839337853 /nfs/dbraw/zinc/33/78/53/839337853.db2.gz BYTYISWMEYAPQD-HNNXBMFYSA-N 0 3 396.354 3.609 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000124560109 840992760 /nfs/dbraw/zinc/99/27/60/840992760.db2.gz DDWAYKPOPJGBBO-UHFFFAOYSA-N 0 3 376.485 3.872 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(C(F)F)c(F)c3)cc2)C1 ZINC000893329898 841377310 /nfs/dbraw/zinc/37/73/10/841377310.db2.gz URKQZMMXMHRNTA-MRXNPFEDSA-N 0 3 391.437 3.755 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(-n4cccn4)c3)c2)CC1 ZINC000162983816 842047169 /nfs/dbraw/zinc/04/71/69/842047169.db2.gz IKWVWEQKHHAZSE-UHFFFAOYSA-N 0 3 389.503 3.655 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCCc1c(F)cccc1F ZINC000731845965 861904898 /nfs/dbraw/zinc/90/48/98/861904898.db2.gz PQJGVFHQPXAOOS-UHFFFAOYSA-N 0 3 388.458 3.774 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCCc1c(F)cccc1F ZINC000731845965 861904913 /nfs/dbraw/zinc/90/49/13/861904913.db2.gz PQJGVFHQPXAOOS-UHFFFAOYSA-N 0 3 388.458 3.774 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NCCN(C)Cc3ccccc3)ccc21 ZINC000486925024 850249517 /nfs/dbraw/zinc/24/95/17/850249517.db2.gz KIDBABGTXRGSGJ-UHFFFAOYSA-N 0 3 393.531 3.766 20 10 GHCDHN COc1ccc(CN[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)c1OC ZINC000894765220 852157818 /nfs/dbraw/zinc/15/78/18/852157818.db2.gz XYRPLWXFNIXAAK-GOSISDBHSA-N 0 3 386.275 3.714 20 10 GHCDHN CCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c(O)c1 ZINC000765811527 855018386 /nfs/dbraw/zinc/01/83/86/855018386.db2.gz YTEHEODNUSKDLD-RTWAWAEBSA-N 0 3 390.911 3.606 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000765895626 855925530 /nfs/dbraw/zinc/92/55/30/855925530.db2.gz XBGKENCGUWHLSE-WIYYLYMNSA-N 0 3 381.520 3.834 20 10 GHCDHN COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761191067 859036103 /nfs/dbraw/zinc/03/61/03/859036103.db2.gz KOJWBNIRWDBKPF-CQSZACIVSA-N 0 3 377.868 3.866 20 10 GHCDHN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761191067 859036112 /nfs/dbraw/zinc/03/61/12/859036112.db2.gz KOJWBNIRWDBKPF-CQSZACIVSA-N 0 3 377.868 3.866 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000161187930 859691739 /nfs/dbraw/zinc/69/17/39/859691739.db2.gz COYCOBJNLGIKKW-GOSISDBHSA-N 0 3 396.535 3.934 20 10 GHCDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765253721 859868030 /nfs/dbraw/zinc/86/80/30/859868030.db2.gz LKLNPXSUDHJVAW-IEBWSBKVSA-N 0 3 381.520 3.556 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3OC(F)F)c2)CC1 ZINC000184256668 864287658 /nfs/dbraw/zinc/28/76/58/864287658.db2.gz BKIUDBJVUFWDFM-UHFFFAOYSA-N 0 3 375.419 3.682 20 10 GHCDHN CN(c1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1)C1CCCCC1 ZINC000174392078 865796191 /nfs/dbraw/zinc/79/61/91/865796191.db2.gz KANZJKLDFGBFJG-QFIPXVFZSA-N 0 3 382.552 3.611 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000740909212 866082299 /nfs/dbraw/zinc/08/22/99/866082299.db2.gz KAJQYLCJAQSHFF-UGKGYDQZSA-N 0 3 390.531 3.698 20 10 GHCDHN Cn1c(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccc21 ZINC000174621899 866523020 /nfs/dbraw/zinc/52/30/20/866523020.db2.gz IOBHUAGJVCYYBM-OAHLLOKOSA-N 0 3 386.446 3.933 20 10 GHCDHN C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1[O-] ZINC000183534674 866833664 /nfs/dbraw/zinc/83/36/64/866833664.db2.gz HEYGRUTYSYIMSR-HNNXBMFYSA-N 0 3 394.562 3.522 20 10 GHCDHN Cc1ccc(N2CCC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000743474972 868223689 /nfs/dbraw/zinc/22/36/89/868223689.db2.gz WSBCXCWPXGYYFY-CVDCTZTESA-N 0 3 393.531 3.678 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000793603562 882308478 /nfs/dbraw/zinc/30/84/78/882308478.db2.gz BQKHZJRFLIIXJR-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000793603562 882308495 /nfs/dbraw/zinc/30/84/95/882308495.db2.gz BQKHZJRFLIIXJR-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccccc1[O-] ZINC000793572263 882322975 /nfs/dbraw/zinc/32/29/75/882322975.db2.gz XQHWJBZEXOZFMJ-WMZHIEFXSA-N 0 3 393.487 3.858 20 10 GHCDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193175524 870908791 /nfs/dbraw/zinc/90/87/91/870908791.db2.gz IZQHEEWWFFRKMS-MRXNPFEDSA-N 0 3 386.565 3.726 20 10 GHCDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000069754552 871471896 /nfs/dbraw/zinc/47/18/96/871471896.db2.gz VHMMQAYQYHEIKA-JOCHJYFZSA-N 0 3 395.547 3.995 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CNCC(=O)NCc2ccco2)cc1 ZINC000030641905 872347883 /nfs/dbraw/zinc/34/78/83/872347883.db2.gz GCNYSOUVGQFQET-UHFFFAOYSA-N 0 3 377.488 3.712 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nc4ccccc4s3)C1)[C@H](O)CO2 ZINC000768438185 873301246 /nfs/dbraw/zinc/30/12/46/873301246.db2.gz PAVFVKBRSSRXHL-SCLBCKFNSA-N 0 3 382.485 3.807 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3nc4ccccc4s3)C1)[C@H](O)CO2 ZINC000768438185 873301264 /nfs/dbraw/zinc/30/12/64/873301264.db2.gz PAVFVKBRSSRXHL-SCLBCKFNSA-N 0 3 382.485 3.807 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)c([O-])c1 ZINC000768908861 873676817 /nfs/dbraw/zinc/67/68/17/873676817.db2.gz FRUSVKQMKYPAJX-UHFFFAOYSA-N 0 3 387.476 3.852 20 10 GHCDHN CC(C)OCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775829327 874284932 /nfs/dbraw/zinc/28/49/32/874284932.db2.gz XZZCBQZJSLNNLX-GOSISDBHSA-N 0 3 383.536 3.645 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1[O-] ZINC000769930942 874374484 /nfs/dbraw/zinc/37/44/84/874374484.db2.gz QSUZCBFUEYDBEQ-ACJLOTCBSA-N 0 3 393.325 3.944 20 10 GHCDHN CCCCC1(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001198553659 874500697 /nfs/dbraw/zinc/50/06/97/874500697.db2.gz PQZKVTBKCQDJDL-UHFFFAOYSA-N 0 3 376.456 3.713 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3c[nH]nc3-c3cccnc3)cc2F)C[C@H](C)O1 ZINC001199413526 874977028 /nfs/dbraw/zinc/97/70/28/874977028.db2.gz PUGSVJYVCPAFDM-IYBDPMFKSA-N 0 3 395.482 3.514 20 10 GHCDHN COCCc1nc(C)c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000771374060 875219591 /nfs/dbraw/zinc/21/95/91/875219591.db2.gz HOPDNNWKGQXPEF-HOTGVXAUSA-N 0 3 389.565 3.889 20 10 GHCDHN COCCc1nc(C)c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000771374061 875219887 /nfs/dbraw/zinc/21/98/87/875219887.db2.gz HOPDNNWKGQXPEF-HZPDHXFCSA-N 0 3 389.565 3.889 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000151586589 875632483 /nfs/dbraw/zinc/63/24/83/875632483.db2.gz JZWCOKPYHNBOAF-QGZVFWFLSA-N 0 3 385.527 3.951 20 10 GHCDHN CCOC(=O)c1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000776223130 875917358 /nfs/dbraw/zinc/91/73/58/875917358.db2.gz QWRVYOLHGOHWIJ-AWEZNQCLSA-N 0 3 394.418 3.816 20 10 GHCDHN CC(C)(C)OC(=O)c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000776258385 876052890 /nfs/dbraw/zinc/05/28/90/876052890.db2.gz XFAFKOHAGMJCLV-UHFFFAOYSA-N 0 3 382.504 3.768 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cc1 ZINC000850345812 876836064 /nfs/dbraw/zinc/83/60/64/876836064.db2.gz LBWGEFONXKYILX-CQSZACIVSA-N 0 3 393.390 3.573 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1OC(F)F ZINC000850404861 876885594 /nfs/dbraw/zinc/88/55/94/876885594.db2.gz FNSSFGVNZCTSCW-UHFFFAOYSA-N 0 3 392.446 3.548 20 10 GHCDHN CCOc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1OCC ZINC000850405974 876886635 /nfs/dbraw/zinc/88/66/35/876886635.db2.gz MHCPFMKQBWYCEQ-UHFFFAOYSA-N 0 3 384.520 3.735 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)c1[O-] ZINC000858455442 883112675 /nfs/dbraw/zinc/11/26/75/883112675.db2.gz YIZXWSXWGPYKNC-WBMJQRKESA-N 0 3 392.293 3.955 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1)C1CCCC1)cc2=O ZINC000109800969 877460669 /nfs/dbraw/zinc/46/06/69/877460669.db2.gz MIVIHFAVZPFQIO-FQEVSTJZSA-N 0 3 394.475 3.633 20 10 GHCDHN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000787681221 877551913 /nfs/dbraw/zinc/55/19/13/877551913.db2.gz ATYRNSVTHWFODS-QGZVFWFLSA-N 0 3 399.510 3.559 20 10 GHCDHN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000238045491 878629676 /nfs/dbraw/zinc/62/96/76/878629676.db2.gz BYHACNBIUSABAA-UHFFFAOYSA-N 0 3 375.310 3.909 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000180572443 879056975 /nfs/dbraw/zinc/05/69/75/879056975.db2.gz PZDYTTAJDFFXQF-SFHVURJKSA-N 0 3 398.400 3.713 20 10 GHCDHN O=C(NCCCSc1nccs1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000114139713 881151241 /nfs/dbraw/zinc/15/12/41/881151241.db2.gz MRZPOZQDBQRZAF-INIZCTEOSA-N 0 3 393.553 3.793 20 10 GHCDHN CCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001183572679 912653324 /nfs/dbraw/zinc/65/33/24/912653324.db2.gz ORLFERJDQNWXDV-UHFFFAOYSA-N 0 3 378.513 3.979 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000858493385 883146029 /nfs/dbraw/zinc/14/60/29/883146029.db2.gz SLUWGWDJAFNRAF-ZFWWWQNUSA-N 0 3 394.487 3.743 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)c1[O-] ZINC000858533061 883178383 /nfs/dbraw/zinc/17/83/83/883178383.db2.gz QGVCTANLYCWRMU-DOMZBBRYSA-N 0 3 383.330 3.831 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000858531967 883178680 /nfs/dbraw/zinc/17/86/80/883178680.db2.gz GAJCZSGYHJMRJK-ZFWWWQNUSA-N 0 3 382.476 3.601 20 10 GHCDHN Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001183833436 912838361 /nfs/dbraw/zinc/83/83/61/912838361.db2.gz PGJGKOBIZHYKBF-UHFFFAOYSA-N 0 3 392.219 3.777 20 10 GHCDHN CN(C)C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC000806433184 884670231 /nfs/dbraw/zinc/67/02/31/884670231.db2.gz QSRRUWAQWDPECA-OAQYLSRUSA-N 0 3 384.499 3.528 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000806464369 884730932 /nfs/dbraw/zinc/73/09/32/884730932.db2.gz GQEORKDQLXTPEZ-JOCHJYFZSA-N 0 3 398.551 3.644 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807141943 885260026 /nfs/dbraw/zinc/26/00/26/885260026.db2.gz XPBCMBXFPYKMQQ-NPPFBWRTSA-N 0 3 380.536 3.776 20 10 GHCDHN CN(C(=O)NCCCSc1nccs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762325211 886016038 /nfs/dbraw/zinc/01/60/38/886016038.db2.gz TZTOSACHENAEQP-KRWDZBQOSA-N 0 3 390.578 3.541 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762625734 886559600 /nfs/dbraw/zinc/55/96/00/886559600.db2.gz PTUQSQIGQHIARM-VBKZILBWSA-N 0 3 378.875 3.976 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c1[O-] ZINC000808693153 886647418 /nfs/dbraw/zinc/64/74/18/886647418.db2.gz XUCOOZZAXNHULI-UTKZUKDTSA-N 0 3 387.955 3.993 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000808729804 886746480 /nfs/dbraw/zinc/74/64/80/886746480.db2.gz PPGIEQXDWCMYOT-GEWABHDNSA-N 0 3 378.266 3.608 20 10 GHCDHN C[C@H]1OCC[C@]12C[N@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670287 887716082 /nfs/dbraw/zinc/71/60/82/887716082.db2.gz VZIRMYXYEDBFAT-YJYMSZOUSA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@H]1OCC[C@]12C[N@@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670287 887716096 /nfs/dbraw/zinc/71/60/96/887716096.db2.gz VZIRMYXYEDBFAT-YJYMSZOUSA-N 0 3 392.293 3.688 20 10 GHCDHN Cc1cc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC000915876310 888090860 /nfs/dbraw/zinc/09/08/60/888090860.db2.gz BBOUCCPMRWUVGY-MRXNPFEDSA-N 0 3 383.517 3.592 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210417 888322398 /nfs/dbraw/zinc/32/23/98/888322398.db2.gz UMGWJUGZUPQJMG-MSOLQXFVSA-N 0 3 387.490 3.724 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000763339400 888513096 /nfs/dbraw/zinc/51/30/96/888513096.db2.gz QQUUWOQVQIEJMT-DYESRHJHSA-N 0 3 393.531 3.749 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000763339400 888513107 /nfs/dbraw/zinc/51/31/07/888513107.db2.gz QQUUWOQVQIEJMT-DYESRHJHSA-N 0 3 393.531 3.749 20 10 GHCDHN CCOc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c([O-])c1 ZINC000729684188 888525061 /nfs/dbraw/zinc/52/50/61/888525061.db2.gz MQISZQTVMMZNBI-UHFFFAOYSA-N 0 3 396.281 3.860 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000916459138 889020243 /nfs/dbraw/zinc/02/02/43/889020243.db2.gz DGOVHKLKJAYWFA-UHFFFAOYSA-N 0 3 394.563 3.733 20 10 GHCDHN CCN(CC)c1ccc(CNCc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000916837178 890273421 /nfs/dbraw/zinc/27/34/21/890273421.db2.gz JUPWSXAGGGWMJD-UHFFFAOYSA-N 0 3 395.547 3.824 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3ccc4nccnc4c3)cc2F)C[C@H](C)O1 ZINC000873015239 891430047 /nfs/dbraw/zinc/43/00/47/891430047.db2.gz HIHXLKIPLADWFK-IYBDPMFKSA-N 0 3 380.467 3.672 20 10 GHCDHN CC(C)CN1CCC2(CCN(Cc3ccc(N(C)C)cc3Cl)CC2)C1=O ZINC001275370897 913591458 /nfs/dbraw/zinc/59/14/58/913591458.db2.gz QXRCTUSIJVNMGG-UHFFFAOYSA-N 0 3 377.960 3.877 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000813785116 891968792 /nfs/dbraw/zinc/96/87/92/891968792.db2.gz IBDTUNPVYACWCY-OAHLLOKOSA-N 0 3 376.497 3.813 20 10 GHCDHN Cn1cnc2cc(C[NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)ccc21 ZINC000774814061 913618086 /nfs/dbraw/zinc/61/80/86/913618086.db2.gz GLBAONAIGUDCOK-GOSISDBHSA-N 0 3 384.911 3.687 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc([C@@H]3CCCOC3)cc2)N(C)C)cc1 ZINC001134686832 893201189 /nfs/dbraw/zinc/20/11/89/893201189.db2.gz XWDWOIRZWHENCB-GGAORHGYSA-N 0 3 395.547 3.679 20 10 GHCDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C)n(-c3ccccn3)c2C)o1 ZINC000126061428 893257601 /nfs/dbraw/zinc/25/76/01/893257601.db2.gz DQFVDCWBPCSDLO-UHFFFAOYSA-N 0 3 380.492 3.595 20 10 GHCDHN COc1cccc(C(F)F)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881740 893465383 /nfs/dbraw/zinc/46/53/83/893465383.db2.gz GGLFGYPXMHHPSY-KRWDZBQOSA-N 0 3 391.462 3.732 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCc3ccccc3C2)N(C)C)cc1 ZINC001134882055 893505048 /nfs/dbraw/zinc/50/50/48/893505048.db2.gz KYNNTDZEYGEAOF-ISKFKSNPSA-N 0 3 379.548 3.667 20 10 GHCDHN CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816542344 894912412 /nfs/dbraw/zinc/91/24/12/894912412.db2.gz LPGHACOYONCNQH-UHFFFAOYSA-N 0 3 398.528 3.912 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)N(C)C)cc1 ZINC001135714375 895148557 /nfs/dbraw/zinc/14/85/57/895148557.db2.gz HNTZNEFWULPCTF-MRXNPFEDSA-N 0 3 384.501 3.908 20 10 GHCDHN C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817969699 895988513 /nfs/dbraw/zinc/98/85/13/895988513.db2.gz YCBQZWYKMGIPEB-RVBZMBCESA-N 0 3 392.135 3.566 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 ZINC000818219150 896082559 /nfs/dbraw/zinc/08/25/59/896082559.db2.gz CKTPFLZMFUEULN-CQSZACIVSA-N 0 3 375.856 3.873 20 10 GHCDHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000028312597 897752725 /nfs/dbraw/zinc/75/27/25/897752725.db2.gz NGZZJRWCYMKLSJ-UHFFFAOYSA-N 0 3 392.503 3.604 20 10 GHCDHN COC(=O)CC[N@H+](Cc1ccncc1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000132790597 897908314 /nfs/dbraw/zinc/90/83/14/897908314.db2.gz FYJSKRCTOOTKCC-UHFFFAOYSA-N 0 3 380.444 3.514 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1ccncc1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000132790597 897908324 /nfs/dbraw/zinc/90/83/24/897908324.db2.gz FYJSKRCTOOTKCC-UHFFFAOYSA-N 0 3 380.444 3.514 20 10 GHCDHN COc1cc(CNCc2ccc(N(C)C)cc2)cc(OC)c1OCC(F)F ZINC000289623401 914268650 /nfs/dbraw/zinc/26/86/50/914268650.db2.gz FVQXENVKFRORML-UHFFFAOYSA-N 0 3 380.435 3.704 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824952544 899903337 /nfs/dbraw/zinc/90/33/37/899903337.db2.gz CSFRORKFXFHESW-SJORKVTESA-N 0 3 377.282 3.868 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124185 899993530 /nfs/dbraw/zinc/99/35/30/899993530.db2.gz JSNZQHKOPFLFGE-QFBILLFUSA-N 0 3 381.394 3.716 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124185 899993536 /nfs/dbraw/zinc/99/35/36/899993536.db2.gz JSNZQHKOPFLFGE-QFBILLFUSA-N 0 3 381.394 3.716 20 10 GHCDHN CCOC(=O)C1CCN(c2ccccc2C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC001144103203 901070063 /nfs/dbraw/zinc/07/00/63/901070063.db2.gz WERNOCQGEKBKOE-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN CCOC(=O)C1CCN(c2ccccc2C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001144103203 901070073 /nfs/dbraw/zinc/07/00/73/901070073.db2.gz WERNOCQGEKBKOE-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN CN(C)Cc1cnc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000796317147 914511178 /nfs/dbraw/zinc/51/11/78/914511178.db2.gz XQBMQDYFGCJTBA-AWEZNQCLSA-N 0 3 396.507 3.565 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000846113959 902690242 /nfs/dbraw/zinc/69/02/42/902690242.db2.gz RGSPQIVFVIPSAX-GGPKGHCWSA-N 0 3 390.524 3.819 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000846113959 902690247 /nfs/dbraw/zinc/69/02/47/902690247.db2.gz RGSPQIVFVIPSAX-GGPKGHCWSA-N 0 3 390.524 3.819 20 10 GHCDHN COc1cc(I)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC001248405723 904688432 /nfs/dbraw/zinc/68/84/32/904688432.db2.gz XKBCMVJKVBTBKK-ZDUSSCGKSA-N 0 3 375.250 3.626 20 10 GHCDHN COc1cc(I)cc(C[N@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC001248405723 904688434 /nfs/dbraw/zinc/68/84/34/904688434.db2.gz XKBCMVJKVBTBKK-ZDUSSCGKSA-N 0 3 375.250 3.626 20 10 GHCDHN C[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178502559 906353444 /nfs/dbraw/zinc/35/34/44/906353444.db2.gz MQITZAJLGXZLDG-SFHVURJKSA-N 0 3 394.494 3.758 20 10 GHCDHN CCOc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000299159433 921229013 /nfs/dbraw/zinc/22/90/13/921229013.db2.gz KLMKYVZPPRIWOP-UHFFFAOYSA-N 0 3 376.884 3.571 20 10 GHCDHN CCOc1cc(CNCc2ccc(N3CCOCC3)cc2)cc(Cl)c1O ZINC000299159433 921229015 /nfs/dbraw/zinc/22/90/15/921229015.db2.gz KLMKYVZPPRIWOP-UHFFFAOYSA-N 0 3 376.884 3.571 20 10 GHCDHN CC1(C)OCc2cc(CNCc3ccc(N4CCOCC4)c(F)c3)ccc2O1 ZINC000186367565 907913276 /nfs/dbraw/zinc/91/32/76/907913276.db2.gz PBCLQVZZKGOQMA-UHFFFAOYSA-N 0 3 386.467 3.597 20 10 GHCDHN C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773622710 908455334 /nfs/dbraw/zinc/45/53/34/908455334.db2.gz SKCGOTUZASGOKY-IBGZPJMESA-N 0 3 380.536 3.731 20 10 GHCDHN Brc1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC001177314954 908521620 /nfs/dbraw/zinc/52/16/20/908521620.db2.gz CIOCMLJZDSAYAR-UHFFFAOYSA-N 0 3 378.339 3.687 20 10 GHCDHN O=C1[C@@H](NCc2ccc3c(c2)CCCO3)CCCN1Cc1ccc(F)cc1F ZINC001178518987 909085805 /nfs/dbraw/zinc/08/58/05/909085805.db2.gz HGLHVWVLCKYCPO-FQEVSTJZSA-N 0 3 386.442 3.571 20 10 GHCDHN CN1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000245655436 909804068 /nfs/dbraw/zinc/80/40/68/909804068.db2.gz OCDBMDZKRIANAY-FCHUYYIVSA-N 0 3 378.520 3.531 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268953422 910080907 /nfs/dbraw/zinc/08/09/07/910080907.db2.gz YFGUYHMSNSKXPM-JKSUJKDBSA-N 0 3 397.494 3.593 20 10 GHCDHN COc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc(OC)c1OC ZINC000271023919 910758657 /nfs/dbraw/zinc/75/86/57/910758657.db2.gz VMEMATAZILNVQP-GOSISDBHSA-N 0 3 387.476 3.599 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000247216812 911042838 /nfs/dbraw/zinc/04/28/38/911042838.db2.gz XIKMBNJSECZZFP-IAGOWNOFSA-N 0 3 389.565 3.805 20 10 GHCDHN Fc1cc(CN2CCC(OCCc3ccccc3)CC2)ccc1N1CCOCC1 ZINC000092195462 911443215 /nfs/dbraw/zinc/44/32/15/911443215.db2.gz CKHIOZUJHPMKSS-UHFFFAOYSA-N 0 3 398.522 3.886 20 10 GHCDHN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483822 911789329 /nfs/dbraw/zinc/78/93/29/911789329.db2.gz LZTNLHZWRBLBEU-ULQDDVLXSA-N 0 3 399.535 3.686 20 10 GHCDHN C[C@@H](NCC(=O)Nc1cccc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000775255402 916657793 /nfs/dbraw/zinc/65/77/93/916657793.db2.gz OLRFEBCKBCHAFU-GOSISDBHSA-N 0 3 389.499 3.966 20 10 GHCDHN CC(C)c1cccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775257998 916681553 /nfs/dbraw/zinc/68/15/53/916681553.db2.gz OBGMSXKIDNDLFD-SFHVURJKSA-N 0 3 381.520 3.936 20 10 GHCDHN CC[C@@H](NCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccccc1O ZINC000775497235 918358998 /nfs/dbraw/zinc/35/89/98/918358998.db2.gz NOERTDIEKBKCGP-MRXNPFEDSA-N 0 3 382.551 3.725 20 10 GHCDHN Oc1ccccc1CN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCCO1 ZINC001192015008 918359184 /nfs/dbraw/zinc/35/91/84/918359184.db2.gz YNROWLWZGIMSAX-INIZCTEOSA-N 0 3 377.387 3.895 20 10 GHCDHN CCOc1cccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000113960589 919382581 /nfs/dbraw/zinc/38/25/81/919382581.db2.gz VFGJXJGURRLWHE-MRXNPFEDSA-N 0 3 394.393 3.705 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC2CCC2)c(OC)c1 ZINC000800855636 920532292 /nfs/dbraw/zinc/53/22/92/920532292.db2.gz KGFMHGGDFBBPSN-NRFANRHFSA-N 0 3 399.487 3.638 20 10 GHCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC2CCC2)c(OC)c1 ZINC000800855636 920532303 /nfs/dbraw/zinc/53/23/03/920532303.db2.gz KGFMHGGDFBBPSN-NRFANRHFSA-N 0 3 399.487 3.638 20 10 GHCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H](C)C2CC2)c(OC)c1 ZINC000800859986 920539169 /nfs/dbraw/zinc/53/91/69/920539169.db2.gz YOHULVPEEQNXLQ-SZNDQCEHSA-N 0 3 399.487 3.636 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H](C)C2CC2)c(OC)c1 ZINC000800859986 920539177 /nfs/dbraw/zinc/53/91/77/920539177.db2.gz YOHULVPEEQNXLQ-SZNDQCEHSA-N 0 3 399.487 3.636 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c([O-])c1 ZINC000725850330 926467673 /nfs/dbraw/zinc/46/76/73/926467673.db2.gz ZFPGXKYBNZGKMI-HXUWFJFHSA-N 0 3 390.911 3.607 20 10 GHCDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(C)n1-c1cccc(C(C)C)c1 ZINC000725896744 926482948 /nfs/dbraw/zinc/48/29/48/926482948.db2.gz OMEHNOCPXGEZSB-YADHBBJMSA-N 0 3 395.547 3.811 20 10 GHCDHN O=C(CCc1ccccc1)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000751597309 928265980 /nfs/dbraw/zinc/26/59/80/928265980.db2.gz XOTZWKICFIHUCB-UHFFFAOYSA-N 0 3 378.516 3.548 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3cnc(-c4ccncc4)s3)cc2)CC1 ZINC000753365685 929319304 /nfs/dbraw/zinc/31/93/04/929319304.db2.gz JVFOHIAUBZTGNU-UHFFFAOYSA-N 0 3 394.544 3.704 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C2CC2)cc1 ZINC000759659228 930442592 /nfs/dbraw/zinc/44/25/92/930442592.db2.gz NDPJSKXJXBBAGP-XZOQPEGZSA-N 0 3 392.547 3.872 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000798087527 932524371 /nfs/dbraw/zinc/52/43/71/932524371.db2.gz JOQHZRIWYVWUQS-PBHICJAKSA-N 0 3 395.341 3.734 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(F)(c3ccc(Cl)cc3)CC1)[C@H](O)CO2 ZINC000799145754 932887428 /nfs/dbraw/zinc/88/74/28/932887428.db2.gz KHTSENQEHMEWNV-GOSISDBHSA-N 0 3 377.843 3.932 20 10 GHCDHN COc1ccc(CNCc2ccc(NC(=O)C3CC3)cc2)cc1Cn1cccn1 ZINC001119088415 934308250 /nfs/dbraw/zinc/30/82/50/934308250.db2.gz WVAIGFLDGPYPIM-UHFFFAOYSA-N 0 3 390.487 3.578 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3ccc(C(C)(C)O)cc3)cc2F)C[C@H](C)O1 ZINC000830173247 935909274 /nfs/dbraw/zinc/90/92/74/935909274.db2.gz WYIHLDBNRRHUKG-CALCHBBNSA-N 0 3 386.511 3.957 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)N(C)C)cc1 ZINC001221082892 1032273970 /nfs/dbraw/zinc/27/39/70/1032273970.db2.gz GYCSISKKUAJTTP-HSZRJFAPSA-N 0 3 394.563 3.734 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(Br)cc1O ZINC001277191094 1032332174 /nfs/dbraw/zinc/33/21/74/1032332174.db2.gz DKEGIIXAOSYZPV-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)c(Br)cc1[O-] ZINC001277191094 1032332187 /nfs/dbraw/zinc/33/21/87/1032332187.db2.gz DKEGIIXAOSYZPV-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)c(Br)cc1[O-] ZINC001277191094 1032332191 /nfs/dbraw/zinc/33/21/91/1032332191.db2.gz DKEGIIXAOSYZPV-KBRIMQKVSA-N 0 3 395.341 3.827 20 10 GHCDHN CN(C)c1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)c2ccccc21 ZINC001204234045 1032679314 /nfs/dbraw/zinc/67/93/14/1032679314.db2.gz WGXLHCNWSJJBNM-JOCHJYFZSA-N 0 3 389.543 3.585 20 10 GHCDHN CCO[C@H]1C[C@@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1(C)C ZINC001204239532 1032683248 /nfs/dbraw/zinc/68/32/48/1032683248.db2.gz WQKIOPAAERPSMP-MSOLQXFVSA-N 0 3 376.472 3.739 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cn(C)c4ccccc34)CC2)cc1 ZINC001204318815 1032762932 /nfs/dbraw/zinc/76/29/32/1032762932.db2.gz CLRXPEWMIZEWFA-UHFFFAOYSA-N 0 3 379.504 3.526 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1[O-] ZINC000779021617 1020271215 /nfs/dbraw/zinc/27/12/15/1020271215.db2.gz CWGYGGVYDXJOLS-HNNXBMFYSA-N 0 3 397.357 3.759 20 10 GHCDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834555043 1021269990 /nfs/dbraw/zinc/26/99/90/1021269990.db2.gz KQXXJVSRGSMRKW-UZLBHIALSA-N 0 3 379.504 3.987 20 10 GHCDHN C[C@@H](c1ccccc1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140285355 1021316846 /nfs/dbraw/zinc/31/68/46/1021316846.db2.gz KICASJJYAIHVBG-FQEVSTJZSA-N 0 3 379.548 3.527 20 10 GHCDHN COC(=O)c1cccc([C@@H]2CCCN2Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC001140288013 1021322145 /nfs/dbraw/zinc/32/21/45/1021322145.db2.gz HKTMVLHRFQMKMC-QHCPKHFHSA-N 0 3 394.515 3.771 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000802653847 1021514681 /nfs/dbraw/zinc/51/46/81/1021514681.db2.gz BXYBEONDVAOTAD-LJQANCHMSA-N 0 3 384.904 3.791 20 10 GHCDHN Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834904562 1021654535 /nfs/dbraw/zinc/65/45/35/1021654535.db2.gz OOPPYXRFQWAQJI-GJZGRUSLSA-N 0 3 378.310 3.965 20 10 GHCDHN C[C@H]1C[C@@H](CF)N(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001140476047 1021771742 /nfs/dbraw/zinc/77/17/42/1021771742.db2.gz GEAIFDTZYZLNTF-PXNSSMCTSA-N 0 3 391.531 3.924 20 10 GHCDHN CN(C)c1ccc(/C=C/CNCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000835035995 1021791311 /nfs/dbraw/zinc/79/13/11/1021791311.db2.gz IMKGVTSGSJZAJP-ZMTJCJBESA-N 0 3 379.504 3.673 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(c3nccc4occc43)CC2)c(O)c1 ZINC001140856354 1022712447 /nfs/dbraw/zinc/71/24/47/1022712447.db2.gz YTRXBQVZVZRSLU-UHFFFAOYSA-N 0 3 380.492 3.702 20 10 GHCDHN Cc1ccc(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c(O)c1 ZINC001140950466 1022973111 /nfs/dbraw/zinc/97/31/11/1022973111.db2.gz UTGNNIDIGLQBQF-NFBKMPQASA-N 0 3 382.504 3.684 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)c(OC)c1 ZINC001141029514 1023280848 /nfs/dbraw/zinc/28/08/48/1023280848.db2.gz VEWWPUVSCRMFKF-UHFFFAOYSA-N 0 3 381.476 3.676 20 10 GHCDHN COC(=O)c1cccc(C2CC[NH+](Cc3c([O-])cc(OC)cc3OC)CC2)c1 ZINC001141030973 1023296806 /nfs/dbraw/zinc/29/68/06/1023296806.db2.gz SRAAWHLAQWHMMX-UHFFFAOYSA-N 0 3 385.460 3.576 20 10 GHCDHN Cc1cc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)ncn1 ZINC001141079227 1023445417 /nfs/dbraw/zinc/44/54/17/1023445417.db2.gz XRAYYPCEOVEPSI-UHFFFAOYSA-N 0 3 378.520 3.527 20 10 GHCDHN C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000756490360 1023683319 /nfs/dbraw/zinc/68/33/19/1023683319.db2.gz OTCMNCUGYCDHPL-SNVBAGLBSA-N 0 3 382.229 3.916 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c2c1c(F)ccc2[O-] ZINC000756591945 1023726008 /nfs/dbraw/zinc/72/60/08/1023726008.db2.gz HJIKUZYIEHPSSZ-FUEDEBDSSA-N 0 3 393.842 3.827 20 10 GHCDHN COc1ccnc(OC2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC001138222382 1024399393 /nfs/dbraw/zinc/39/93/93/1024399393.db2.gz VAIPVTYZFFYHCB-UHFFFAOYSA-N 0 3 382.508 3.519 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C4OCCO4)cc3)c2)CC1 ZINC000831530880 1024623552 /nfs/dbraw/zinc/62/35/52/1024623552.db2.gz NVDDAQPRSKTKRA-UHFFFAOYSA-N 0 3 395.503 3.515 20 10 GHCDHN Oc1c(CN2CCN(c3cccc(F)c3)CC2)cc2c3c1CCCN3CCC2 ZINC001138340860 1024702978 /nfs/dbraw/zinc/70/29/78/1024702978.db2.gz AXIZWZHGNCCKJT-UHFFFAOYSA-N 0 3 381.495 3.552 20 10 GHCDHN CN1CCCc2cc(CN3CCC(NC(=O)c4ccc(F)cc4)CC3)ccc21 ZINC001138359088 1024722403 /nfs/dbraw/zinc/72/24/03/1024722403.db2.gz KGVFWEMMUXMNOW-UHFFFAOYSA-N 0 3 381.495 3.603 20 10 GHCDHN CNC(=O)C1(NCc2ccc(N3CCCCC3)c(Br)c2)CCCC1 ZINC000839017404 1025521569 /nfs/dbraw/zinc/52/15/69/1025521569.db2.gz QAJATZWSUSRPTD-UHFFFAOYSA-N 0 3 394.357 3.588 20 10 GHCDHN Fc1cc(CNCc2c[nH]nc2-c2ccsc2)cc(F)c1N1CCOCC1 ZINC000839144673 1025639000 /nfs/dbraw/zinc/63/90/00/1025639000.db2.gz JFXSUDDZXRCFPC-UHFFFAOYSA-N 0 3 390.459 3.543 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccccc3-c3ncco3)CC2)cc1 ZINC001164333905 1026488334 /nfs/dbraw/zinc/48/83/34/1026488334.db2.gz HXCDEYXLRXQQGY-UHFFFAOYSA-N 0 3 392.503 3.974 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccccc3-c3ncc[nH]3)CC2)cc1 ZINC001164336050 1026489310 /nfs/dbraw/zinc/48/93/10/1026489310.db2.gz PHWFQBMTTXYXHS-UHFFFAOYSA-N 0 3 391.519 3.710 20 10 GHCDHN CC(C)(C)OC(=O)N1CCn2c(CN3CCc4cccc(O)c4C3)ccc2C1 ZINC001139927619 1026737268 /nfs/dbraw/zinc/73/72/68/1026737268.db2.gz LFRJCIZMAMZVMV-UHFFFAOYSA-N 0 3 383.492 3.503 20 10 GHCDHN Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2cc(F)ccc2[O-])CC3)cs1 ZINC001140055330 1026835132 /nfs/dbraw/zinc/83/51/32/1026835132.db2.gz DGAYGRGQTPZXBL-SFHVURJKSA-N 0 3 392.496 3.637 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(Br)c3)C1)[C@@H](O)CO2 ZINC000840123304 1027246008 /nfs/dbraw/zinc/24/60/08/1027246008.db2.gz HOHHHLLGDVHWPU-UGSOOPFHSA-N 0 3 390.277 3.570 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(Br)c3)C1)[C@@H](O)CO2 ZINC000840123304 1027246025 /nfs/dbraw/zinc/24/60/25/1027246025.db2.gz HOHHHLLGDVHWPU-UGSOOPFHSA-N 0 3 390.277 3.570 20 10 GHCDHN COc1ccc(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c([O-])c1 ZINC001203621573 1027484522 /nfs/dbraw/zinc/48/45/22/1027484522.db2.gz XQTVKGJBEVQFLD-FQEVSTJZSA-N 0 3 382.460 3.559 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c([O-])c1 ZINC001203623663 1027486027 /nfs/dbraw/zinc/48/60/27/1027486027.db2.gz VYUCFENCUWSZCA-UHFFFAOYSA-N 0 3 380.488 3.529 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001203622856 1027486656 /nfs/dbraw/zinc/48/66/56/1027486656.db2.gz DCAMPTDLPZXIAG-HSZRJFAPSA-N 0 3 398.478 3.555 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001203622856 1027486664 /nfs/dbraw/zinc/48/66/64/1027486664.db2.gz DCAMPTDLPZXIAG-HSZRJFAPSA-N 0 3 398.478 3.555 20 10 GHCDHN C[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001203635795 1027494497 /nfs/dbraw/zinc/49/44/97/1027494497.db2.gz GSSAABTUHWQBDL-GOSISDBHSA-N 0 3 375.310 3.861 20 10 GHCDHN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001203635795 1027494501 /nfs/dbraw/zinc/49/45/01/1027494501.db2.gz GSSAABTUHWQBDL-GOSISDBHSA-N 0 3 375.310 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001203645542 1027501137 /nfs/dbraw/zinc/50/11/37/1027501137.db2.gz MDNPELQFFADTPZ-LPHOPBHVSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001203645542 1027501151 /nfs/dbraw/zinc/50/11/51/1027501151.db2.gz MDNPELQFFADTPZ-LPHOPBHVSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001203650231 1027506846 /nfs/dbraw/zinc/50/68/46/1027506846.db2.gz OUUOJVCYLAVERQ-QFBILLFUSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001203650231 1027506854 /nfs/dbraw/zinc/50/68/54/1027506854.db2.gz OUUOJVCYLAVERQ-QFBILLFUSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001203650232 1027507560 /nfs/dbraw/zinc/50/75/60/1027507560.db2.gz OUUOJVCYLAVERQ-VQIMIIECSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001203650232 1027507565 /nfs/dbraw/zinc/50/75/65/1027507565.db2.gz OUUOJVCYLAVERQ-VQIMIIECSA-N 0 3 387.321 3.861 20 10 GHCDHN O=C1[C@H](NCc2ccc(N3CCCC3)cc2)CCN1CCCc1ccccc1 ZINC001461282429 1069479688 /nfs/dbraw/zinc/47/96/88/1069479688.db2.gz DCQJLABGGADZPC-HSZRJFAPSA-N 0 3 377.532 3.610 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1[O-] ZINC000840972015 1028008471 /nfs/dbraw/zinc/00/84/71/1028008471.db2.gz FBPDQTPSPSVINR-HXUWFJFHSA-N 0 3 375.896 3.974 20 10 GHCDHN CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000841045702 1028067370 /nfs/dbraw/zinc/06/73/70/1028067370.db2.gz OKHBIUUBTNEGFJ-HSZRJFAPSA-N 0 3 391.515 3.827 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3ccnc4[nH]ccc43)CC2)cc1 ZINC001142887774 1029640672 /nfs/dbraw/zinc/64/06/72/1029640672.db2.gz LCFCYLZZVXRVIC-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN CN(C)c1cc(F)c(CNCCC2(O)CCN(c3ccccc3)CC2)cc1F ZINC001461681202 1069675257 /nfs/dbraw/zinc/67/52/57/1069675257.db2.gz FEYUWIKTFRAYOF-UHFFFAOYSA-N 0 3 389.490 3.542 20 10 GHCDHN C[C@H]1[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1Cc1ccccc1 ZINC001229587232 1033575351 /nfs/dbraw/zinc/57/53/51/1033575351.db2.gz AESLGLMLKSLKPK-HTAPYJJXSA-N 0 3 393.531 3.733 20 10 GHCDHN CN[C@H](C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C)[C@@H](C)OC(C)(C)C ZINC001157435866 1033587407 /nfs/dbraw/zinc/58/74/07/1033587407.db2.gz XTUMMSOKEGSZEC-DKSSEZFCSA-N 0 3 376.541 3.540 20 10 GHCDHN CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001207128939 1034112611 /nfs/dbraw/zinc/11/26/11/1034112611.db2.gz IJPFMUSTTDZHDL-QFIPXVFZSA-N 0 3 388.467 3.888 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cncc(C)c4)C3)C2)cc1 ZINC001207155794 1034133446 /nfs/dbraw/zinc/13/34/46/1034133446.db2.gz CKBYUEFLINHUOZ-QHCPKHFHSA-N 0 3 381.520 3.518 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@@H](Oc3ccncc3C)C2)c1O ZINC001231555061 1034707247 /nfs/dbraw/zinc/70/72/47/1034707247.db2.gz HGDDSBQSUPISEU-CYBMUJFWSA-N 0 3 393.281 3.520 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C)NC(=O)[C@@H](N)CC(C)C)n2)cc1 ZINC001248295629 1035734643 /nfs/dbraw/zinc/73/46/43/1035734643.db2.gz JAGBYCXQKOPJFH-LPHOPBHVSA-N 0 3 395.507 3.695 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@@](C)(F)CC2)c1O ZINC001248390646 1035801589 /nfs/dbraw/zinc/80/15/89/1035801589.db2.gz AFRPSAMDXIOUDD-OAHLLOKOSA-N 0 3 393.240 3.720 20 10 GHCDHN COc1cc(I)cc(CN(C)Cc2cccs2)c1O ZINC001248401277 1035814033 /nfs/dbraw/zinc/81/40/33/1035814033.db2.gz VRYYNLVNWVBZHV-UHFFFAOYSA-N 0 3 389.258 3.699 20 10 GHCDHN CC[C@@H]1CCCN(Cc2cc(I)cc(OC)c2O)C1 ZINC001248405741 1035821839 /nfs/dbraw/zinc/82/18/39/1035821839.db2.gz YCLMYZDHDSXDIS-LLVKDONJSA-N 0 3 375.250 3.627 20 10 GHCDHN CC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263586 1037984720 /nfs/dbraw/zinc/98/47/20/1037984720.db2.gz SGYFIWNCDPPJHL-ZDUSSCGKSA-N 0 3 384.904 3.830 20 10 GHCDHN CC[N@H+](Cc1cc(Cl)c([O-])cc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263586 1037984724 /nfs/dbraw/zinc/98/47/24/1037984724.db2.gz SGYFIWNCDPPJHL-ZDUSSCGKSA-N 0 3 384.904 3.830 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccc(C)c(O)c4)C3)C2)cc1 ZINC001233231892 1038993426 /nfs/dbraw/zinc/99/34/26/1038993426.db2.gz UYVBRBDFDMMJQJ-DEOSSOPVSA-N 0 3 396.531 3.828 20 10 GHCDHN O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233745655 1039584860 /nfs/dbraw/zinc/58/48/60/1039584860.db2.gz NLYFCAUAZJYYQR-OAHLLOKOSA-N 0 3 398.425 3.562 20 10 GHCDHN [O-]c1c(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cccc1OC(F)(F)F ZINC001233754807 1039592015 /nfs/dbraw/zinc/59/20/15/1039592015.db2.gz LRLMWIOVAYSCFP-UHFFFAOYSA-N 0 3 385.357 3.914 20 10 GHCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767605 1039600099 /nfs/dbraw/zinc/60/00/99/1039600099.db2.gz FSHWJEZIJJGRNV-CYBMUJFWSA-N 0 3 375.387 3.987 20 10 GHCDHN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767605 1039600107 /nfs/dbraw/zinc/60/01/07/1039600107.db2.gz FSHWJEZIJJGRNV-CYBMUJFWSA-N 0 3 375.387 3.987 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1 ZINC001234544074 1040115425 /nfs/dbraw/zinc/11/54/25/1040115425.db2.gz DFBVEGUZQHALFS-VQTJNVASSA-N 0 3 394.496 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1 ZINC001234544074 1040115429 /nfs/dbraw/zinc/11/54/29/1040115429.db2.gz DFBVEGUZQHALFS-VQTJNVASSA-N 0 3 394.496 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c2c1 ZINC001234545433 1040117422 /nfs/dbraw/zinc/11/74/22/1040117422.db2.gz QYCAFFSROLKLFP-QHCPKHFHSA-N 0 3 382.504 3.777 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c2c1 ZINC001234545433 1040117431 /nfs/dbraw/zinc/11/74/31/1040117431.db2.gz QYCAFFSROLKLFP-QHCPKHFHSA-N 0 3 382.504 3.777 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](Oc4ncncc4C)C3)c2c1 ZINC001234569637 1040136769 /nfs/dbraw/zinc/13/67/69/1040136769.db2.gz PXGBESXBLWENGP-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](Oc4ncncc4C)C3)c2c1 ZINC001234569637 1040136780 /nfs/dbraw/zinc/13/67/80/1040136780.db2.gz PXGBESXBLWENGP-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN CCCCOC[C@H](C)OC[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234661903 1040197186 /nfs/dbraw/zinc/19/71/86/1040197186.db2.gz XAFKNZVQELEUAG-VQTJNVASSA-N 0 3 378.557 3.818 20 10 GHCDHN CCOC[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cn(C)nc21 ZINC001234987635 1040483867 /nfs/dbraw/zinc/48/38/67/1040483867.db2.gz HYNOJDNUFFQLAU-FQEVSTJZSA-N 0 3 377.488 3.929 20 10 GHCDHN CCOC[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cn(C)nc21 ZINC001234987635 1040483882 /nfs/dbraw/zinc/48/38/82/1040483882.db2.gz HYNOJDNUFFQLAU-FQEVSTJZSA-N 0 3 377.488 3.929 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235070946 1040562124 /nfs/dbraw/zinc/56/21/24/1040562124.db2.gz FCOJFXNYKUEDOI-AWEZNQCLSA-N 0 3 393.247 3.804 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccccc2)N(C)C)cc1 ZINC001256231742 1041668037 /nfs/dbraw/zinc/66/80/37/1041668037.db2.gz CXYLUEFXBUZIPF-FCHUYYIVSA-N 0 3 380.536 3.902 20 10 GHCDHN COc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])cc1Br ZINC001236754155 1041873842 /nfs/dbraw/zinc/87/38/42/1041873842.db2.gz RWGPEKBWPZBHSE-OAHLLOKOSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1cc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])cc1Br ZINC001236754155 1041873846 /nfs/dbraw/zinc/87/38/46/1041873846.db2.gz RWGPEKBWPZBHSE-OAHLLOKOSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001236806867 1041908190 /nfs/dbraw/zinc/90/81/90/1041908190.db2.gz BSIKOFDAXJKTAQ-UHFFFAOYSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c([O-])c1 ZINC001236809411 1041909802 /nfs/dbraw/zinc/90/98/02/1041909802.db2.gz RHTDCQCKYFENGH-UHFFFAOYSA-N 0 3 393.462 3.906 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c([O-])c1 ZINC001236809411 1041909804 /nfs/dbraw/zinc/90/98/04/1041909804.db2.gz RHTDCQCKYFENGH-UHFFFAOYSA-N 0 3 393.462 3.906 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)c([O-])c1 ZINC001236809099 1041909878 /nfs/dbraw/zinc/90/98/78/1041909878.db2.gz DGGJOEQUEKXOGQ-IBGZPJMESA-N 0 3 389.536 3.755 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)Nc3cccc(C)c3)CC2)c([O-])c1 ZINC001236816430 1041914488 /nfs/dbraw/zinc/91/44/88/1041914488.db2.gz UXGNRDVJBFYVKA-UHFFFAOYSA-N 0 3 383.492 3.804 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001236827948 1041919145 /nfs/dbraw/zinc/91/91/45/1041919145.db2.gz BIHYZKSQHZNDOH-UPVQGACJSA-N 0 3 396.531 3.927 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001236827948 1041919149 /nfs/dbraw/zinc/91/91/49/1041919149.db2.gz BIHYZKSQHZNDOH-UPVQGACJSA-N 0 3 396.531 3.927 20 10 GHCDHN O=C(C[C@H]1[C@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001236829252 1041920023 /nfs/dbraw/zinc/92/00/23/1041920023.db2.gz HHDREZORDGIWHE-WKCHPHFGSA-N 0 3 376.456 3.523 20 10 GHCDHN O=C(C[C@H]1[C@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001236829252 1041920025 /nfs/dbraw/zinc/92/00/25/1041920025.db2.gz HHDREZORDGIWHE-WKCHPHFGSA-N 0 3 376.456 3.523 20 10 GHCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)CC1CCC1 ZINC001236846271 1041926541 /nfs/dbraw/zinc/92/65/41/1041926541.db2.gz RNKRWNBQYVCTPX-UHFFFAOYSA-N 0 3 376.497 3.754 20 10 GHCDHN C[N@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)CC1CCC1 ZINC001236846271 1041926543 /nfs/dbraw/zinc/92/65/43/1041926543.db2.gz RNKRWNBQYVCTPX-UHFFFAOYSA-N 0 3 376.497 3.754 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c([O-])c1 ZINC001237040285 1042000366 /nfs/dbraw/zinc/00/03/66/1042000366.db2.gz GMUAFRKMBOWACZ-OAQYLSRUSA-N 0 3 398.503 3.526 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001237042719 1042003294 /nfs/dbraw/zinc/00/32/94/1042003294.db2.gz ZOFDARYKLGZDQR-HSZRJFAPSA-N 0 3 380.488 3.728 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001237042719 1042003302 /nfs/dbraw/zinc/00/33/02/1042003302.db2.gz ZOFDARYKLGZDQR-HSZRJFAPSA-N 0 3 380.488 3.728 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049379 1042009048 /nfs/dbraw/zinc/00/90/48/1042009048.db2.gz VWYPKGYXTCMTDH-REWPJTCUSA-N 0 3 396.535 3.566 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049379 1042009056 /nfs/dbraw/zinc/00/90/56/1042009056.db2.gz VWYPKGYXTCMTDH-REWPJTCUSA-N 0 3 396.535 3.566 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001237050146 1042009592 /nfs/dbraw/zinc/00/95/92/1042009592.db2.gz QHUDVRXDNLQLAU-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001237050146 1042009600 /nfs/dbraw/zinc/00/96/00/1042009600.db2.gz QHUDVRXDNLQLAU-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c([O-])c1 ZINC001237052608 1042011060 /nfs/dbraw/zinc/01/10/60/1042011060.db2.gz WTENYIOFICGCCU-UZUQRXQVSA-N 0 3 379.504 3.786 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c([O-])c1 ZINC001237052608 1042011069 /nfs/dbraw/zinc/01/10/69/1042011069.db2.gz WTENYIOFICGCCU-UZUQRXQVSA-N 0 3 379.504 3.786 20 10 GHCDHN O=C([C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1)N1CCCCC1 ZINC001237112043 1042044284 /nfs/dbraw/zinc/04/42/84/1042044284.db2.gz ZCVRIOVOISEFCW-CQSZACIVSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C([C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1)N1CCCCC1 ZINC001237112043 1042044287 /nfs/dbraw/zinc/04/42/87/1042044287.db2.gz ZCVRIOVOISEFCW-CQSZACIVSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C([C@@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1)N1CCCCC1 ZINC001237112043 1042044290 /nfs/dbraw/zinc/04/42/90/1042044290.db2.gz ZCVRIOVOISEFCW-CQSZACIVSA-N 0 3 386.414 3.515 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@]12CCC(=O)N2C ZINC001237112812 1042045555 /nfs/dbraw/zinc/04/55/55/1042045555.db2.gz NAEDIJFHSFGMQQ-WMZOPIPTSA-N 0 3 386.414 3.656 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@]12CCC(=O)N2C ZINC001237112812 1042045559 /nfs/dbraw/zinc/04/55/59/1042045559.db2.gz NAEDIJFHSFGMQQ-WMZOPIPTSA-N 0 3 386.414 3.656 20 10 GHCDHN CC[C@@H]1N(Cc2c(O)cccc2OC(F)(F)F)CCC[C@]12CCC(=O)N2C ZINC001237112812 1042045562 /nfs/dbraw/zinc/04/55/62/1042045562.db2.gz NAEDIJFHSFGMQQ-WMZOPIPTSA-N 0 3 386.414 3.656 20 10 GHCDHN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC3)cn1 ZINC001237134833 1042056806 /nfs/dbraw/zinc/05/68/06/1042056806.db2.gz BUOWZWOTBUJHLT-HNNXBMFYSA-N 0 3 395.425 3.683 20 10 GHCDHN Oc1ccc(C(F)(F)F)cc1CN1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001237137986 1042059333 /nfs/dbraw/zinc/05/93/33/1042059333.db2.gz WYEFCJCYGLNZLI-ZHALLVOQSA-N 0 3 385.426 3.960 20 10 GHCDHN COCCC[N@H+](Cc1c(C)cccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237487337 1042230758 /nfs/dbraw/zinc/23/07/58/1042230758.db2.gz ICKUFMYXGTXJKK-SFHVURJKSA-N 0 3 392.540 3.939 20 10 GHCDHN COCCC[N@@H+](Cc1c(C)cccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237487337 1042230761 /nfs/dbraw/zinc/23/07/61/1042230761.db2.gz ICKUFMYXGTXJKK-SFHVURJKSA-N 0 3 392.540 3.939 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001237488758 1042231570 /nfs/dbraw/zinc/23/15/70/1042231570.db2.gz PBGGQUACFPERTF-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001237488758 1042231574 /nfs/dbraw/zinc/23/15/74/1042231574.db2.gz PBGGQUACFPERTF-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN CCOC(=O)[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCS1 ZINC001237649921 1042303625 /nfs/dbraw/zinc/30/36/25/1042303625.db2.gz OMQATVICLIIFAQ-IBGZPJMESA-N 0 3 375.465 3.679 20 10 GHCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCS1 ZINC001237649921 1042303630 /nfs/dbraw/zinc/30/36/30/1042303630.db2.gz OMQATVICLIIFAQ-IBGZPJMESA-N 0 3 375.465 3.679 20 10 GHCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCS1 ZINC001237649921 1042303636 /nfs/dbraw/zinc/30/36/36/1042303636.db2.gz OMQATVICLIIFAQ-IBGZPJMESA-N 0 3 375.465 3.679 20 10 GHCDHN Cc1cc(O)c(CN2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc1Br ZINC001237677998 1042320010 /nfs/dbraw/zinc/32/00/10/1042320010.db2.gz GQRZBBGDMIGPDA-APWZRJJASA-N 0 3 396.325 3.623 20 10 GHCDHN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cc(F)cc(C)c3[O-])C[C@H]12 ZINC001238061183 1042478726 /nfs/dbraw/zinc/47/87/26/1042478726.db2.gz NOECCTUYEMVTHS-JTHBVZDNSA-N 0 3 382.479 3.604 20 10 GHCDHN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C[C@H]12 ZINC001238061183 1042478732 /nfs/dbraw/zinc/47/87/32/1042478732.db2.gz NOECCTUYEMVTHS-JTHBVZDNSA-N 0 3 382.479 3.604 20 10 GHCDHN O=S(=O)([N-][C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238062993 1042479862 /nfs/dbraw/zinc/47/98/62/1042479862.db2.gz FOMDSRWXGHVYKJ-LSJZCYCUSA-N 0 3 398.410 3.675 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c(Cl)c3ccccc3n2C)N(C)C)cc1 ZINC001304768003 1047763747 /nfs/dbraw/zinc/76/37/47/1047763747.db2.gz JNBLEBCLURCLCR-LJQANCHMSA-N 0 3 398.938 3.930 20 10 GHCDHN Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001279572289 1047842012 /nfs/dbraw/zinc/84/20/12/1047842012.db2.gz HGEZAYYIXYXMEA-UHFFFAOYSA-N 0 3 393.940 3.614 20 10 GHCDHN C/C=C\COc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001289601787 1049557126 /nfs/dbraw/zinc/55/71/26/1049557126.db2.gz DOAIVFCLKROTPF-KSEXMQBYSA-N 0 3 395.547 3.669 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@H]2CCc3ccccc32)N(C)C)cc1 ZINC001289602279 1049557622 /nfs/dbraw/zinc/55/76/22/1049557622.db2.gz NFGZCBGPFSNHSH-XXBNENTESA-N 0 3 379.548 3.982 20 10 GHCDHN CC1([C@@H]2CCCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)OCCO1 ZINC000753596134 1049753336 /nfs/dbraw/zinc/75/33/36/1049753336.db2.gz RTXIVFHGALWWBS-GOSISDBHSA-N 0 3 389.496 3.560 20 10 GHCDHN CN(C)c1cc(F)c(CNC[C@](C)(O)c2ccccc2Br)cc1F ZINC001308385462 1049963837 /nfs/dbraw/zinc/96/38/37/1049963837.db2.gz NBSHDCKLQPRSAA-SFHVURJKSA-N 0 3 399.279 3.791 20 10 GHCDHN COc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1Cn1cccn1 ZINC001308782783 1050091365 /nfs/dbraw/zinc/09/13/65/1050091365.db2.gz RFKNVSUFJCVSLC-QHCPKHFHSA-N 0 3 391.515 3.934 20 10 GHCDHN CC[C@@H](CNCc1c2cc(F)ccc2n(C)c1C(=O)OC)C(=O)OC(C)(C)C ZINC001308947935 1050208921 /nfs/dbraw/zinc/20/89/21/1050208921.db2.gz SAQZAXRYCNHDCB-ZDUSSCGKSA-N 0 3 392.471 3.562 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC001329744327 1050899614 /nfs/dbraw/zinc/89/96/14/1050899614.db2.gz XOWPNZHFTBXYTR-CQSZACIVSA-N 0 3 396.432 3.842 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccnc(-c4ccccc4)c3)cc2F)CC1 ZINC001331677498 1051348711 /nfs/dbraw/zinc/34/87/11/1051348711.db2.gz YCAVHDIIUYVHGJ-UHFFFAOYSA-N 0 3 390.506 3.929 20 10 GHCDHN CC(C)c1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001311683325 1052328041 /nfs/dbraw/zinc/32/80/41/1052328041.db2.gz LBBFAPZEHCNFTI-JOCHJYFZSA-N 0 3 382.552 3.978 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1[O-] ZINC000848517569 1057144782 /nfs/dbraw/zinc/14/47/82/1057144782.db2.gz FUCIQJTZUZDUCC-LBPRGKRZSA-N 0 3 394.313 3.589 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@H](CO)c2cccc(F)c2)c1O ZINC000848534094 1057155176 /nfs/dbraw/zinc/15/51/76/1057155176.db2.gz MQJBHJPMFLDXRZ-MEBBXXQBSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1[O-] ZINC000848547196 1057167615 /nfs/dbraw/zinc/16/76/15/1057167615.db2.gz LTHLCGRNLQUUGS-IUODEOHRSA-N 0 3 396.329 3.987 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])[C@@H]1SC ZINC000848555566 1057176385 /nfs/dbraw/zinc/17/63/85/1057176385.db2.gz UAUIHLXPPAVMSR-XMJZZDKSSA-N 0 3 390.343 3.723 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(OC(F)F)cc2F)N(C)C)cc1 ZINC001439959340 1058365392 /nfs/dbraw/zinc/36/53/92/1058365392.db2.gz CURPPQNWJLGOLM-SFHVURJKSA-N 0 3 395.425 3.526 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001439958974 1058365919 /nfs/dbraw/zinc/36/59/19/1058365919.db2.gz AMYTYQWHKVIMSX-UPVQGACJSA-N 0 3 379.548 3.766 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(Cl)cc(Cl)c3N)c2)CC1 ZINC001467304855 1067213417 /nfs/dbraw/zinc/21/34/17/1067213417.db2.gz CDPNXYXUVBBRIY-UHFFFAOYSA-N 0 3 393.318 3.970 20 10 GHCDHN CCS[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469239736 1068051105 /nfs/dbraw/zinc/05/11/05/1068051105.db2.gz SHTHHWKHJVFFOW-HSALFYBXSA-N 0 3 392.613 3.719 20 10 GHCDHN COc1ccc([C@@H](NC(C)C)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC001472486625 1073506187 /nfs/dbraw/zinc/50/61/87/1073506187.db2.gz SOFSTOOBKBMEAK-HSZRJFAPSA-N 0 3 395.547 3.992 20 10 GHCDHN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC001473970680 1074221531 /nfs/dbraw/zinc/22/15/31/1074221531.db2.gz XYDUOYCTQOMRGA-GJZGRUSLSA-N 0 3 396.373 3.832 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@@H](O)C(F)(F)F ZINC001474231976 1074301799 /nfs/dbraw/zinc/30/17/99/1074301799.db2.gz MROWBMJOZKZNGF-XHDPSFHLSA-N 0 3 395.263 3.841 20 10 GHCDHN CC(C)(C)c1cc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c(C(C)(C)C)c1 ZINC001474291064 1074326813 /nfs/dbraw/zinc/32/68/13/1074326813.db2.gz YPHOGPHWNPYILU-QGZVFWFLSA-N 0 3 398.551 3.851 20 10 GHCDHN O=C(CNCc1ccc(OCc2ccccc2)cc1O)Nc1cccc(F)c1 ZINC001474504993 1074436395 /nfs/dbraw/zinc/43/63/95/1074436395.db2.gz MBBAFFJMXHHMPQ-UHFFFAOYSA-N 0 3 380.419 3.839 20 10 GHCDHN O=C(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])Nc1cccc(F)c1 ZINC001474504993 1074436400 /nfs/dbraw/zinc/43/64/00/1074436400.db2.gz MBBAFFJMXHHMPQ-UHFFFAOYSA-N 0 3 380.419 3.839 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC001474731154 1074538168 /nfs/dbraw/zinc/53/81/68/1074538168.db2.gz DRIYKIHRQPWFEB-CYBMUJFWSA-N 0 3 384.904 3.791 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC001474731154 1074538175 /nfs/dbraw/zinc/53/81/75/1074538175.db2.gz DRIYKIHRQPWFEB-CYBMUJFWSA-N 0 3 384.904 3.791 20 10 GHCDHN C[NH+]1CCN(c2ccc(NCc3ccc(F)c(F)c3[O-])c3cnccc32)CC1 ZINC001474754203 1074546136 /nfs/dbraw/zinc/54/61/36/1074546136.db2.gz QIEZOICZDRAVHQ-UHFFFAOYSA-N 0 3 384.430 3.583 20 10 GHCDHN C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC000820425912 607018356 /nfs/dbraw/zinc/01/83/56/607018356.db2.gz CNXKPSHYAQSADP-OAHLLOKOSA-N 0 3 382.537 3.517 20 10 GHCDHN C[C@@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC000820425912 607018358 /nfs/dbraw/zinc/01/83/58/607018358.db2.gz CNXKPSHYAQSADP-OAHLLOKOSA-N 0 3 382.537 3.517 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376507418 837719929 /nfs/dbraw/zinc/71/99/29/837719929.db2.gz VMMLVMUAFTWRIV-HXUWFJFHSA-N 0 3 397.515 3.989 20 10 GHCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413537160 834583236 /nfs/dbraw/zinc/58/32/36/834583236.db2.gz WNKBQOWSJMUKOM-UHFFFAOYSA-N 0 3 379.504 3.778 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC000728595069 835043440 /nfs/dbraw/zinc/04/34/40/835043440.db2.gz PKRIAPYTOSITPO-INIZCTEOSA-N 0 3 391.309 3.922 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000162001346 835528788 /nfs/dbraw/zinc/52/87/88/835528788.db2.gz ANHPYDLRRKUPFG-UTKZUKDTSA-N 0 3 397.494 3.509 20 10 GHCDHN CCN(C)c1ccc([C@H](C)NCc2ccccc2OCCN2CCOCC2)cc1 ZINC000162014545 835560968 /nfs/dbraw/zinc/56/09/68/835560968.db2.gz JWESIVBEWHQZFW-FQEVSTJZSA-N 0 3 397.563 3.705 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000274897688 835787332 /nfs/dbraw/zinc/78/73/32/835787332.db2.gz KPRMGWWIRKOYSX-JENIJYKNSA-N 0 3 397.357 3.573 20 10 GHCDHN Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cn1 ZINC000275584272 837365833 /nfs/dbraw/zinc/36/58/33/837365833.db2.gz PGGJZPPGIWIGCW-JTHBVZDNSA-N 0 3 393.487 3.715 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cscc2C(F)(F)F)N(C)C)cc1 ZINC000891245744 839303585 /nfs/dbraw/zinc/30/35/85/839303585.db2.gz IPEGXEUNKJDXJN-MRXNPFEDSA-N 0 3 385.455 3.866 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000155894895 840373145 /nfs/dbraw/zinc/37/31/45/840373145.db2.gz MMNCDHXOGGWLEM-RDTXWAMCSA-N 0 3 397.357 3.696 20 10 GHCDHN COCCN1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000730786631 861280466 /nfs/dbraw/zinc/28/04/66/861280466.db2.gz GSEMDDYEMUZINX-HXUWFJFHSA-N 0 3 383.536 3.668 20 10 GHCDHN CCOc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000168855432 842734612 /nfs/dbraw/zinc/73/46/12/842734612.db2.gz RJLNJSQVICSIDF-MRXNPFEDSA-N 0 3 388.483 3.920 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)N[C@H](C)c2cc(OC)ccc2O)N(C)C)cc1 ZINC000729045031 844697757 /nfs/dbraw/zinc/69/77/57/844697757.db2.gz RDCZAUXUSWEXGS-FOIQADDNSA-N 0 3 385.508 3.626 20 10 GHCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC001167512367 845937863 /nfs/dbraw/zinc/93/78/63/845937863.db2.gz LVYXQGAVOBXXJU-QGZVFWFLSA-N 0 3 395.341 3.910 20 10 GHCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC001167512367 845937868 /nfs/dbraw/zinc/93/78/68/845937868.db2.gz LVYXQGAVOBXXJU-QGZVFWFLSA-N 0 3 395.341 3.910 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000732205627 862146457 /nfs/dbraw/zinc/14/64/57/862146457.db2.gz UMEHGHHFLHJARI-HXUWFJFHSA-N 0 3 380.488 3.777 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000732205627 862146464 /nfs/dbraw/zinc/14/64/64/862146464.db2.gz UMEHGHHFLHJARI-HXUWFJFHSA-N 0 3 380.488 3.777 20 10 GHCDHN COC(=O)C1(c2ccc(C[N@@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)cc2)CC1 ZINC001167984953 852694608 /nfs/dbraw/zinc/69/46/08/852694608.db2.gz ZRNOWCSRRQAGML-NRFANRHFSA-N 0 3 395.499 3.778 20 10 GHCDHN COC(=O)C1(c2ccc(C[N@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)cc2)CC1 ZINC001167984953 852694610 /nfs/dbraw/zinc/69/46/10/852694610.db2.gz ZRNOWCSRRQAGML-NRFANRHFSA-N 0 3 395.499 3.778 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OC)cc3F)cc2F)CC1 ZINC000765850851 855660446 /nfs/dbraw/zinc/66/04/46/855660446.db2.gz BWLCJPAVYZAPLN-MRXNPFEDSA-N 0 3 389.490 3.966 20 10 GHCDHN C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1c([O-])ccc2ccccc21 ZINC000057824698 855746106 /nfs/dbraw/zinc/74/61/06/855746106.db2.gz MEYUDNYSBZROTI-UHFFFAOYSA-N 0 3 399.512 3.850 20 10 GHCDHN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1c([O-])ccc2ccccc21 ZINC000057824698 855746113 /nfs/dbraw/zinc/74/61/13/855746113.db2.gz MEYUDNYSBZROTI-UHFFFAOYSA-N 0 3 399.512 3.850 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000765255586 859873346 /nfs/dbraw/zinc/87/33/46/859873346.db2.gz RATBWJXJGMFPTI-ZFWWWQNUSA-N 0 3 391.437 3.656 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000765255530 859873404 /nfs/dbraw/zinc/87/34/04/859873404.db2.gz RATBWJXJGMFPTI-DZGCQCFKSA-N 0 3 391.437 3.656 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c([O-])c1 ZINC000690671656 860203045 /nfs/dbraw/zinc/20/30/45/860203045.db2.gz OOKDQAVAAWBBEY-HZPDHXFCSA-N 0 3 376.497 3.520 20 10 GHCDHN Cc1oc(C(C)(C)C)cc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896054604 860305747 /nfs/dbraw/zinc/30/57/47/860305747.db2.gz WZDLJJLHZGLZKO-UHFFFAOYSA-N 0 3 383.536 3.877 20 10 GHCDHN CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nnc2n1CCCCC2 ZINC000765645291 860376400 /nfs/dbraw/zinc/37/64/00/860376400.db2.gz RXFALECJBFVZQX-FQEVSTJZSA-N 0 3 383.540 3.723 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCN(C(C)=O)C4(CCCCC4)C3)c2c1 ZINC000765696764 860422213 /nfs/dbraw/zinc/42/22/13/860422213.db2.gz CBQRYSIJACURJX-UHFFFAOYSA-N 0 3 382.504 3.921 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCN(C(C)=O)C4(CCCCC4)C3)c2c1 ZINC000765696764 860422216 /nfs/dbraw/zinc/42/22/16/860422216.db2.gz CBQRYSIJACURJX-UHFFFAOYSA-N 0 3 382.504 3.921 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C[C@@H]1CCCO1 ZINC000792765304 881653754 /nfs/dbraw/zinc/65/37/54/881653754.db2.gz GNMMQVZWHQAEOC-IBGZPJMESA-N 0 3 398.894 3.808 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C[C@@H]1CCCO1 ZINC000792765304 881653759 /nfs/dbraw/zinc/65/37/59/881653759.db2.gz GNMMQVZWHQAEOC-IBGZPJMESA-N 0 3 398.894 3.808 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000734281006 864117605 /nfs/dbraw/zinc/11/76/05/864117605.db2.gz VKXQMBHUGXZYCT-UWJYYQICSA-N 0 3 397.519 3.988 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184887882 865025395 /nfs/dbraw/zinc/02/53/95/865025395.db2.gz VPHVKBCUSPDMOM-CABCVRRESA-N 0 3 394.512 3.974 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184887934 865025669 /nfs/dbraw/zinc/02/56/69/865025669.db2.gz VPHVKBCUSPDMOM-LSDHHAIUSA-N 0 3 394.512 3.974 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000741090231 866236011 /nfs/dbraw/zinc/23/60/11/866236011.db2.gz YLALMFSFUNMDCO-HXUWFJFHSA-N 0 3 394.563 3.867 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1c1cccc(C)c1C)cc2=O ZINC000741794105 866798851 /nfs/dbraw/zinc/79/88/51/866798851.db2.gz ORPGGWLLVCEYSW-IBGZPJMESA-N 0 3 394.475 3.566 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@H](C)C3)ccc21 ZINC000553782229 868191642 /nfs/dbraw/zinc/19/16/42/868191642.db2.gz AZDBJSNQOSJEKH-HKARXFIJSA-N 0 3 397.563 3.707 20 10 GHCDHN Cc1ccc(Br)cc1NC(=O)CNCc1ccc(N(C)C)cc1 ZINC000749264019 869486139 /nfs/dbraw/zinc/48/61/39/869486139.db2.gz PTKMMWYMPDRZAH-UHFFFAOYSA-N 0 3 376.298 3.552 20 10 GHCDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000793611548 882330171 /nfs/dbraw/zinc/33/01/71/882330171.db2.gz RMDAYKZOBVQIHP-DYVFJYSZSA-N 0 3 377.868 3.564 20 10 GHCDHN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775657686 872425024 /nfs/dbraw/zinc/42/50/24/872425024.db2.gz GOMNJDREHNIGPT-HSZRJFAPSA-N 0 3 389.547 3.662 20 10 GHCDHN Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1C ZINC000768013917 873026962 /nfs/dbraw/zinc/02/69/62/873026962.db2.gz ZPODDRDXUAVRDQ-UHFFFAOYSA-N 0 3 399.560 3.636 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000775715136 873094911 /nfs/dbraw/zinc/09/49/11/873094911.db2.gz CLKTXAQGTKIOEA-WZONZLPQSA-N 0 3 383.511 3.540 20 10 GHCDHN COCCCOC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183088733 873210295 /nfs/dbraw/zinc/21/02/95/873210295.db2.gz STAGYTXJZJWART-UHFFFAOYSA-N 0 3 385.504 3.989 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768465261 873329672 /nfs/dbraw/zinc/32/96/72/873329672.db2.gz YTMWGWRIJVLFQC-FZKQIMNGSA-N 0 3 396.270 3.778 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768465261 873329689 /nfs/dbraw/zinc/32/96/89/873329689.db2.gz YTMWGWRIJVLFQC-FZKQIMNGSA-N 0 3 396.270 3.778 20 10 GHCDHN COc1ccc([C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C2CC2)cn1 ZINC000527840240 873658873 /nfs/dbraw/zinc/65/88/73/873658873.db2.gz CZABNLRKSRERRV-KRWDZBQOSA-N 0 3 393.281 3.808 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c([O-])c1 ZINC000768933067 873701479 /nfs/dbraw/zinc/70/14/79/873701479.db2.gz WPHFSNREBCMLCU-OAHLLOKOSA-N 0 3 399.409 3.681 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c([O-])c1 ZINC000768933067 873701486 /nfs/dbraw/zinc/70/14/86/873701486.db2.gz WPHFSNREBCMLCU-OAHLLOKOSA-N 0 3 399.409 3.681 20 10 GHCDHN Cc1nccn1CCCOC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769663162 874221287 /nfs/dbraw/zinc/22/12/87/874221287.db2.gz JVWJTQQVKDUILJ-UHFFFAOYSA-N 0 3 394.519 3.546 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000775835607 874324364 /nfs/dbraw/zinc/32/43/64/874324364.db2.gz GQGDVIXOAKKMPL-QWHCGFSZSA-N 0 3 390.871 3.992 20 10 GHCDHN C[C@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775836933 874333510 /nfs/dbraw/zinc/33/35/10/874333510.db2.gz PHGHUPNCZZGLLI-KKSFZXQISA-N 0 3 394.544 3.766 20 10 GHCDHN C[C@@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(N(C)C)cc1 ZINC000775834323 874340695 /nfs/dbraw/zinc/34/06/95/874340695.db2.gz RJRWKERUTOMIPF-MRXNPFEDSA-N 0 3 395.528 3.765 20 10 GHCDHN CC(C)OCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775834164 874344399 /nfs/dbraw/zinc/34/43/99/874344399.db2.gz KTNMYCAMIPVQOO-SFHVURJKSA-N 0 3 383.536 3.645 20 10 GHCDHN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833778 874344425 /nfs/dbraw/zinc/34/44/25/874344425.db2.gz LVTYOJXKNIYOBH-LSDHHAIUSA-N 0 3 375.463 3.901 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1OC1CC1 ZINC000858100560 882846298 /nfs/dbraw/zinc/84/62/98/882846298.db2.gz JXTNJNSMUPHFJC-UHFFFAOYSA-N 0 3 386.467 3.502 20 10 GHCDHN Cc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000775922694 874715851 /nfs/dbraw/zinc/71/58/51/874715851.db2.gz QQYMUZCHYGSZKZ-QGZVFWFLSA-N 0 3 376.504 3.739 20 10 GHCDHN CN1CCN(c2ccc(NCc3c(O)cccc3Br)cc2)CC1 ZINC000858151232 882890195 /nfs/dbraw/zinc/89/01/95/882890195.db2.gz YRLGNSOTFWGJQW-UHFFFAOYSA-N 0 3 376.298 3.519 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1F ZINC000775994498 875084746 /nfs/dbraw/zinc/08/47/46/875084746.db2.gz JLWAUQLLQRIYTP-UHFFFAOYSA-N 0 3 385.531 3.979 20 10 GHCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013674 875131272 /nfs/dbraw/zinc/13/12/72/875131272.db2.gz NAPLIMHSUMALIR-FPOVZHCZSA-N 0 3 399.487 3.514 20 10 GHCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013674 875131278 /nfs/dbraw/zinc/13/12/78/875131278.db2.gz NAPLIMHSUMALIR-FPOVZHCZSA-N 0 3 399.487 3.514 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3cc(C)c(Br)cn3)C2)cc1 ZINC000858186837 882920073 /nfs/dbraw/zinc/92/00/73/882920073.db2.gz NEMUHEXNXPYBEG-CQSZACIVSA-N 0 3 376.298 3.530 20 10 GHCDHN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000771767849 875473334 /nfs/dbraw/zinc/47/33/34/875473334.db2.gz WYIKXVXYGZJCCC-FQEVSTJZSA-N 0 3 398.526 3.698 20 10 GHCDHN CCC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccsc1 ZINC000785565643 876132739 /nfs/dbraw/zinc/13/27/39/876132739.db2.gz JYLKAIFNWZMWPY-LJQANCHMSA-N 0 3 378.563 3.614 20 10 GHCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000785574967 876137775 /nfs/dbraw/zinc/13/77/75/876137775.db2.gz QOCPIYWRFCNYFD-WNSKOXEYSA-N 0 3 377.440 4.000 20 10 GHCDHN OC1CCN(c2ccc(CNCc3csc(Br)c3)cc2)CC1 ZINC000850406077 876886572 /nfs/dbraw/zinc/88/65/72/876886572.db2.gz QMQRURFKTKVZQC-UHFFFAOYSA-N 0 3 381.339 3.762 20 10 GHCDHN O=[S@](CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])CC(F)(F)F ZINC000850496706 876972547 /nfs/dbraw/zinc/97/25/47/876972547.db2.gz QFKFPEDRCRJUHO-MRDQGFSESA-N 0 3 385.451 3.967 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Br)nc1 ZINC000850568176 877035935 /nfs/dbraw/zinc/03/59/35/877035935.db2.gz QXNLTJMUCRGYQY-CQSZACIVSA-N 0 3 390.325 3.656 20 10 GHCDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237894218 878281212 /nfs/dbraw/zinc/28/12/12/878281212.db2.gz FOQHUNNURDNHEF-OAHLLOKOSA-N 0 3 377.391 3.955 20 10 GHCDHN CCOc1ccc(O)c(CN(C)[C@H](CO)c2cccc(Br)c2)c1 ZINC000093815634 912449755 /nfs/dbraw/zinc/44/97/55/912449755.db2.gz PGGUOHNMPVIEPU-QGZVFWFLSA-N 0 3 380.282 3.719 20 10 GHCDHN OCCN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000093819480 912451839 /nfs/dbraw/zinc/45/18/39/912451839.db2.gz FYUVTBSEBHCZMK-UHFFFAOYSA-N 0 3 395.330 3.825 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000791010785 880133280 /nfs/dbraw/zinc/13/32/80/880133280.db2.gz KCZHCFIECDCGDV-HSZRJFAPSA-N 0 3 377.532 3.876 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1[O-] ZINC000186988125 883740584 /nfs/dbraw/zinc/74/05/84/883740584.db2.gz MPJUZBWMBKQBRB-CYBMUJFWSA-N 0 3 387.281 3.895 20 10 GHCDHN CN(Cc1cc(Br)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000116993636 884108617 /nfs/dbraw/zinc/10/86/17/884108617.db2.gz SGGAHLVVCMSCCF-UHFFFAOYSA-N 0 3 381.339 3.979 20 10 GHCDHN O[C@@H]1CC[C@@H]2CN(Cc3ccc(N4CCCCC4)c(Br)c3)C[C@H]12 ZINC001183812567 912805011 /nfs/dbraw/zinc/80/50/11/912805011.db2.gz QBUKEOZLGMHGHQ-JTDSTZFVSA-N 0 3 379.342 3.642 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000807402633 885430214 /nfs/dbraw/zinc/43/02/14/885430214.db2.gz JGQWWKIUCXZLAC-XMSQKQJNSA-N 0 3 382.552 3.976 20 10 GHCDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccco1 ZINC000807679649 885627874 /nfs/dbraw/zinc/62/78/74/885627874.db2.gz IIJMHGKPMIRQFU-BEFAXECRSA-N 0 3 380.492 3.941 20 10 GHCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])N2CCOCC2)o1 ZINC000808673564 886668372 /nfs/dbraw/zinc/66/83/72/886668372.db2.gz QVDWMEQYIMVZCM-CRAIPNDOSA-N 0 3 378.900 3.980 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1[O-] ZINC000808714685 886697106 /nfs/dbraw/zinc/69/71/06/886697106.db2.gz OOCGDMIDAWNZKJ-CQSZACIVSA-N 0 3 394.924 3.745 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1[O-] ZINC000808714639 886697209 /nfs/dbraw/zinc/69/72/09/886697209.db2.gz NZSQAUZCSRBPOJ-ZDUSSCGKSA-N 0 3 379.863 3.576 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1[O-] ZINC000808716304 886700119 /nfs/dbraw/zinc/70/01/19/886700119.db2.gz MARXPYVQMOKRAS-CYBMUJFWSA-N 0 3 388.961 3.597 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000794573264 887478322 /nfs/dbraw/zinc/47/83/22/887478322.db2.gz VBEUBTQWAZQRKR-HSZRJFAPSA-N 0 3 389.499 3.913 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1[O-] ZINC000809793647 887847710 /nfs/dbraw/zinc/84/77/10/887847710.db2.gz JJVRYFUWOYGRTR-UHFFFAOYSA-N 0 3 386.293 3.998 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1[O-] ZINC000794802488 888072077 /nfs/dbraw/zinc/07/20/77/888072077.db2.gz FVGXOUIHAHROLY-FQEVSTJZSA-N 0 3 388.533 3.726 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3CC(=O)CC4)c2)CC1 ZINC000810831027 888917645 /nfs/dbraw/zinc/91/76/45/888917645.db2.gz KOGJBDOJUYNEPL-UHFFFAOYSA-N 0 3 391.515 3.527 20 10 GHCDHN Cc1c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cccc1[N+](=O)[O-] ZINC000122564963 889925945 /nfs/dbraw/zinc/92/59/45/889925945.db2.gz GMTASZNXEQXFFY-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN COCCOCc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC000812773307 890950492 /nfs/dbraw/zinc/95/04/92/890950492.db2.gz SWARZAGXBZEGES-UHFFFAOYSA-N 0 3 394.309 3.916 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000154325816 891618699 /nfs/dbraw/zinc/61/86/99/891618699.db2.gz OHMCUZJZNFFSEP-NHCUHLMSSA-N 0 3 390.911 3.606 20 10 GHCDHN CN1CCC(N(Cc2ccco2)C(=O)NCCCSc2nccs2)CC1 ZINC000154573573 892795566 /nfs/dbraw/zinc/79/55/66/892795566.db2.gz QNTXUSVLWMYFBE-UHFFFAOYSA-N 0 3 394.566 3.524 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C2CC2)cc1 ZINC000918057769 893071270 /nfs/dbraw/zinc/07/12/70/893071270.db2.gz WUHOQBWSUVQQAJ-HSZRJFAPSA-N 0 3 394.563 3.600 20 10 GHCDHN CC(C)(C)c1cc(CN2CCC(NS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000126099670 893286673 /nfs/dbraw/zinc/28/66/73/893286673.db2.gz SCNUIDNDUZEXFH-UHFFFAOYSA-N 0 3 396.597 3.501 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2C(C)(C)C)N(C)C)cc1 ZINC001134882003 893505135 /nfs/dbraw/zinc/50/51/35/893505135.db2.gz JVPCJPWZBRUIGL-OAQYLSRUSA-N 0 3 397.563 3.848 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000815146743 893519616 /nfs/dbraw/zinc/51/96/16/893519616.db2.gz KKRQUHOTDAEVSY-QGZVFWFLSA-N 0 3 380.467 3.699 20 10 GHCDHN O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877485462 893640426 /nfs/dbraw/zinc/64/04/26/893640426.db2.gz VATLHEUCNILGGM-UHFFFAOYSA-N 0 3 396.506 3.882 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000815564293 894002002 /nfs/dbraw/zinc/00/20/02/894002002.db2.gz DXYYNSXHVWIEQQ-FGZHOGPDSA-N 0 3 391.515 3.922 20 10 GHCDHN OCC1([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)CCC1 ZINC000816631446 894958731 /nfs/dbraw/zinc/95/87/31/894958731.db2.gz RTHBHPFDSMLDJR-QFIPXVFZSA-N 0 3 384.495 3.656 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1[O-] ZINC000879648398 895201896 /nfs/dbraw/zinc/20/18/96/895201896.db2.gz MWGNVOFBOLVURI-MRXNPFEDSA-N 0 3 375.472 3.840 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000821250715 897800437 /nfs/dbraw/zinc/80/04/37/897800437.db2.gz DIYZGEPYRAGOQV-UHFFFAOYSA-N 0 3 396.535 3.621 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000821392411 897859775 /nfs/dbraw/zinc/85/97/75/897859775.db2.gz ZFODNMJDBDSUHU-ICSRJNTNSA-N 0 3 388.552 3.658 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000821392411 897859784 /nfs/dbraw/zinc/85/97/84/897859784.db2.gz ZFODNMJDBDSUHU-ICSRJNTNSA-N 0 3 388.552 3.658 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H]3CCCc4nc(C)sc43)cc2F)CC1 ZINC000155299902 898576305 /nfs/dbraw/zinc/57/63/05/898576305.db2.gz NZQADIGEXRSBAW-GOSISDBHSA-N 0 3 388.556 3.900 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc2ccccc2o1 ZINC000886746753 901250208 /nfs/dbraw/zinc/25/02/08/901250208.db2.gz BEBDIPWIGFJWHZ-INIZCTEOSA-N 0 3 377.488 3.985 20 10 GHCDHN COc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1O ZINC000091933911 901463319 /nfs/dbraw/zinc/46/33/19/901463319.db2.gz DPCJWJSVLBGGKW-UHFFFAOYSA-N 0 3 390.867 3.611 20 10 GHCDHN C[C@H](NCc1cccc(Cn2cccn2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129495892 902817599 /nfs/dbraw/zinc/81/75/99/902817599.db2.gz UGQLHTGGRZMTBH-SFHVURJKSA-N 0 3 394.494 3.758 20 10 GHCDHN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000779603839 907860167 /nfs/dbraw/zinc/86/01/67/907860167.db2.gz FCJTZISMIXWHPK-AWEZNQCLSA-N 0 3 384.314 3.874 20 10 GHCDHN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000779603839 907860183 /nfs/dbraw/zinc/86/01/83/907860183.db2.gz FCJTZISMIXWHPK-AWEZNQCLSA-N 0 3 384.314 3.874 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccccc3Br)cc2F)CC1 ZINC001177541936 908636136 /nfs/dbraw/zinc/63/61/36/908636136.db2.gz FSLKKVAXLFGYSP-UHFFFAOYSA-N 0 3 392.316 3.630 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3nc4c(s3)CCCC4)cc2F)CC1 ZINC001177698452 908718774 /nfs/dbraw/zinc/71/87/74/908718774.db2.gz UAPRLNNDGZIEOH-UHFFFAOYSA-N 0 3 388.556 3.593 20 10 GHCDHN CCN(CC)c1ccc(CNCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000067979624 908748280 /nfs/dbraw/zinc/74/82/80/908748280.db2.gz MSRFPVKLSKTNQV-HSZRJFAPSA-N 0 3 395.547 3.731 20 10 GHCDHN O=c1[nH]c2cccc(C[NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)c2o1 ZINC001177811401 908765919 /nfs/dbraw/zinc/76/59/19/908765919.db2.gz WTQNQXUCVCYZHZ-MRXNPFEDSA-N 0 3 387.867 3.647 20 10 GHCDHN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483217 911787726 /nfs/dbraw/zinc/78/77/26/911787726.db2.gz IVFKAAJMKRPSKQ-HOTGVXAUSA-N 0 3 383.492 3.525 20 10 GHCDHN CSc1ccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775259051 916688002 /nfs/dbraw/zinc/68/80/02/916688002.db2.gz NFEHTTLIMLGUTJ-INIZCTEOSA-N 0 3 385.533 3.534 20 10 GHCDHN Cc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000775259486 916699233 /nfs/dbraw/zinc/69/92/33/916699233.db2.gz UVEGBXLHTQJARK-VQTJNVASSA-N 0 3 395.547 3.668 20 10 GHCDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000775403224 917510803 /nfs/dbraw/zinc/51/08/03/917510803.db2.gz HNLOFZPOZHVRAM-LJQANCHMSA-N 0 3 394.563 3.774 20 10 GHCDHN C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000775410857 917553877 /nfs/dbraw/zinc/55/38/77/917553877.db2.gz NGZBXPWDIPECNR-PXNSSMCTSA-N 0 3 383.511 3.981 20 10 GHCDHN CCn1nc(C)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1C ZINC000113359286 919367127 /nfs/dbraw/zinc/36/71/27/919367127.db2.gz KFLMFTMNZBYZGG-GOSISDBHSA-N 0 3 376.932 3.633 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000381987869 919718279 /nfs/dbraw/zinc/71/82/79/919718279.db2.gz OBQQZVANYQBISF-IUODEOHRSA-N 0 3 384.904 3.932 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCc3ccccc3OC2)c1[O-] ZINC000800889847 920569182 /nfs/dbraw/zinc/56/91/82/920569182.db2.gz YSOJVAYVYCHBGD-HNNXBMFYSA-N 0 3 378.266 3.647 20 10 GHCDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000298707836 920832177 /nfs/dbraw/zinc/83/21/77/920832177.db2.gz VFHLDGXEWNGGIK-UHFFFAOYSA-N 0 3 396.535 3.686 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000748358690 923602119 /nfs/dbraw/zinc/60/21/19/923602119.db2.gz CIMCAXZBERJHLH-FQEVSTJZSA-N 0 3 383.536 3.585 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1[O-] ZINC000372409205 925401591 /nfs/dbraw/zinc/40/15/91/925401591.db2.gz QVOHFNKLHBFBGX-CYBMUJFWSA-N 0 3 387.281 3.895 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000372773815 925697081 /nfs/dbraw/zinc/69/70/81/925697081.db2.gz WCHMCDKFABGSOR-OAHLLOKOSA-N 0 3 394.313 3.588 20 10 GHCDHN CC(C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@]1(O)CCCOC1 ZINC000827594498 925820865 /nfs/dbraw/zinc/82/08/65/925820865.db2.gz GXWZYZIIJSYRLV-QHCPKHFHSA-N 0 3 385.504 3.629 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000389787112 926387920 /nfs/dbraw/zinc/38/79/20/926387920.db2.gz MNTJAPGFMXQNQF-SWLSCSKDSA-N 0 3 384.904 3.789 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000374805216 927541760 /nfs/dbraw/zinc/54/17/60/927541760.db2.gz HNLWDWWLIADUAD-GOSISDBHSA-N 0 3 376.460 3.747 20 10 GHCDHN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000374805216 927541775 /nfs/dbraw/zinc/54/17/75/927541775.db2.gz HNLWDWWLIADUAD-GOSISDBHSA-N 0 3 376.460 3.747 20 10 GHCDHN C[C@H](NCc1cnc(-c2ccncc2)s1)c1ccc(N2CCOCC2)cc1 ZINC000753365165 929318340 /nfs/dbraw/zinc/31/83/40/929318340.db2.gz CQICXNIGSXBSSO-INIZCTEOSA-N 0 3 380.517 3.893 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000753591463 929435306 /nfs/dbraw/zinc/43/53/06/929435306.db2.gz QKIDXZXAFCQKMU-SNRMKQJTSA-N 0 3 390.524 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000753591463 929435313 /nfs/dbraw/zinc/43/53/13/929435313.db2.gz QKIDXZXAFCQKMU-SNRMKQJTSA-N 0 3 390.524 3.916 20 10 GHCDHN CN(C)[C@H](CNC(=O)CSc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000759713222 930462678 /nfs/dbraw/zinc/46/26/78/930462678.db2.gz HMMHZSVZTKMMKB-OAHLLOKOSA-N 0 3 377.579 3.952 20 10 GHCDHN CCCN(CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12)Cc1ccccc1O ZINC000781899304 931017406 /nfs/dbraw/zinc/01/74/06/931017406.db2.gz SKLIHRZXQZAJEN-UHFFFAOYSA-N 0 3 380.444 3.755 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1[O-] ZINC000783505002 931566235 /nfs/dbraw/zinc/56/62/35/931566235.db2.gz PTVKEHYHNHECHL-IRXDYDNUSA-N 0 3 388.533 3.664 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000799336185 932955939 /nfs/dbraw/zinc/95/59/39/932955939.db2.gz JMSQPJBAHWMWSZ-CYBMUJFWSA-N 0 3 388.821 3.542 20 10 GHCDHN CC[C@@H](C)n1ncc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000931073133 934361267 /nfs/dbraw/zinc/36/12/67/934361267.db2.gz OHAAETRLQAUAFQ-FOIQADDNSA-N 0 3 386.544 3.653 20 10 GHCDHN C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3c([O-])cccc3F)cc2)C1 ZINC001220879571 1032169008 /nfs/dbraw/zinc/16/90/08/1032169008.db2.gz CODSNXHCCZIALT-MRXNPFEDSA-N 0 3 385.483 3.763 20 10 GHCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3c([O-])cccc3F)cc2)C1 ZINC001220879571 1032169018 /nfs/dbraw/zinc/16/90/18/1032169018.db2.gz CODSNXHCCZIALT-MRXNPFEDSA-N 0 3 385.483 3.763 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000246205806 1021046017 /nfs/dbraw/zinc/04/60/17/1021046017.db2.gz MDGBWFAFKIIIJU-LSDHHAIUSA-N 0 3 396.281 3.844 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCCC[C@@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC001140304652 1021354698 /nfs/dbraw/zinc/35/46/98/1021354698.db2.gz XIDQATNJJZAHEM-OAQYLSRUSA-N 0 3 387.568 3.525 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCc4c([nH]nc4C(F)(F)F)C3)cc2)CC1 ZINC001140309718 1021370350 /nfs/dbraw/zinc/37/03/50/1021370350.db2.gz RVTQZTDOFNIEJN-IBGZPJMESA-N 0 3 393.457 3.685 20 10 GHCDHN Cc1ccccc1C(=O)NC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026196 1021783813 /nfs/dbraw/zinc/78/38/13/1021783813.db2.gz RXTSJASKYMBEHR-VURMDHGXSA-N 0 3 377.532 3.969 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000835044216 1021804316 /nfs/dbraw/zinc/80/43/16/1021804316.db2.gz HMWOLZSGCNYION-XYXUZSOXSA-N 0 3 381.564 3.880 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000835044215 1021804726 /nfs/dbraw/zinc/80/47/26/1021804726.db2.gz HMWOLZSGCNYION-WMWRJIBUSA-N 0 3 381.564 3.880 20 10 GHCDHN CC(C)(CO)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000835058821 1021827732 /nfs/dbraw/zinc/82/77/32/1021827732.db2.gz UNXSQPKUGNPLNC-LJQANCHMSA-N 0 3 378.513 3.573 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067746 1021850288 /nfs/dbraw/zinc/85/02/88/1021850288.db2.gz BFTVRVDNTQSCQN-DOTOQJQBSA-N 0 3 378.513 3.774 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067746 1021850310 /nfs/dbraw/zinc/85/03/10/1021850310.db2.gz BFTVRVDNTQSCQN-DOTOQJQBSA-N 0 3 378.513 3.774 20 10 GHCDHN Cc1nc(COC[C@H]2Cn3nccc3CN(Cc3cc(C)ccc3O)C2)cs1 ZINC001140620419 1022091127 /nfs/dbraw/zinc/09/11/27/1022091127.db2.gz NOJIUKUYXKFLCD-QGZVFWFLSA-N 0 3 398.532 3.511 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC(COc2ccccc2)CC1 ZINC001140661964 1022198580 /nfs/dbraw/zinc/19/85/80/1022198580.db2.gz ZQXPYRKAATUEFE-UHFFFAOYSA-N 0 3 384.495 3.953 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CC(OCC3CC3)C2)CC1 ZINC001140662743 1022203040 /nfs/dbraw/zinc/20/30/40/1022203040.db2.gz FOHKRLVHXZXOBL-UHFFFAOYSA-N 0 3 388.527 3.834 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c(Cl)c1 ZINC001140922676 1022891867 /nfs/dbraw/zinc/89/18/67/1022891867.db2.gz YXBVLRPHWOWFRB-KRWDZBQOSA-N 0 3 388.943 3.678 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754835667 1022923138 /nfs/dbraw/zinc/92/31/38/1022923138.db2.gz SHINHMGOVAOXON-QUCCMNQESA-N 0 3 375.875 3.607 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(OC)c1 ZINC001141028636 1023277770 /nfs/dbraw/zinc/27/77/70/1023277770.db2.gz XYBCHGKKHWLNSO-UHFFFAOYSA-N 0 3 375.440 3.730 20 10 GHCDHN CCOC(=O)CCCN(Cc1ccccc1)Cc1c(O)cc(OC)cc1OC ZINC001141032981 1023301548 /nfs/dbraw/zinc/30/15/48/1023301548.db2.gz VXJAKYROXNPRDY-UHFFFAOYSA-N 0 3 387.476 3.755 20 10 GHCDHN CC(C)(C)OC(=O)NCCC1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078310 1023444051 /nfs/dbraw/zinc/44/40/51/1023444051.db2.gz QZJJWPKDQWYYNM-UHFFFAOYSA-N 0 3 385.552 3.732 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756651644 1023755540 /nfs/dbraw/zinc/75/55/40/1023755540.db2.gz XEQHGSJMAFLZMP-AYBZRNKSSA-N 0 3 382.479 3.903 20 10 GHCDHN Cc1c(CN2CC[C@H]3[C@H](C2)OCCN3C(=O)OC(C)(C)C)c2ccccc2n1C ZINC001138252503 1024470572 /nfs/dbraw/zinc/47/05/72/1024470572.db2.gz JCVSIMOTSGHEDZ-SFTDATJTSA-N 0 3 399.535 3.697 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@]3(CCCCN3C(C)=O)C2)c(OC)c1 ZINC001138388739 1024764957 /nfs/dbraw/zinc/76/49/57/1024764957.db2.gz CGJOTWLVOJGXPQ-HSZRJFAPSA-N 0 3 387.568 3.908 20 10 GHCDHN Cc1cc(C)c(C(=O)CCCC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000832273588 1025399936 /nfs/dbraw/zinc/39/99/36/1025399936.db2.gz OYMKNSWRMBDFIQ-NRFANRHFSA-N 0 3 395.547 3.847 20 10 GHCDHN CCN(CC)c1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146572 1025641958 /nfs/dbraw/zinc/64/19/58/1025641958.db2.gz MGNYPOLLTCOTSX-UHFFFAOYSA-N 0 3 389.490 3.937 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cccc4c3ccn4C)CC2)cc1 ZINC001139161779 1025984990 /nfs/dbraw/zinc/98/49/90/1025984990.db2.gz LIERFTUYXDUNRP-UHFFFAOYSA-N 0 3 379.504 3.526 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3ccc4c(ccn4C)c3)CC2)cc1 ZINC001139192593 1026029941 /nfs/dbraw/zinc/02/99/41/1026029941.db2.gz NBEQAPNAULHCTK-UHFFFAOYSA-N 0 3 379.504 3.526 20 10 GHCDHN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cc(CN(C)C)c(O)c(OC)c1 ZINC001139260646 1026109827 /nfs/dbraw/zinc/10/98/27/1026109827.db2.gz ODESWMLDIHDNCR-FQEVSTJZSA-N 0 3 384.520 3.946 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(Br)c3)C1)[C@H](O)CO2 ZINC000840123302 1027244933 /nfs/dbraw/zinc/24/49/33/1027244933.db2.gz HOHHHLLGDVHWPU-FZKQIMNGSA-N 0 3 390.277 3.570 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(Br)c3)C1)[C@H](O)CO2 ZINC000840123302 1027244947 /nfs/dbraw/zinc/24/49/47/1027244947.db2.gz HOHHHLLGDVHWPU-FZKQIMNGSA-N 0 3 390.277 3.570 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001203935772 1027729967 /nfs/dbraw/zinc/72/99/67/1027729967.db2.gz CRMMCZLYMZKYTP-INIZCTEOSA-N 0 3 380.414 3.605 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2n(n1)CCC2 ZINC000840729746 1027770279 /nfs/dbraw/zinc/77/02/79/1027770279.db2.gz TUCLQFURYRWERQ-CABCVRRESA-N 0 3 376.451 3.750 20 10 GHCDHN CC(C)(C)c1cccc(CN2CCCN(C(=O)Cc3ccccc3)CC2)c1O ZINC001143112131 1029849252 /nfs/dbraw/zinc/84/92/52/1029849252.db2.gz LWJKKTWFBOHPTJ-UHFFFAOYSA-N 0 3 380.532 3.967 20 10 GHCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843433380 1030004458 /nfs/dbraw/zinc/00/44/58/1030004458.db2.gz ZJSARTDGCBRZGO-IBGZPJMESA-N 0 3 378.394 3.560 20 10 GHCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843433380 1030004470 /nfs/dbraw/zinc/00/44/70/1030004470.db2.gz ZJSARTDGCBRZGO-IBGZPJMESA-N 0 3 378.394 3.560 20 10 GHCDHN Brc1ccc(N=Nc2ccc(O[C@@H]3CN4C[C@H]3NCC4)cc2)cc1 ZINC001218111007 1030777610 /nfs/dbraw/zinc/77/76/10/1030777610.db2.gz PQJYJYNMHKIQBS-QZTJIDSGSA-N 0 3 387.281 3.899 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)cc(C)c1O ZINC001276959539 1030948060 /nfs/dbraw/zinc/94/80/60/1030948060.db2.gz TZIVJKGYEURNLY-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(C)c1[O-] ZINC001276959539 1030948062 /nfs/dbraw/zinc/94/80/62/1030948062.db2.gz TZIVJKGYEURNLY-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)cc(C)c1[O-] ZINC001276959539 1030948065 /nfs/dbraw/zinc/94/80/65/1030948065.db2.gz TZIVJKGYEURNLY-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c1[O-] ZINC001276966590 1030976316 /nfs/dbraw/zinc/97/63/16/1030976316.db2.gz WJTWFFQQIXWEQC-LJQANCHMSA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c1[O-] ZINC001276966590 1030976317 /nfs/dbraw/zinc/97/63/17/1030976317.db2.gz WJTWFFQQIXWEQC-LJQANCHMSA-N 0 3 395.341 3.544 20 10 GHCDHN CCN1CC[C@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1=O ZINC001231467179 1034612217 /nfs/dbraw/zinc/61/22/17/1034612217.db2.gz IEYDNKXVVFBLEP-DEOSSOPVSA-N 0 3 394.515 3.806 20 10 GHCDHN CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1=O ZINC001231467179 1034612222 /nfs/dbraw/zinc/61/22/22/1034612222.db2.gz IEYDNKXVVFBLEP-DEOSSOPVSA-N 0 3 394.515 3.806 20 10 GHCDHN CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1=O ZINC001231467180 1034612527 /nfs/dbraw/zinc/61/25/27/1034612527.db2.gz IEYDNKXVVFBLEP-XMMPIXPASA-N 0 3 394.515 3.806 20 10 GHCDHN CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)C1=O ZINC001231467180 1034612531 /nfs/dbraw/zinc/61/25/31/1034612531.db2.gz IEYDNKXVVFBLEP-XMMPIXPASA-N 0 3 394.515 3.806 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001231588265 1034740990 /nfs/dbraw/zinc/74/09/90/1034740990.db2.gz UXSSCLSWNMKSLV-CVDCTZTESA-N 0 3 376.456 3.753 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001231588265 1034741000 /nfs/dbraw/zinc/74/10/00/1034741000.db2.gz UXSSCLSWNMKSLV-CVDCTZTESA-N 0 3 376.456 3.753 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c(O)c1 ZINC001231844848 1034938519 /nfs/dbraw/zinc/93/85/19/1034938519.db2.gz OJQSLYJTJYLQAI-DJPFJPOOSA-N 0 3 388.533 3.662 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001231848958 1034940765 /nfs/dbraw/zinc/94/07/65/1034940765.db2.gz LWHKODSOZKKZMG-WMZOPIPTSA-N 0 3 391.556 3.744 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231855021 1034944936 /nfs/dbraw/zinc/94/49/36/1034944936.db2.gz OORYKNBYTMCXBB-SFHVURJKSA-N 0 3 377.529 3.593 20 10 GHCDHN Cn1cc(CN2CCCC23CC[NH+](Cc2ccc4ccccc4c2[O-])CC3)cn1 ZINC001231881849 1034965877 /nfs/dbraw/zinc/96/58/77/1034965877.db2.gz ZZVCGNQHLGNHJI-UHFFFAOYSA-N 0 3 390.531 3.910 20 10 GHCDHN CCc1ncnc(Cl)c1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160616363 1035016726 /nfs/dbraw/zinc/01/67/26/1035016726.db2.gz IFUALVBKMYMNPL-QZTJIDSGSA-N 0 3 384.867 3.957 20 10 GHCDHN CSc1cc(C)nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160619368 1035018685 /nfs/dbraw/zinc/01/86/85/1035018685.db2.gz UXYCPEGXPGTGLF-RTBURBONSA-N 0 3 382.489 3.771 20 10 GHCDHN c1cncc(CCCN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001209181076 1035203534 /nfs/dbraw/zinc/20/35/34/1035203534.db2.gz MMEFCGRMLJHSPC-UHFFFAOYSA-N 0 3 388.515 3.810 20 10 GHCDHN COc1cc(I)cc(CN2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC001248391312 1035802381 /nfs/dbraw/zinc/80/23/81/1035802381.db2.gz QDWBZOLZWVUMCG-NWDGAFQWSA-N 0 3 387.261 3.627 20 10 GHCDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)c(Br)c2)[C@H]1OC ZINC001462062870 1069974150 /nfs/dbraw/zinc/97/41/50/1069974150.db2.gz UYACYYJDOPZMJK-QXAKKESOSA-N 0 3 397.357 3.721 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1[O-] ZINC001233105863 1038892238 /nfs/dbraw/zinc/89/22/38/1038892238.db2.gz BMDNRTWPJRSNSP-NHYWBVRUSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1[O-] ZINC001233105863 1038892250 /nfs/dbraw/zinc/89/22/50/1038892250.db2.gz BMDNRTWPJRSNSP-NHYWBVRUSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001233105863 1038892264 /nfs/dbraw/zinc/89/22/64/1038892264.db2.gz BMDNRTWPJRSNSP-NHYWBVRUSA-N 0 3 396.247 3.988 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233107389 1038896485 /nfs/dbraw/zinc/89/64/85/1038896485.db2.gz AZIKCFNZMIGDAQ-DNVCBOLYSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107389 1038896512 /nfs/dbraw/zinc/89/65/12/1038896512.db2.gz AZIKCFNZMIGDAQ-DNVCBOLYSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107389 1038896545 /nfs/dbraw/zinc/89/65/45/1038896545.db2.gz AZIKCFNZMIGDAQ-DNVCBOLYSA-N 0 3 398.341 3.871 20 10 GHCDHN COc1cc(O[C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)ccn1 ZINC001233110352 1038901180 /nfs/dbraw/zinc/90/11/80/1038901180.db2.gz BJGPTYHQRJMDNN-INIZCTEOSA-N 0 3 393.281 3.520 20 10 GHCDHN Cc1cccnc1O[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233111523 1038902091 /nfs/dbraw/zinc/90/20/91/1038902091.db2.gz RXQNPMHOPBDSOJ-MRXNPFEDSA-N 0 3 377.282 3.820 20 10 GHCDHN Cc1cnccc1O[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233111760 1038903410 /nfs/dbraw/zinc/90/34/10/1038903410.db2.gz WRIDSMDMHKIFIX-INIZCTEOSA-N 0 3 377.282 3.820 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001233194253 1038959897 /nfs/dbraw/zinc/95/98/97/1038959897.db2.gz OFGDIWBVZOLVKD-GOSISDBHSA-N 0 3 382.273 3.994 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001233194253 1038959900 /nfs/dbraw/zinc/95/99/00/1038959900.db2.gz OFGDIWBVZOLVKD-GOSISDBHSA-N 0 3 382.273 3.994 20 10 GHCDHN CN1C[C@@H]2CCC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)[C@@H]2C1 ZINC001233195053 1038961343 /nfs/dbraw/zinc/96/13/43/1038961343.db2.gz DIKDLTOAIXOVJO-KBXCAEBGSA-N 0 3 375.310 3.834 20 10 GHCDHN CN1C[C@@H]2CCC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)[C@@H]2C1 ZINC001233195053 1038961346 /nfs/dbraw/zinc/96/13/46/1038961346.db2.gz DIKDLTOAIXOVJO-KBXCAEBGSA-N 0 3 375.310 3.834 20 10 GHCDHN O=C1CN(Cc2c(O)ccc3cc(Br)ccc32)CC2(CCCC2)N1 ZINC001233198494 1038963072 /nfs/dbraw/zinc/96/30/72/1038963072.db2.gz HCOKDAUOIXILHW-UHFFFAOYSA-N 0 3 389.293 3.553 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1[O-] ZINC001233289494 1039071110 /nfs/dbraw/zinc/07/11/10/1039071110.db2.gz XOFCOUCTTYZODM-UHFFFAOYSA-N 0 3 396.878 3.507 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1[O-] ZINC001233289494 1039071128 /nfs/dbraw/zinc/07/11/28/1039071128.db2.gz XOFCOUCTTYZODM-UHFFFAOYSA-N 0 3 396.878 3.507 20 10 GHCDHN CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290545 1039074094 /nfs/dbraw/zinc/07/40/94/1039074094.db2.gz JDGZDKZGHIMHNZ-INIZCTEOSA-N 0 3 387.904 3.625 20 10 GHCDHN CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290545 1039074109 /nfs/dbraw/zinc/07/41/09/1039074109.db2.gz JDGZDKZGHIMHNZ-INIZCTEOSA-N 0 3 387.904 3.625 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)c1[O-] ZINC001233290706 1039075926 /nfs/dbraw/zinc/07/59/26/1039075926.db2.gz RIAFROSEAKTNLW-OAHLLOKOSA-N 0 3 381.900 4.000 20 10 GHCDHN O=C1CCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)N1CC1CC1 ZINC001233746114 1039586637 /nfs/dbraw/zinc/58/66/37/1039586637.db2.gz VDCWNWPLCRCKSZ-UHFFFAOYSA-N 0 3 398.425 3.658 20 10 GHCDHN COc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233775723 1039605975 /nfs/dbraw/zinc/60/59/75/1039605975.db2.gz BAYJMAMIBYHOGS-CQSZACIVSA-N 0 3 398.381 3.738 20 10 GHCDHN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233775723 1039605981 /nfs/dbraw/zinc/60/59/81/1039605981.db2.gz BAYJMAMIBYHOGS-CQSZACIVSA-N 0 3 398.381 3.738 20 10 GHCDHN Oc1c(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cccc1OC(F)(F)F ZINC001233776158 1039608087 /nfs/dbraw/zinc/60/80/87/1039608087.db2.gz LJHIDVDCMLMKOB-LSDHHAIUSA-N 0 3 376.394 3.689 20 10 GHCDHN CCN1CCN(c2ccc(O[C@@H](C(=O)OC)c3ccccc3Cl)cc2)CC1 ZINC001234661915 1040197910 /nfs/dbraw/zinc/19/79/10/1040197910.db2.gz XFWZHRJPLCRUBC-HXUWFJFHSA-N 0 3 388.895 3.775 20 10 GHCDHN [O-]c1c(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)cccc1-c1ccccc1 ZINC001234988361 1040483096 /nfs/dbraw/zinc/48/30/96/1040483096.db2.gz NRLAKNDJZXACAS-TZIWHRDSSA-N 0 3 386.499 3.808 20 10 GHCDHN [O-]c1c(C[N@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)cccc1-c1ccccc1 ZINC001234988361 1040483100 /nfs/dbraw/zinc/48/31/00/1040483100.db2.gz NRLAKNDJZXACAS-TZIWHRDSSA-N 0 3 386.499 3.808 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1)C1CCOCC1 ZINC001234996059 1040489781 /nfs/dbraw/zinc/48/97/81/1040489781.db2.gz UECFQXKIONNZEF-UHFFFAOYSA-N 0 3 394.515 3.566 20 10 GHCDHN O=C1C[C@@H]2CC(N3CCN(c4ccc(OCc5cccnc5)cc4)CC3)C[C@H]2C1 ZINC001254962496 1040693111 /nfs/dbraw/zinc/69/31/11/1040693111.db2.gz DWLBSUVHOLFIEM-PMACEKPBSA-N 0 3 391.515 3.540 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c([O-])c1 ZINC001235681482 1041148981 /nfs/dbraw/zinc/14/89/81/1041148981.db2.gz IKBKUWQUFBTVKU-BVSLBCMMSA-N 0 3 382.504 3.896 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c([O-])c1 ZINC001235681482 1041148998 /nfs/dbraw/zinc/14/89/98/1041148998.db2.gz IKBKUWQUFBTVKU-BVSLBCMMSA-N 0 3 382.504 3.896 20 10 GHCDHN CCc1ccc(CN2CCN[C@@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235802340 1041310528 /nfs/dbraw/zinc/31/05/28/1041310528.db2.gz ZKTZMWAMVYXAIJ-GOSISDBHSA-N 0 3 375.310 3.864 20 10 GHCDHN COc1ccc(CN(Cc2c([O-])cccc2Cl)C2CC[NH2+]CC2)cc1F ZINC001236516680 1041749767 /nfs/dbraw/zinc/74/97/67/1041749767.db2.gz QPFBCXXKRXNMAM-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1cc(CN(C)Cc2ccc3c(c2)OCO3)c(O)cc1Br ZINC001236756700 1041875069 /nfs/dbraw/zinc/87/50/69/1041875069.db2.gz NGJYHFGRNUIMPF-UHFFFAOYSA-N 0 3 380.238 3.524 20 10 GHCDHN COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c([O-])cc1Br ZINC001236756700 1041875074 /nfs/dbraw/zinc/87/50/74/1041875074.db2.gz NGJYHFGRNUIMPF-UHFFFAOYSA-N 0 3 380.238 3.524 20 10 GHCDHN COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([O-])cc1Br ZINC001236756700 1041875076 /nfs/dbraw/zinc/87/50/76/1041875076.db2.gz NGJYHFGRNUIMPF-UHFFFAOYSA-N 0 3 380.238 3.524 20 10 GHCDHN CCc1ccc(C[N@H+](CCCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786574 1041892748 /nfs/dbraw/zinc/89/27/48/1041892748.db2.gz CWYJEIDTEVGWPS-LJQANCHMSA-N 0 3 392.540 3.803 20 10 GHCDHN CCc1ccc(C[N@@H+](CCCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786574 1041892756 /nfs/dbraw/zinc/89/27/56/1041892756.db2.gz CWYJEIDTEVGWPS-LJQANCHMSA-N 0 3 392.540 3.803 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001236809324 1041909553 /nfs/dbraw/zinc/90/95/53/1041909553.db2.gz VREPEQBNVCXOGY-QAPCUYQASA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001236809324 1041909554 /nfs/dbraw/zinc/90/95/54/1041909554.db2.gz VREPEQBNVCXOGY-QAPCUYQASA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236809338 1041909672 /nfs/dbraw/zinc/90/96/72/1041909672.db2.gz VUANEHRPPYNYRU-NRFANRHFSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236809338 1041909678 /nfs/dbraw/zinc/90/96/78/1041909678.db2.gz VUANEHRPPYNYRU-NRFANRHFSA-N 0 3 376.497 3.685 20 10 GHCDHN CC[C@H]1[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001236828601 1041920073 /nfs/dbraw/zinc/92/00/73/1041920073.db2.gz BIHYZKSQHZNDOH-VWNXMTODSA-N 0 3 396.531 3.927 20 10 GHCDHN CC[C@H]1[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001236828601 1041920075 /nfs/dbraw/zinc/92/00/75/1041920075.db2.gz BIHYZKSQHZNDOH-VWNXMTODSA-N 0 3 396.531 3.927 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001236833016 1041922220 /nfs/dbraw/zinc/92/22/20/1041922220.db2.gz MMPRFYSVDGMPDY-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN COCCOc1cccc(N2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)c1 ZINC001236836419 1041922617 /nfs/dbraw/zinc/92/26/17/1041922617.db2.gz ITQUJKCUJUQYEN-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN COCCOc1ccccc1N1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236834677 1041922724 /nfs/dbraw/zinc/92/27/24/1041922724.db2.gz DRLSQTQLQUEDPY-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN CN(Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2)C1CC(F)(F)C1 ZINC001236842289 1041925453 /nfs/dbraw/zinc/92/54/53/1041925453.db2.gz DEVJVKIUXXVFMJ-UHFFFAOYSA-N 0 3 398.450 3.751 20 10 GHCDHN C[N@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C1CC(F)(F)C1 ZINC001236842289 1041925456 /nfs/dbraw/zinc/92/54/56/1041925456.db2.gz DEVJVKIUXXVFMJ-UHFFFAOYSA-N 0 3 398.450 3.751 20 10 GHCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C1CC(F)(F)C1 ZINC001236842289 1041925459 /nfs/dbraw/zinc/92/54/59/1041925459.db2.gz DEVJVKIUXXVFMJ-UHFFFAOYSA-N 0 3 398.450 3.751 20 10 GHCDHN C[C@H]1C[C@@H](CF)N(Cc2cc3c(cc2O)OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236845894 1041926247 /nfs/dbraw/zinc/92/62/47/1041926247.db2.gz KYQXUCFMNSFVOZ-YOEHRIQHSA-N 0 3 394.487 3.702 20 10 GHCDHN C[C@H]1C[C@@H](CF)[N@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236845894 1041926250 /nfs/dbraw/zinc/92/62/50/1041926250.db2.gz KYQXUCFMNSFVOZ-YOEHRIQHSA-N 0 3 394.487 3.702 20 10 GHCDHN C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236845894 1041926254 /nfs/dbraw/zinc/92/62/54/1041926254.db2.gz KYQXUCFMNSFVOZ-YOEHRIQHSA-N 0 3 394.487 3.702 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c([O-])c1 ZINC001237041186 1042001487 /nfs/dbraw/zinc/00/14/87/1042001487.db2.gz GWRAYYFRAPFGJE-UHFFFAOYSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043176 1042003125 /nfs/dbraw/zinc/00/31/25/1042003125.db2.gz MHDDVFMOTFKJBY-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043176 1042003133 /nfs/dbraw/zinc/00/31/33/1042003133.db2.gz MHDDVFMOTFKJBY-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3ccc(OCC)cc3[O-])C1)C2 ZINC001237043403 1042003223 /nfs/dbraw/zinc/00/32/23/1042003223.db2.gz NYIGXUWEGHLZEC-NTKDMRAZSA-N 0 3 395.499 3.886 20 10 GHCDHN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3ccc(OCC)cc3[O-])C1)C2 ZINC001237043403 1042003233 /nfs/dbraw/zinc/00/32/33/1042003233.db2.gz NYIGXUWEGHLZEC-NTKDMRAZSA-N 0 3 395.499 3.886 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044019 1042003916 /nfs/dbraw/zinc/00/39/16/1042003916.db2.gz VYGVGYCKQDMYQJ-JTHBVZDNSA-N 0 3 398.503 3.636 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044019 1042003926 /nfs/dbraw/zinc/00/39/26/1042003926.db2.gz VYGVGYCKQDMYQJ-JTHBVZDNSA-N 0 3 398.503 3.636 20 10 GHCDHN CCOc1ccc(CN2CCN(c3ccc(Cl)c(OC)c3)CC2)c(O)c1 ZINC001237047118 1042006852 /nfs/dbraw/zinc/00/68/52/1042006852.db2.gz RTFGEYBVAHOUDU-UHFFFAOYSA-N 0 3 376.884 3.775 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3C)CC2)c([O-])c1 ZINC001237049553 1042009153 /nfs/dbraw/zinc/00/91/53/1042009153.db2.gz WTVQCZYQFVYDAH-OAQYLSRUSA-N 0 3 393.531 3.891 20 10 GHCDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237050553 1042009690 /nfs/dbraw/zinc/00/96/90/1042009690.db2.gz CINZWRYFNAOISX-UHFFFAOYSA-N 0 3 392.418 3.632 20 10 GHCDHN CN(CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-])C(=O)OC(C)(C)C ZINC001237050553 1042009697 /nfs/dbraw/zinc/00/96/97/1042009697.db2.gz CINZWRYFNAOISX-UHFFFAOYSA-N 0 3 392.418 3.632 20 10 GHCDHN CN(CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-])C(=O)OC(C)(C)C ZINC001237050553 1042009703 /nfs/dbraw/zinc/00/97/03/1042009703.db2.gz CINZWRYFNAOISX-UHFFFAOYSA-N 0 3 392.418 3.632 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001237054011 1042012182 /nfs/dbraw/zinc/01/21/82/1042012182.db2.gz SNPFOMUDAIZJPH-UHFFFAOYSA-N 0 3 382.382 3.772 20 10 GHCDHN Oc1ccc(C(F)(F)F)cc1CN1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001237136821 1042058566 /nfs/dbraw/zinc/05/85/66/1042058566.db2.gz IYHPCTDEAHQMKB-UHFFFAOYSA-N 0 3 377.410 3.514 20 10 GHCDHN O=C1Nc2ncccc2C2(CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)O1 ZINC001237139415 1042060669 /nfs/dbraw/zinc/06/06/69/1042060669.db2.gz DTOORCVFPWVONG-UHFFFAOYSA-N 0 3 393.365 3.859 20 10 GHCDHN O=C1Nc2ncccc2C2(CC[NH+](Cc3cc(C(F)(F)F)ccc3[O-])CC2)O1 ZINC001237139415 1042060676 /nfs/dbraw/zinc/06/06/76/1042060676.db2.gz DTOORCVFPWVONG-UHFFFAOYSA-N 0 3 393.365 3.859 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001237217388 1042094273 /nfs/dbraw/zinc/09/42/73/1042094273.db2.gz XXBPZSUCFDKPJG-JOCHJYFZSA-N 0 3 376.541 3.790 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001237487322 1042230290 /nfs/dbraw/zinc/23/02/90/1042230290.db2.gz YAQDPPDVHXLLKX-IBGZPJMESA-N 0 3 382.504 3.793 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001237490171 1042232186 /nfs/dbraw/zinc/23/21/86/1042232186.db2.gz QNFHELWQDQJQHP-RBBKRZOGSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001237490171 1042232189 /nfs/dbraw/zinc/23/21/89/1042232189.db2.gz QNFHELWQDQJQHP-RBBKRZOGSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001237488810 1042232283 /nfs/dbraw/zinc/23/22/83/1042232283.db2.gz QYQFSJAYCRJILU-XMMPIXPASA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001237488810 1042232289 /nfs/dbraw/zinc/23/22/89/1042232289.db2.gz QYQFSJAYCRJILU-XMMPIXPASA-N 0 3 387.483 3.832 20 10 GHCDHN COc1cnc(O[C@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237648741 1042302894 /nfs/dbraw/zinc/30/28/94/1042302894.db2.gz GBMIDWPZRZZOMK-IBGZPJMESA-N 0 3 395.434 3.650 20 10 GHCDHN COc1cnc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237648741 1042302899 /nfs/dbraw/zinc/30/28/99/1042302899.db2.gz GBMIDWPZRZZOMK-IBGZPJMESA-N 0 3 395.434 3.650 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001237648941 1042303814 /nfs/dbraw/zinc/30/38/14/1042303814.db2.gz IMCWKKXENFHFDL-LJQANCHMSA-N 0 3 383.398 3.781 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001237648941 1042303821 /nfs/dbraw/zinc/30/38/21/1042303821.db2.gz IMCWKKXENFHFDL-LJQANCHMSA-N 0 3 383.398 3.781 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1)N1CCCC1 ZINC001237651002 1042304672 /nfs/dbraw/zinc/30/46/72/1042304672.db2.gz XYKYEPKNCDYEFI-UHFFFAOYSA-N 0 3 397.494 3.968 20 10 GHCDHN Cc1ccc(CN2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)c(O)c1 ZINC001462609081 1070411230 /nfs/dbraw/zinc/41/12/30/1070411230.db2.gz FNFAZNUWVICYDE-UHFFFAOYSA-N 0 3 390.524 3.739 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1Br ZINC001237680013 1042321980 /nfs/dbraw/zinc/32/19/80/1042321980.db2.gz YFAZRUDFGPDDHQ-OAHLLOKOSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1Br ZINC001237680013 1042321985 /nfs/dbraw/zinc/32/19/85/1042321985.db2.gz YFAZRUDFGPDDHQ-OAHLLOKOSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)c1[O-] ZINC001237680293 1042322167 /nfs/dbraw/zinc/32/21/67/1042322167.db2.gz QEVXVLHEIZGZLI-JOCHJYFZSA-N 0 3 399.922 3.906 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)c1[O-] ZINC001237680293 1042322174 /nfs/dbraw/zinc/32/21/74/1042322174.db2.gz QEVXVLHEIZGZLI-JOCHJYFZSA-N 0 3 399.922 3.906 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)c1[O-] ZINC001237681417 1042323214 /nfs/dbraw/zinc/32/32/14/1042323214.db2.gz YKOTXTYKBNWZCY-UHFFFAOYSA-N 0 3 399.922 3.764 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)c1[O-] ZINC001237685547 1042325581 /nfs/dbraw/zinc/32/55/81/1042325581.db2.gz NHQIUJOOKJEKKP-UHFFFAOYSA-N 0 3 388.943 3.718 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1[O-] ZINC001237687636 1042327475 /nfs/dbraw/zinc/32/74/75/1042327475.db2.gz PGOLYEFMCOUCCT-JXFKEZNVSA-N 0 3 392.858 3.701 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1[O-] ZINC001237687636 1042327479 /nfs/dbraw/zinc/32/74/79/1042327479.db2.gz PGOLYEFMCOUCCT-JXFKEZNVSA-N 0 3 392.858 3.701 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1[O-] ZINC001238060717 1042478925 /nfs/dbraw/zinc/47/89/25/1042478925.db2.gz IFWZSUJXJZSCJE-XMMPIXPASA-N 0 3 396.506 3.897 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1[O-] ZINC001238060717 1042478927 /nfs/dbraw/zinc/47/89/27/1042478927.db2.gz IFWZSUJXJZSCJE-XMMPIXPASA-N 0 3 396.506 3.897 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c1[O-] ZINC001238060957 1042478974 /nfs/dbraw/zinc/47/89/74/1042478974.db2.gz LWCQWCWOPLKGBM-UHFFFAOYSA-N 0 3 382.479 3.997 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001294413794 1044612154 /nfs/dbraw/zinc/61/21/54/1044612154.db2.gz DNABBTXQFDGGHJ-PMACEKPBSA-N 0 3 383.536 3.713 20 10 GHCDHN CCN(CC)c1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC001296725583 1045362696 /nfs/dbraw/zinc/36/26/96/1045362696.db2.gz QDRIUYOFBKOFAE-UHFFFAOYSA-N 0 3 380.536 3.927 20 10 GHCDHN CN(C)Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001303508838 1047408689 /nfs/dbraw/zinc/40/86/89/1047408689.db2.gz XKTVQNJHTBRYPI-YWEYNIOJSA-N 0 3 380.366 3.830 20 10 GHCDHN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463287069 1070964122 /nfs/dbraw/zinc/96/41/22/1070964122.db2.gz XORGOLAIMIRZNX-KRWDZBQOSA-N 0 3 394.441 3.508 20 10 GHCDHN O=[N+]([O-])c1ccc(OCCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000732202725 1048990977 /nfs/dbraw/zinc/99/09/77/1048990977.db2.gz FHWUVHGWKKGUAY-HXUWFJFHSA-N 0 3 386.448 3.751 20 10 GHCDHN O=[N+]([O-])c1ccc(OCCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000732202725 1048990980 /nfs/dbraw/zinc/99/09/80/1048990980.db2.gz FHWUVHGWKKGUAY-HXUWFJFHSA-N 0 3 386.448 3.751 20 10 GHCDHN Cc1ccc(NC(=O)NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1C ZINC001307424419 1049262117 /nfs/dbraw/zinc/26/21/17/1049262117.db2.gz QGNRCANMQGZLIJ-UHFFFAOYSA-N 0 3 396.535 3.928 20 10 GHCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CCCCC1 ZINC001307566083 1049407087 /nfs/dbraw/zinc/40/70/87/1049407087.db2.gz GRMHTWQVVJELDE-VQTJNVASSA-N 0 3 388.508 3.527 20 10 GHCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CCCCC1 ZINC001307566083 1049407101 /nfs/dbraw/zinc/40/71/01/1049407101.db2.gz GRMHTWQVVJELDE-VQTJNVASSA-N 0 3 388.508 3.527 20 10 GHCDHN CN(C)c1cc(F)c(CNCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001308257334 1049928931 /nfs/dbraw/zinc/92/89/31/1049928931.db2.gz QCZDVCSMZQTPDV-CQSZACIVSA-N 0 3 383.483 3.768 20 10 GHCDHN Cc1ccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c(OC(C)C)c1 ZINC001308306794 1049944376 /nfs/dbraw/zinc/94/43/76/1049944376.db2.gz PQWAVUYXGNJAJU-UHFFFAOYSA-N 0 3 385.527 3.963 20 10 GHCDHN CCCc1cnc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001310483106 1051388619 /nfs/dbraw/zinc/38/86/19/1051388619.db2.gz GNXAFESFVMKPNO-QGZVFWFLSA-N 0 3 375.542 3.586 20 10 GHCDHN COCCOc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC001334941701 1052015137 /nfs/dbraw/zinc/01/51/37/1052015137.db2.gz KPDHCNAMHDEPPG-UHFFFAOYSA-N 0 3 396.434 3.665 20 10 GHCDHN Cc1cc(C)c(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001312349901 1052707179 /nfs/dbraw/zinc/70/71/79/1052707179.db2.gz GPNVSRCCOZJMEB-QHCPKHFHSA-N 0 3 396.579 3.822 20 10 GHCDHN CCN(C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@@H]1CCN(C)C1 ZINC001312587436 1052800952 /nfs/dbraw/zinc/80/09/52/1052800952.db2.gz YYVTVGHFHNPHNU-SJLPKXTDSA-N 0 3 392.975 3.812 20 10 GHCDHN CC(C)Cc1ccc([C@H](CNC(=O)NCc2c(O)cccc2F)N(C)C)cc1 ZINC001312816875 1052880554 /nfs/dbraw/zinc/88/05/54/1052880554.db2.gz FLIVQMJWLAJTQN-FQEVSTJZSA-N 0 3 387.499 3.832 20 10 GHCDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(N3CCN(C)CC3)c(F)c1)CCC2 ZINC001323309150 1056951379 /nfs/dbraw/zinc/95/13/79/1056951379.db2.gz FYBLBUMOKFAQIL-HXUWFJFHSA-N 0 3 388.556 3.852 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000848517741 1057144808 /nfs/dbraw/zinc/14/48/08/1057144808.db2.gz FVEYBLBYRHAUGY-BMIGLBTASA-N 0 3 384.245 3.687 20 10 GHCDHN COC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000848520296 1057145527 /nfs/dbraw/zinc/14/55/27/1057145527.db2.gz HTZGJRWEYFBPLS-NRFANRHFSA-N 0 3 398.478 3.616 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1[O-] ZINC000848530362 1057152197 /nfs/dbraw/zinc/15/21/97/1057152197.db2.gz ZPHOQSVBAQGXEM-QWRGUYRKSA-N 0 3 396.329 3.795 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000848532272 1057153426 /nfs/dbraw/zinc/15/34/26/1057153426.db2.gz BTEXKOQVFCMNJU-SNVBAGLBSA-N 0 3 381.226 3.922 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000848545130 1057165849 /nfs/dbraw/zinc/16/58/49/1057165849.db2.gz SJUDAJZBIPCJGB-BBRMVZONSA-N 0 3 394.309 3.808 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000848545131 1057166203 /nfs/dbraw/zinc/16/62/03/1057166203.db2.gz SJUDAJZBIPCJGB-CJNGLKHVSA-N 0 3 394.309 3.808 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1[O-] ZINC000848547197 1057167735 /nfs/dbraw/zinc/16/77/35/1057167735.db2.gz LTHLCGRNLQUUGS-SWLSCSKDSA-N 0 3 396.329 3.987 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000848547074 1057167742 /nfs/dbraw/zinc/16/77/42/1057167742.db2.gz JIIBMBDJLXNFGN-BBRMVZONSA-N 0 3 394.309 3.726 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2SCCc3ccccc32)N(C)C)cc1 ZINC001439961793 1058369548 /nfs/dbraw/zinc/36/95/48/1058369548.db2.gz SPJXRMOXKZXHEV-LEWJYISDSA-N 0 3 383.561 3.502 20 10 GHCDHN CCS[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469239738 1068050850 /nfs/dbraw/zinc/05/08/50/1068050850.db2.gz SHTHHWKHJVFFOW-VAMGGRTRSA-N 0 3 392.613 3.719 20 10 GHCDHN CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471542354 1073123361 /nfs/dbraw/zinc/12/33/61/1073123361.db2.gz AFAZTQPIPXUUGY-NRFANRHFSA-N 0 3 386.515 3.726 20 10 GHCDHN Cc1cc(CCNC(=O)NC[C@@H]2CCN2C(C)(C)C)c(C)n1-c1ccccc1 ZINC001478961642 1079040902 /nfs/dbraw/zinc/04/09/02/1079040902.db2.gz MEIAAMDYRHQSAE-NRFANRHFSA-N 0 3 382.552 3.809 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)N(C)C)cc1 ZINC001479533550 1079224230 /nfs/dbraw/zinc/22/42/30/1079224230.db2.gz JANOXGJHROWACP-RTWAWAEBSA-N 0 3 395.551 3.543 20 10 GHCDHN CCN(Cc1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001479534260 1079224760 /nfs/dbraw/zinc/22/47/60/1079224760.db2.gz LBTNUSXCXCJDFU-QFIPXVFZSA-N 0 3 382.552 3.895 20 10 GHCDHN CC[C@@](C)(NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001479535702 1079224853 /nfs/dbraw/zinc/22/48/53/1079224853.db2.gz WZRLKWOANGICFJ-FYYLOGMGSA-N 0 3 382.552 3.980 20 10 GHCDHN O=C(CNCc1ccc2c(c1)CCN2Cc1ccccc1)NCCc1ccccc1 ZINC001473984706 1074226217 /nfs/dbraw/zinc/22/62/17/1074226217.db2.gz USYXFSKNKPRIDS-UHFFFAOYSA-N 0 3 399.538 3.698 20 10 GHCDHN CN1CCN(c2ccc(CNCc3csc(Br)c3)cc2F)CC1 ZINC001473991218 1074228282 /nfs/dbraw/zinc/22/82/82/1074228282.db2.gz DBPXBXYCYPAZEH-UHFFFAOYSA-N 0 3 398.345 3.691 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@@H](O)C(F)(F)F ZINC001474231974 1074302085 /nfs/dbraw/zinc/30/20/85/1074302085.db2.gz MROWBMJOZKZNGF-IAQYHMDHSA-N 0 3 395.263 3.841 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC001474321961 1074341210 /nfs/dbraw/zinc/34/12/10/1074341210.db2.gz AIOPYWYMJAKXJF-IBGZPJMESA-N 0 3 377.326 3.989 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001474450304 1074412084 /nfs/dbraw/zinc/41/20/84/1074412084.db2.gz LGQMDXONWUFNSF-SFHVURJKSA-N 0 3 391.437 3.975 20 10 GHCDHN CC(C)c1ccc(O)c(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001474612448 1074484147 /nfs/dbraw/zinc/48/41/47/1074484147.db2.gz INAZZIKUSYDNBC-LADGPHEKSA-N 0 3 380.532 3.991 20 10 GHCDHN CC(C)(C)OC(=O)C1CCN(c2ccc(CNCc3ccccc3O)o2)CC1 ZINC000892792296 839088238 /nfs/dbraw/zinc/08/82/38/839088238.db2.gz TZVFTGOTDFVEDQ-UHFFFAOYSA-N 0 3 386.492 3.833 20 10 GHCDHN COc1cc(O)c(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC ZINC000278841763 841329655 /nfs/dbraw/zinc/32/96/55/841329655.db2.gz ZRJRTVSBCQQPDQ-UHFFFAOYSA-N 0 3 386.326 3.626 20 10 GHCDHN COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000125386610 841509926 /nfs/dbraw/zinc/50/99/26/841509926.db2.gz ULUOVTLYEYOKID-BTYIYWSLSA-N 0 3 390.911 3.569 20 10 GHCDHN CC(C)(C)OC(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000236810031 842070936 /nfs/dbraw/zinc/07/09/36/842070936.db2.gz FYUACAQVYYIDAQ-UHFFFAOYSA-N 0 3 382.504 3.768 20 10 GHCDHN COCCOc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165177650 843070117 /nfs/dbraw/zinc/07/01/17/843070117.db2.gz GFHXFIUIGKGODT-KRWDZBQOSA-N 0 3 388.483 3.538 20 10 GHCDHN COc1cccc([C@H](C)N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000728908790 843288278 /nfs/dbraw/zinc/28/82/78/843288278.db2.gz ODYDZMMNMYCCKZ-KRWDZBQOSA-N 0 3 377.488 3.828 20 10 GHCDHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000503395268 847658945 /nfs/dbraw/zinc/65/89/45/847658945.db2.gz VAHOIOUKSGXYAG-FQEVSTJZSA-N 0 3 394.519 3.597 20 10 GHCDHN C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4ccccc4[O-])nc(N)c23)C1 ZINC000732202761 862144769 /nfs/dbraw/zinc/14/47/69/862144769.db2.gz BEFBNXSMWCICAR-CYBMUJFWSA-N 0 3 382.533 3.778 20 10 GHCDHN C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4ccccc4[O-])nc(N)c23)C1 ZINC000732202761 862144774 /nfs/dbraw/zinc/14/47/74/862144774.db2.gz BEFBNXSMWCICAR-CYBMUJFWSA-N 0 3 382.533 3.778 20 10 GHCDHN O=[N+]([O-])c1cc(CNCCOc2ncccc2Cl)ccc1N1CCCCC1 ZINC000760699594 854377265 /nfs/dbraw/zinc/37/72/65/854377265.db2.gz AFEIDKVXRUZMOR-UHFFFAOYSA-N 0 3 390.871 3.802 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000765817017 855072126 /nfs/dbraw/zinc/07/21/26/855072126.db2.gz ZWMXQNQCXZCCSC-HTAPYJJXSA-N 0 3 388.515 3.739 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c1[O-] ZINC000761216455 859357292 /nfs/dbraw/zinc/35/72/92/859357292.db2.gz SIJXKJUEHCBOPS-UHFFFAOYSA-N 0 3 377.655 3.925 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1[O-] ZINC000922330065 859616860 /nfs/dbraw/zinc/61/68/60/859616860.db2.gz RXOXWJNXTHAQDC-IRXDYDNUSA-N 0 3 390.524 3.992 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000765246857 859863889 /nfs/dbraw/zinc/86/38/89/859863889.db2.gz YEEPVVWGJPGSCE-UZLBHIALSA-N 0 3 399.535 3.854 20 10 GHCDHN COc1cc(C)ccc1[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765255460 859873302 /nfs/dbraw/zinc/87/33/02/859873302.db2.gz QRYCIYQKPURHJF-PKOBYXMFSA-N 0 3 381.520 3.556 20 10 GHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850649 860004915 /nfs/dbraw/zinc/00/49/15/860004915.db2.gz DOFFCKUAJSIQPV-FHLIZLRMSA-N 0 3 376.497 3.505 20 10 GHCDHN CCCN(CCC)c1ccc(CNCc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1 ZINC000922497540 860078537 /nfs/dbraw/zinc/07/85/37/860078537.db2.gz FZAGFQXARGABSO-UHFFFAOYSA-N 0 3 386.540 3.620 20 10 GHCDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCCSc1nccs1 ZINC000173561451 864875205 /nfs/dbraw/zinc/87/52/05/864875205.db2.gz CRDZVVIXQAXCGD-UHFFFAOYSA-N 0 3 375.519 3.863 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)ccc1[O-] ZINC000184891478 865027211 /nfs/dbraw/zinc/02/72/11/865027211.db2.gz BFWYDLXFBFCWCD-HNNXBMFYSA-N 0 3 392.496 3.557 20 10 GHCDHN [O-]c1ccc2oc3c(c2c1C[NH+]1CCC(CCN2CCOCC2)CC1)CCCC3 ZINC000738112073 865494815 /nfs/dbraw/zinc/49/48/15/865494815.db2.gz RCLIBCWRESQRIV-UHFFFAOYSA-N 0 3 398.547 3.952 20 10 GHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000185360569 866015842 /nfs/dbraw/zinc/01/58/42/866015842.db2.gz HKUREXHISGACRQ-LSDHHAIUSA-N 0 3 375.463 3.834 20 10 GHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185360590 866016428 /nfs/dbraw/zinc/01/64/28/866016428.db2.gz HKUREXHISGACRQ-HUUCEWRRSA-N 0 3 375.463 3.834 20 10 GHCDHN CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cc(F)ccc3[O-])cc2F)CC1 ZINC000185393846 866053429 /nfs/dbraw/zinc/05/34/29/866053429.db2.gz YIDSTTDBVJXTPQ-OAHLLOKOSA-N 0 3 375.463 3.663 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OC(F)F ZINC000121310367 866109704 /nfs/dbraw/zinc/10/97/04/866109704.db2.gz AZNFYFNWBYPFNY-UHFFFAOYSA-N 0 3 392.446 3.765 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)c([O-])c1 ZINC000793390905 882165296 /nfs/dbraw/zinc/16/52/96/882165296.db2.gz USBAYAFJNMZHEK-CQSZACIVSA-N 0 3 376.884 3.581 20 10 GHCDHN COc1ncc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000793529766 882279586 /nfs/dbraw/zinc/27/95/86/882279586.db2.gz UYPSFAZYKKVOPU-LSDHHAIUSA-N 0 3 375.900 3.992 20 10 GHCDHN COc1ccc(C)cc1CN1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000021996198 869345470 /nfs/dbraw/zinc/34/54/70/869345470.db2.gz JJGJIANCMFQJQW-UHFFFAOYSA-N 0 3 377.488 3.575 20 10 GHCDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000793611550 882329540 /nfs/dbraw/zinc/32/95/40/882329540.db2.gz RMDAYKZOBVQIHP-SUMWQHHRSA-N 0 3 377.868 3.564 20 10 GHCDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000793611549 882329633 /nfs/dbraw/zinc/32/96/33/882329633.db2.gz RMDAYKZOBVQIHP-GUYCJALGSA-N 0 3 377.868 3.564 20 10 GHCDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193175523 870908662 /nfs/dbraw/zinc/90/86/62/870908662.db2.gz IZQHEEWWFFRKMS-INIZCTEOSA-N 0 3 386.565 3.726 20 10 GHCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1C(F)(F)F ZINC000767193271 872318540 /nfs/dbraw/zinc/31/85/40/872318540.db2.gz VRWRAHUMZICVLW-QGZVFWFLSA-N 0 3 390.405 3.531 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC(N(C)CC(F)F)CC2)c1O ZINC000775725281 873199419 /nfs/dbraw/zinc/19/94/19/873199419.db2.gz VSVXZGJBMVNORC-UHFFFAOYSA-N 0 3 377.273 3.624 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)[C@H](O)CO2 ZINC000768439709 873304899 /nfs/dbraw/zinc/30/48/99/873304899.db2.gz MSPZGBFXZIAHRM-BFUOFWGJSA-N 0 3 377.843 3.818 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)[C@H](O)CO2 ZINC000768439709 873304914 /nfs/dbraw/zinc/30/49/14/873304914.db2.gz MSPZGBFXZIAHRM-BFUOFWGJSA-N 0 3 377.843 3.818 20 10 GHCDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C2)C1 ZINC001197176738 873640223 /nfs/dbraw/zinc/64/02/23/873640223.db2.gz YXQCXEJOSJPSMZ-SQYHMDOVSA-N 0 3 384.505 3.818 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3ccc(F)c(F)c3)CC1)[C@@H](O)CO2 ZINC000768908472 873673825 /nfs/dbraw/zinc/67/38/25/873673825.db2.gz RXAWVYPOFOEEBS-FQEVSTJZSA-N 0 3 375.415 3.551 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000528016686 873917204 /nfs/dbraw/zinc/91/72/04/873917204.db2.gz SYPAFWFPMRPDCI-CYBMUJFWSA-N 0 3 383.330 3.762 20 10 GHCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Br)cc(OC)c1[O-] ZINC000769499333 874107712 /nfs/dbraw/zinc/10/77/12/874107712.db2.gz SAUHBDPLKOOHFK-QGZVFWFLSA-N 0 3 394.309 3.936 20 10 GHCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(OC)c1[O-] ZINC000769499333 874107721 /nfs/dbraw/zinc/10/77/21/874107721.db2.gz SAUHBDPLKOOHFK-QGZVFWFLSA-N 0 3 394.309 3.936 20 10 GHCDHN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)n(-c2ccc(F)cc2)n1 ZINC000775837040 874333410 /nfs/dbraw/zinc/33/34/10/874333410.db2.gz QQGCYJCUJZJUEJ-INIZCTEOSA-N 0 3 395.482 3.675 20 10 GHCDHN COc1cccc([C@H](CNCc2cc(F)c(N(C)C)cc2F)N2CCCC2)c1 ZINC001199069895 874793226 /nfs/dbraw/zinc/79/32/26/874793226.db2.gz XJCPINVUZTUNJI-QFIPXVFZSA-N 0 3 389.490 3.966 20 10 GHCDHN COc1ccccc1NC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000119295039 875049749 /nfs/dbraw/zinc/04/97/49/875049749.db2.gz ZAECZOXKIUSTJU-UHFFFAOYSA-N 0 3 385.483 3.751 20 10 GHCDHN Cc1c(Br)cncc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850077001 876643106 /nfs/dbraw/zinc/64/31/06/876643106.db2.gz HHHBBTVAKFXESS-HNNXBMFYSA-N 0 3 390.325 3.840 20 10 GHCDHN CCCOc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000850405435 876885796 /nfs/dbraw/zinc/88/57/96/876885796.db2.gz NVPCGGUJMUBQHT-UHFFFAOYSA-N 0 3 384.520 3.735 20 10 GHCDHN CC(C)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000850406238 876888498 /nfs/dbraw/zinc/88/84/98/876888498.db2.gz YDYQOTUNRGHWHF-UHFFFAOYSA-N 0 3 383.492 3.969 20 10 GHCDHN COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000850482497 876957149 /nfs/dbraw/zinc/95/71/49/876957149.db2.gz PHYTXXDWNFKUIT-MAUKXSAKSA-N 0 3 393.911 3.633 20 10 GHCDHN O=[S@](CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])CC(F)(F)F ZINC000850496711 876972753 /nfs/dbraw/zinc/97/27/53/876972753.db2.gz QFKFPEDRCRJUHO-WGDIFIGCSA-N 0 3 385.451 3.967 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850500499 876975515 /nfs/dbraw/zinc/97/55/15/876975515.db2.gz HIIDMVRTQGSEEJ-BLLLJJGKSA-N 0 3 389.293 3.701 20 10 GHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)cc1)CCCO2 ZINC000850567027 877034336 /nfs/dbraw/zinc/03/43/36/877034336.db2.gz WMNPUCHZBBTBAA-QFIPXVFZSA-N 0 3 382.504 3.660 20 10 GHCDHN COC1CCN(c2ccc(CN[C@@H](c3cccnc3)C(C)(C)CO)cc2)CC1 ZINC000852092610 878072566 /nfs/dbraw/zinc/07/25/66/878072566.db2.gz SESYUNCLBHZFRN-QFIPXVFZSA-N 0 3 383.536 3.546 20 10 GHCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000858520357 883168993 /nfs/dbraw/zinc/16/89/93/883168993.db2.gz RKRJUWMQKSKSSK-IAQYHMDHSA-N 0 3 378.831 3.649 20 10 GHCDHN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC001183630894 912712730 /nfs/dbraw/zinc/71/27/30/912712730.db2.gz MNKYKSKOMMJTNJ-LJQANCHMSA-N 0 3 386.467 3.983 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000116446739 883500548 /nfs/dbraw/zinc/50/05/48/883500548.db2.gz GIKFKHLVBWVPFC-RDJZCZTQSA-N 0 3 386.467 3.629 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)ccc21 ZINC001130518069 884377270 /nfs/dbraw/zinc/37/72/70/884377270.db2.gz DVOSEGGSYQMVNI-UNMCSNQZSA-N 0 3 383.536 3.651 20 10 GHCDHN CCOc1cccc(CN[C@](C)(CO)c2cccc(Br)c2)c1O ZINC000898168506 884625388 /nfs/dbraw/zinc/62/53/88/884625388.db2.gz HVQADQVYDFYIIS-GOSISDBHSA-N 0 3 380.282 3.551 20 10 GHCDHN C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000154946451 885267962 /nfs/dbraw/zinc/26/79/62/885267962.db2.gz NZDNEPKAXLMXLL-HNNXBMFYSA-N 0 3 395.425 3.710 20 10 GHCDHN COc1cccc(CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)c1O ZINC000807602342 885565261 /nfs/dbraw/zinc/56/52/61/885565261.db2.gz YCKRMHVRFOKLPK-FQEVSTJZSA-N 0 3 399.535 3.701 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807621418 885575219 /nfs/dbraw/zinc/57/52/19/885575219.db2.gz YRUHJRZAVMTNTN-RXVVDRJESA-N 0 3 381.520 3.977 20 10 GHCDHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000807704251 885614367 /nfs/dbraw/zinc/61/43/67/885614367.db2.gz WXNSDQGRXMGWNI-FQEVSTJZSA-N 0 3 380.467 3.661 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000862279570 886274680 /nfs/dbraw/zinc/27/46/80/886274680.db2.gz QTMAUXIILIMRNK-KRWDZBQOSA-N 0 3 382.895 3.743 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1[O-] ZINC000762613994 886537432 /nfs/dbraw/zinc/53/74/32/886537432.db2.gz LWMQRWZFDSVZAQ-UXIGCNINSA-N 0 3 390.368 3.633 20 10 GHCDHN CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762648105 886615800 /nfs/dbraw/zinc/61/58/00/886615800.db2.gz GYRAIGCHOWSUOQ-PBHICJAKSA-N 0 3 385.346 3.696 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1[O-] ZINC000808680951 886638618 /nfs/dbraw/zinc/63/86/18/886638618.db2.gz RIHSCWMLINJWBO-HNNXBMFYSA-N 0 3 388.895 3.677 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1[O-] ZINC000808716305 886700659 /nfs/dbraw/zinc/70/06/59/886700659.db2.gz MARXPYVQMOKRAS-ZDUSSCGKSA-N 0 3 388.961 3.597 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1[O-] ZINC000808695419 886713584 /nfs/dbraw/zinc/71/35/84/886713584.db2.gz KTLSOSBKOKUHQI-IRXDYDNUSA-N 0 3 388.943 3.610 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000808729806 886748708 /nfs/dbraw/zinc/74/87/08/886748708.db2.gz PPGIEQXDWCMYOT-POHZPAGDSA-N 0 3 378.266 3.608 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])s1 ZINC000809721206 887745591 /nfs/dbraw/zinc/74/55/91/887745591.db2.gz NWZRYOAUUPDZGT-GHMZBOCLSA-N 0 3 382.917 3.521 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000809793536 887847629 /nfs/dbraw/zinc/84/76/29/887847629.db2.gz YZXSZFAJBGCPKY-REWPJTCUSA-N 0 3 377.440 3.555 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2cc(Br)cc(C)c2O)c(OC)n1 ZINC000810259112 888322297 /nfs/dbraw/zinc/32/22/97/888322297.db2.gz BOYZDJRHPSZKAX-NSHDSACASA-N 0 3 381.270 3.726 20 10 GHCDHN CN1CCN(C2CC[NH+](Cc3cc4oc5ccccc5c4cc3[O-])CC2)CC1 ZINC000872732852 891316094 /nfs/dbraw/zinc/31/60/94/891316094.db2.gz JRAQULWGCQWHEV-UHFFFAOYSA-N 0 3 379.504 3.503 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCCCC3)nc2)cc1Cn1cccn1 ZINC000873013835 891428352 /nfs/dbraw/zinc/42/83/52/891428352.db2.gz HTIHUCZJXSGKSF-UHFFFAOYSA-N 0 3 391.519 3.615 20 10 GHCDHN COc1cccc(CNCc2ccc(OCCOc3ccccc3)nc2)c1O ZINC000237397054 891647511 /nfs/dbraw/zinc/64/75/11/891647511.db2.gz XUBJCLPRIVNJDB-UHFFFAOYSA-N 0 3 380.444 3.543 20 10 GHCDHN COc1ccc(N2CC[NH+](Cc3c([O-])ccc4ccc(OC)cc43)CC2)cc1 ZINC000033360329 892315021 /nfs/dbraw/zinc/31/50/21/892315021.db2.gz MVBQAFQMAJAANW-UHFFFAOYSA-N 0 3 378.472 3.885 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000125327338 892502459 /nfs/dbraw/zinc/50/24/59/892502459.db2.gz UZWGDEIMTKGJKL-HSZRJFAPSA-N 0 3 390.531 3.699 20 10 GHCDHN COc1cccc([C@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001134686435 893201671 /nfs/dbraw/zinc/20/16/71/893201671.db2.gz KDWWNSLDNQKNAI-VGSWGCGISA-N 0 3 383.536 3.674 20 10 GHCDHN Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686555 893202085 /nfs/dbraw/zinc/20/20/85/893202085.db2.gz OLNZIEDMXFERCW-KRWDZBQOSA-N 0 3 395.334 3.796 20 10 GHCDHN CCOP(=O)(CCCN1CCN(c2ccc(OC)c(F)c2)CC1)OCC ZINC000876806756 893338405 /nfs/dbraw/zinc/33/84/05/893338405.db2.gz SLCNKVIHUPKDIP-UHFFFAOYSA-N 0 3 388.420 3.613 20 10 GHCDHN OC1CCN(c2ccc(CNc3cccc(CN4CCSCC4)c3)cc2)CC1 ZINC000876853625 893362804 /nfs/dbraw/zinc/36/28/04/893362804.db2.gz KOWCDCZVWOPOOM-UHFFFAOYSA-N 0 3 397.588 3.809 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CCSCc2ccccc2)N(C)C)cc1 ZINC001134881653 893477936 /nfs/dbraw/zinc/47/79/36/893477936.db2.gz CMUTXABYUKRQND-NRFANRHFSA-N 0 3 385.577 3.795 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(C3CCC3)cc2)N(C)C)cc1 ZINC001134882581 893504959 /nfs/dbraw/zinc/50/49/59/893504959.db2.gz RCSGHRJFPPUFPA-QHCPKHFHSA-N 0 3 379.548 3.982 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000877728185 893778291 /nfs/dbraw/zinc/77/82/91/893778291.db2.gz BIKQGZLIQUQHQG-OAQYLSRUSA-N 0 3 383.488 3.647 20 10 GHCDHN CC(C)[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000815558044 893997221 /nfs/dbraw/zinc/99/72/21/893997221.db2.gz OCHHMNIIHPVYCB-ZEQRLZLVSA-N 0 3 395.591 3.928 20 10 GHCDHN [O-]c1c(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)ccc2ccccc21 ZINC000816542016 894912270 /nfs/dbraw/zinc/91/22/70/894912270.db2.gz ACBOHDZSQGYIGZ-UHFFFAOYSA-N 0 3 392.499 3.546 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000816622549 894980991 /nfs/dbraw/zinc/98/09/91/894980991.db2.gz HYYKMBXQTNTIIH-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879652198 895204491 /nfs/dbraw/zinc/20/44/91/895204491.db2.gz WUNJUMWTSZZFIZ-JKSUJKDBSA-N 0 3 383.492 3.552 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3c(Cl)n(C)nc3C(C)C)C2)cc1 ZINC000818222273 896088942 /nfs/dbraw/zinc/08/89/42/896088942.db2.gz WFJQKFJTDFQGEX-OAHLLOKOSA-N 0 3 376.932 3.822 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000302888514 914057201 /nfs/dbraw/zinc/05/72/01/914057201.db2.gz AINSXLPVPRQLIU-QFIPXVFZSA-N 0 3 382.552 3.759 20 10 GHCDHN COc1c([O-])c(CNc2ccc(OCC[NH+](C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000774936496 914128076 /nfs/dbraw/zinc/12/80/76/914128076.db2.gz XBKJOJRKQHYNAM-UHFFFAOYSA-N 0 3 395.843 3.515 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000805746301 897292459 /nfs/dbraw/zinc/29/24/59/897292459.db2.gz VHYLWPHVQCUCPD-WOJBJXKFSA-N 0 3 375.896 3.630 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000805746301 897292469 /nfs/dbraw/zinc/29/24/69/897292469.db2.gz VHYLWPHVQCUCPD-WOJBJXKFSA-N 0 3 375.896 3.630 20 10 GHCDHN COc1cccc(CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)c1O ZINC000289415702 914176856 /nfs/dbraw/zinc/17/68/56/914176856.db2.gz IIYWGTTXUSROQY-UHFFFAOYSA-N 0 3 384.476 3.988 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000824160870 899434119 /nfs/dbraw/zinc/43/41/19/899434119.db2.gz KMRQHXZXRPTOHU-UHFFFAOYSA-N 0 3 391.540 3.960 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000824608397 899717115 /nfs/dbraw/zinc/71/71/15/899717115.db2.gz GQIAGUHZPPZWKA-ZDUSSCGKSA-N 0 3 383.330 3.577 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000824608397 899717120 /nfs/dbraw/zinc/71/71/20/899717120.db2.gz GQIAGUHZPPZWKA-ZDUSSCGKSA-N 0 3 383.330 3.577 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)c(C(F)(F)F)c1 ZINC000824608985 899718549 /nfs/dbraw/zinc/71/85/49/899718549.db2.gz UBJQOWVONDDEML-CQSZACIVSA-N 0 3 385.474 3.885 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000825046610 899950403 /nfs/dbraw/zinc/95/04/03/899950403.db2.gz VVUMSHOYTHTURX-GOSISDBHSA-N 0 3 375.438 3.633 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C2CCC(OC(F)F)CC2)c1[O-] ZINC000825144109 900003236 /nfs/dbraw/zinc/00/32/36/900003236.db2.gz KZSYPCGLANXCKR-UHFFFAOYSA-N 0 3 380.229 3.803 20 10 GHCDHN CCOc1ccccc1[C@@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746852 901250890 /nfs/dbraw/zinc/25/08/90/901250890.db2.gz DPVGNEKRIYRLQD-QGZVFWFLSA-N 0 3 381.520 3.638 20 10 GHCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000779013595 902802163 /nfs/dbraw/zinc/80/21/63/902802163.db2.gz SCJPWWMSCNGXQP-GOEBONIOSA-N 0 3 394.309 3.862 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000779038162 903363199 /nfs/dbraw/zinc/36/31/99/903363199.db2.gz JNARZPOBYIZXDO-OWQGQXMQSA-N 0 3 394.309 3.598 20 10 GHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F ZINC000151525762 904149275 /nfs/dbraw/zinc/14/92/75/904149275.db2.gz CUGCZTZZIJITBW-CQSZACIVSA-N 0 3 376.447 3.785 20 10 GHCDHN Cc1ccc(C[C@@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000078700530 907272737 /nfs/dbraw/zinc/27/27/37/907272737.db2.gz CBNWAXSZWZHHRY-QHCPKHFHSA-N 0 3 379.548 3.727 20 10 GHCDHN O=C1CCCN1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183046878 907318313 /nfs/dbraw/zinc/31/83/13/907318313.db2.gz DIQDNZDLHLDWCU-UHFFFAOYSA-N 0 3 380.488 3.558 20 10 GHCDHN C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773622711 908455497 /nfs/dbraw/zinc/45/54/97/908455497.db2.gz SKCGOTUZASGOKY-LJQANCHMSA-N 0 3 380.536 3.731 20 10 GHCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192747246 908820658 /nfs/dbraw/zinc/82/06/58/908820658.db2.gz FHXUUWFOCJJEFC-CYBMUJFWSA-N 0 3 395.334 3.697 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000381987871 919718967 /nfs/dbraw/zinc/71/89/67/919718967.db2.gz OBQQZVANYQBISF-WFASDCNBSA-N 0 3 384.904 3.932 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000800896777 920576162 /nfs/dbraw/zinc/57/61/62/920576162.db2.gz SECGIECSEQDFBG-INIZCTEOSA-N 0 3 380.282 3.603 20 10 GHCDHN Cc1nn(C)c(Cl)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368902012 922962060 /nfs/dbraw/zinc/96/20/60/922962060.db2.gz RAIBCWIWRLYTCJ-UHFFFAOYSA-N 0 3 384.858 3.742 20 10 GHCDHN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000826904306 924348463 /nfs/dbraw/zinc/34/84/63/924348463.db2.gz ZXXGNHKQJAULQX-UZKOGDIHSA-N 0 3 385.504 3.627 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1[O-] ZINC000827320260 925268639 /nfs/dbraw/zinc/26/86/39/925268639.db2.gz JQOBWXPSDHGFCG-PBHICJAKSA-N 0 3 378.314 3.698 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1[O-] ZINC000827943462 926370114 /nfs/dbraw/zinc/37/01/14/926370114.db2.gz XJHLDVYLLUYYIP-GOSISDBHSA-N 0 3 391.309 3.852 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000725847824 926466513 /nfs/dbraw/zinc/46/65/13/926466513.db2.gz FUGPJRRMDXLINN-UHFFFAOYSA-N 0 3 377.366 3.895 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000725850968 926468669 /nfs/dbraw/zinc/46/86/69/926468669.db2.gz HQDUXNXNLAOSSV-INIZCTEOSA-N 0 3 383.492 3.508 20 10 GHCDHN O=C([C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1)N1CCCC1 ZINC000753546668 929406771 /nfs/dbraw/zinc/40/67/71/929406771.db2.gz JRMOOOFUPINYQD-NRFANRHFSA-N 0 3 394.515 3.806 20 10 GHCDHN O=C([C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1)N1CCCC1 ZINC000753546668 929406774 /nfs/dbraw/zinc/40/67/74/929406774.db2.gz JRMOOOFUPINYQD-NRFANRHFSA-N 0 3 394.515 3.806 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1[O-] ZINC000780790375 930599082 /nfs/dbraw/zinc/59/90/82/930599082.db2.gz ZRYIMQQPENQTMV-QGZVFWFLSA-N 0 3 386.858 3.856 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000781913031 931026580 /nfs/dbraw/zinc/02/65/80/931026580.db2.gz YEHDSZVPOOKJLX-RDTXWAMCSA-N 0 3 379.342 3.912 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000781913031 931026589 /nfs/dbraw/zinc/02/65/89/931026589.db2.gz YEHDSZVPOOKJLX-RDTXWAMCSA-N 0 3 379.342 3.912 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](CC)c2ccc(C)cc2[O-])s1 ZINC000797142257 932200519 /nfs/dbraw/zinc/20/05/19/932200519.db2.gz SWLMTGCXOLDXCK-VNHYZAJKSA-N 0 3 376.526 3.819 20 10 GHCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181303 932554600 /nfs/dbraw/zinc/55/46/00/932554600.db2.gz IHZZGTMVTXRPQP-MORSLUCNSA-N 0 3 386.458 3.830 20 10 GHCDHN CCCC[N@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000829516150 935820745 /nfs/dbraw/zinc/82/07/45/935820745.db2.gz QKEPYBXIERBTGF-UHFFFAOYSA-N 0 3 382.460 3.612 20 10 GHCDHN CCCC[N@@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000829516150 935820748 /nfs/dbraw/zinc/82/07/48/935820748.db2.gz QKEPYBXIERBTGF-UHFFFAOYSA-N 0 3 382.460 3.612 20 10 GHCDHN O=C1NC[C@H](c2ccccc2)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204323257 1032768379 /nfs/dbraw/zinc/76/83/79/1032768379.db2.gz QNIUQKAYBJNMSF-HSZRJFAPSA-N 0 3 389.543 3.783 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)nn1C ZINC000834530065 1021248352 /nfs/dbraw/zinc/24/83/52/1021248352.db2.gz AKZBLRRWEURXDR-SFHVURJKSA-N 0 3 376.504 3.775 20 10 GHCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1cccc(Br)c1 ZINC000834786917 1021474438 /nfs/dbraw/zinc/47/44/38/1021474438.db2.gz DSZRFLNXUANERO-HZPDHXFCSA-N 0 3 387.277 3.537 20 10 GHCDHN Cc1ccccc1C(=O)NC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026195 1021784096 /nfs/dbraw/zinc/78/40/96/1021784096.db2.gz RXTSJASKYMBEHR-SOFGYWHQSA-N 0 3 377.532 3.969 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000835027206 1021785024 /nfs/dbraw/zinc/78/50/24/1021785024.db2.gz ILYWHFDFPDSXHM-HYXAFXHYSA-N 0 3 397.588 3.898 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(COc3ccccc32)CC1 ZINC001140664957 1022208624 /nfs/dbraw/zinc/20/86/24/1022208624.db2.gz YDSPUQPZGFHZOW-UHFFFAOYSA-N 0 3 382.479 3.589 20 10 GHCDHN COCC(=O)Nc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725843850 1022385808 /nfs/dbraw/zinc/38/58/08/1022385808.db2.gz GHGMAIKHBDVLNU-UHFFFAOYSA-N 0 3 376.456 3.934 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)c(C)n1-c1cccc(Br)c1 ZINC000725891032 1022390173 /nfs/dbraw/zinc/39/01/73/1022390173.db2.gz OPUNFJJZJMMGIP-KRWDZBQOSA-N 0 3 390.325 3.681 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c(Cl)c1 ZINC001140923531 1022898855 /nfs/dbraw/zinc/89/88/55/1022898855.db2.gz BFWOVDMCTCQQQV-VQIMIIECSA-N 0 3 390.984 3.959 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c(Cl)c1 ZINC001140924299 1022901406 /nfs/dbraw/zinc/90/14/06/1022901406.db2.gz NHWLDSWAIDFJGY-FQEVSTJZSA-N 0 3 397.950 3.902 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c([O-])c1 ZINC001140949454 1022969338 /nfs/dbraw/zinc/96/93/38/1022969338.db2.gz CIMAANSLJNGTPE-UHFFFAOYSA-N 0 3 382.479 3.997 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950095 1022971711 /nfs/dbraw/zinc/97/17/11/1022971711.db2.gz MUFXZJURKAIEJN-DNQXCXABSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950095 1022971723 /nfs/dbraw/zinc/97/17/23/1022971723.db2.gz MUFXZJURKAIEJN-DNQXCXABSA-N 0 3 396.531 3.992 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141030649 1023295717 /nfs/dbraw/zinc/29/57/17/1023295717.db2.gz FJPULOLPYKFNSI-SHTZXODSSA-N 0 3 394.512 3.677 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141030649 1023295726 /nfs/dbraw/zinc/29/57/26/1023295726.db2.gz FJPULOLPYKFNSI-SHTZXODSSA-N 0 3 394.512 3.677 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3c(C(F)(F)F)nc4n3CCCC4)C2)cc1 ZINC001203089024 1023382532 /nfs/dbraw/zinc/38/25/32/1023382532.db2.gz ACMAJUGEXWFHOJ-AWEZNQCLSA-N 0 3 394.441 3.615 20 10 GHCDHN Cc1ccnc(O[C@H]2CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)n1 ZINC001141079205 1023445226 /nfs/dbraw/zinc/44/52/26/1023445226.db2.gz WQGDGGCOSQUNTH-NRFANRHFSA-N 0 3 378.520 3.527 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000756462081 1023663753 /nfs/dbraw/zinc/66/37/53/1023663753.db2.gz YQAUMOCRAIUEHO-ACJLOTCBSA-N 0 3 388.458 3.970 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2ccc3c(c2)CCO3)cc1 ZINC000756516979 1023694163 /nfs/dbraw/zinc/69/41/63/1023694163.db2.gz VBFDYXXLQZTNBG-IFMALSPDSA-N 0 3 385.529 3.805 20 10 GHCDHN COc1cc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc(OC)c1 ZINC000756638884 1023748926 /nfs/dbraw/zinc/74/89/26/1023748926.db2.gz WUHRELGASNRUKV-ZUEVXXBESA-N 0 3 389.467 3.538 20 10 GHCDHN COC(=O)c1cccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC001138499730 1024932898 /nfs/dbraw/zinc/93/28/98/1024932898.db2.gz GNHOPEQRYMCNOT-QFIPXVFZSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccccc4OC)C3)C2)cc1 ZINC001203428535 1027330603 /nfs/dbraw/zinc/33/06/03/1027330603.db2.gz SABSOTDQUMCJFB-DEOSSOPVSA-N 0 3 396.531 3.823 20 10 GHCDHN COc1ccc(O)c(CN2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)c1 ZINC001203681094 1027526530 /nfs/dbraw/zinc/52/65/30/1027526530.db2.gz OZDAFEVMEOCQGF-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1[O-] ZINC000840978039 1028016584 /nfs/dbraw/zinc/01/65/84/1028016584.db2.gz OUSDMSYEXWZWTR-OAHLLOKOSA-N 0 3 395.272 3.671 20 10 GHCDHN Cc1ccccc1-n1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000842673625 1029476317 /nfs/dbraw/zinc/47/63/17/1029476317.db2.gz DXEDVPJZHBHFGM-LJQANCHMSA-N 0 3 376.504 3.868 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CSc3ccccc32)N(C)C)cc1 ZINC001222145297 1029978166 /nfs/dbraw/zinc/97/81/66/1029978166.db2.gz GMKDSDDWXLWXIM-OALUTQOASA-N 0 3 384.549 3.502 20 10 GHCDHN COc1cc([O-])c(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1Br ZINC001222167057 1029984166 /nfs/dbraw/zinc/98/41/66/1029984166.db2.gz HGCCHWLAMMHHKE-LJQANCHMSA-N 0 3 397.357 3.909 20 10 GHCDHN CC(C)Oc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001222472816 1030154386 /nfs/dbraw/zinc/15/43/86/1030154386.db2.gz JRHVKOBCDMAYSS-JOCHJYFZSA-N 0 3 398.551 3.642 20 10 GHCDHN COCc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1F ZINC001153552912 1031644722 /nfs/dbraw/zinc/64/47/22/1031644722.db2.gz QNEAZAHJELEAOL-UHFFFAOYSA-N 0 3 385.483 3.755 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H]2CCc3ccccc32)N(C)C)cc1 ZINC001229318815 1033413608 /nfs/dbraw/zinc/41/36/08/1033413608.db2.gz CMUVNLJXPSGTJB-WMZHIEFXSA-N 0 3 394.563 3.775 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC001207825946 1034603293 /nfs/dbraw/zinc/60/32/93/1034603293.db2.gz DCZGTVGNBAQCDS-GDBMZVCRSA-N 0 3 384.467 3.962 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC001207825946 1034603295 /nfs/dbraw/zinc/60/32/95/1034603295.db2.gz DCZGTVGNBAQCDS-GDBMZVCRSA-N 0 3 384.467 3.962 20 10 GHCDHN CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467201 1034611555 /nfs/dbraw/zinc/61/15/55/1034611555.db2.gz JFVMHDZHZFUUCQ-QHCPKHFHSA-N 0 3 380.488 3.558 20 10 GHCDHN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467201 1034611565 /nfs/dbraw/zinc/61/15/65/1034611565.db2.gz JFVMHDZHZFUUCQ-QHCPKHFHSA-N 0 3 380.488 3.558 20 10 GHCDHN O=C1[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2CN1Cc1cccc(F)c1 ZINC001231586448 1034738301 /nfs/dbraw/zinc/73/83/01/1034738301.db2.gz HUYBSOLTPNKBTI-RXVVDRJESA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2CN1Cc1cccc(F)c1 ZINC001231586448 1034738309 /nfs/dbraw/zinc/73/83/09/1034738309.db2.gz HUYBSOLTPNKBTI-RXVVDRJESA-N 0 3 390.458 3.775 20 10 GHCDHN Cc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1O ZINC001231594633 1034748603 /nfs/dbraw/zinc/74/86/03/1034748603.db2.gz LYXLWMMTIUPXOD-LSDHHAIUSA-N 0 3 388.430 3.978 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001231851517 1034942943 /nfs/dbraw/zinc/94/29/43/1034942943.db2.gz DLLNOVLSWHCUKQ-IBGZPJMESA-N 0 3 399.579 3.670 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001231853725 1034943436 /nfs/dbraw/zinc/94/34/36/1034943436.db2.gz PDFFMCQQHKCXJR-KRWDZBQOSA-N 0 3 377.529 3.640 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1nc(Cl)nc2[nH]ccc21)c1ccccc1O ZINC001160616158 1035016674 /nfs/dbraw/zinc/01/66/74/1035016674.db2.gz DTAQDVHYSFWUFM-IAGOWNOFSA-N 0 3 395.850 3.876 20 10 GHCDHN F[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1N1CCCCC1 ZINC001232204602 1035159802 /nfs/dbraw/zinc/15/98/02/1035159802.db2.gz SCUCRZRJOHIZBU-FPOVZHCZSA-N 0 3 395.950 3.575 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(CN2CCC(NC(=O)c3ccccn3)CC2)cc1 ZINC001209519733 1035301195 /nfs/dbraw/zinc/30/11/95/1035301195.db2.gz HAKRFHKAAPYZNM-UHFFFAOYSA-N 0 3 388.515 3.884 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c1[O-] ZINC001461990971 1069932234 /nfs/dbraw/zinc/93/22/34/1069932234.db2.gz DHXWIBKZENFMLI-OKZIQPOMSA-N 0 3 384.314 3.875 20 10 GHCDHN C[C@H]1[C@H](C)N(Cc2ccc(N3CCCCC3)c(Br)c2)CCN1C ZINC001462122992 1070014563 /nfs/dbraw/zinc/01/45/63/1070014563.db2.gz CHGAPIOIHUYQRQ-HOTGVXAUSA-N 0 3 380.374 3.964 20 10 GHCDHN CCOC(=O)N1CCC([N@H+](C)Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001233110036 1038899429 /nfs/dbraw/zinc/89/94/29/1038899429.db2.gz PCEWBJUYRRAKRS-UHFFFAOYSA-N 0 3 385.302 3.516 20 10 GHCDHN CCOC(=O)N1CCC([N@@H+](C)Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001233110036 1038899453 /nfs/dbraw/zinc/89/94/53/1038899453.db2.gz PCEWBJUYRRAKRS-UHFFFAOYSA-N 0 3 385.302 3.516 20 10 GHCDHN COc1ccc(O[C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)nc1 ZINC001233111763 1038903284 /nfs/dbraw/zinc/90/32/84/1038903284.db2.gz WUDCHRFDKJMKOP-INIZCTEOSA-N 0 3 393.281 3.520 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001233196472 1038962885 /nfs/dbraw/zinc/96/28/85/1038962885.db2.gz VLKXDWMTGPTGAC-AWEZNQCLSA-N 0 3 397.263 3.833 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001233196472 1038962888 /nfs/dbraw/zinc/96/28/88/1038962888.db2.gz VLKXDWMTGPTGAC-AWEZNQCLSA-N 0 3 397.263 3.833 20 10 GHCDHN CC(C)(C)c1ccc(O)c(CN2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001233284727 1039060587 /nfs/dbraw/zinc/06/05/87/1039060587.db2.gz FTNLWVIXSGVIQO-GOSISDBHSA-N 0 3 383.536 3.945 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(c3nc4ccc(C)cn4n3)CC2)c1O ZINC001233289448 1039070927 /nfs/dbraw/zinc/07/09/27/1039070927.db2.gz WLJDTYKPPVERIQ-UHFFFAOYSA-N 0 3 386.883 3.785 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC(c3nc4ccc(C)cn4n3)CC2)c1[O-] ZINC001233289448 1039070946 /nfs/dbraw/zinc/07/09/46/1039070946.db2.gz WLJDTYKPPVERIQ-UHFFFAOYSA-N 0 3 386.883 3.785 20 10 GHCDHN COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@H]1c1ccccc1 ZINC001233291114 1039076193 /nfs/dbraw/zinc/07/61/93/1039076193.db2.gz MTIFJMMMBZNTCR-WMZOPIPTSA-N 0 3 375.852 3.790 20 10 GHCDHN C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233417093 1039274625 /nfs/dbraw/zinc/27/46/25/1039274625.db2.gz HVESOUYQFPBVLN-YLJYHZDGSA-N 0 3 398.469 3.591 20 10 GHCDHN C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233417093 1039274640 /nfs/dbraw/zinc/27/46/40/1039274640.db2.gz HVESOUYQFPBVLN-YLJYHZDGSA-N 0 3 398.469 3.591 20 10 GHCDHN Oc1cc(O)c(CN2CCC(Oc3ccc(Br)cc3)CC2)cc1O ZINC001233485402 1039382354 /nfs/dbraw/zinc/38/23/54/1039382354.db2.gz UNXQHTMJVPVGQY-UHFFFAOYSA-N 0 3 394.265 3.609 20 10 GHCDHN Cc1cnc2n1CCC21CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233745816 1039584709 /nfs/dbraw/zinc/58/47/09/1039584709.db2.gz OMDDWNRUOZBACQ-UHFFFAOYSA-N 0 3 381.398 3.733 20 10 GHCDHN CC(C)(C)OC(=O)C1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233760475 1039594219 /nfs/dbraw/zinc/59/42/19/1039594219.db2.gz FUASDYRIVYJPKN-UHFFFAOYSA-N 0 3 375.387 3.845 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c2c1 ZINC001234535771 1040108851 /nfs/dbraw/zinc/10/88/51/1040108851.db2.gz GQEXBVUMQSXMDU-XMMPIXPASA-N 0 3 394.515 3.779 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c2c1 ZINC001234535771 1040108856 /nfs/dbraw/zinc/10/88/56/1040108856.db2.gz GQEXBVUMQSXMDU-XMMPIXPASA-N 0 3 394.515 3.779 20 10 GHCDHN COc1ccc2ccc(O)c(CN3CCn4c(CN(C)C(C)C)cnc4C3)c2c1 ZINC001234544559 1040115275 /nfs/dbraw/zinc/11/52/75/1040115275.db2.gz IOKUIZQUQSVASS-UHFFFAOYSA-N 0 3 394.519 3.607 20 10 GHCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)c1ccccn1 ZINC001234997552 1040491623 /nfs/dbraw/zinc/49/16/23/1040491623.db2.gz DVJHTPOEMCWEEX-HXUWFJFHSA-N 0 3 387.483 3.849 20 10 GHCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)c1ccccn1 ZINC001234997552 1040491631 /nfs/dbraw/zinc/49/16/31/1040491631.db2.gz DVJHTPOEMCWEEX-HXUWFJFHSA-N 0 3 387.483 3.849 20 10 GHCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)N1CCCC1 ZINC001234999538 1040494112 /nfs/dbraw/zinc/49/41/12/1040494112.db2.gz WHPJYEIZMFNLMM-HXUWFJFHSA-N 0 3 379.504 3.829 20 10 GHCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)N1CCCC1 ZINC001234999538 1040494125 /nfs/dbraw/zinc/49/41/25/1040494125.db2.gz WHPJYEIZMFNLMM-HXUWFJFHSA-N 0 3 379.504 3.829 20 10 GHCDHN OC[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462484641 1070294050 /nfs/dbraw/zinc/29/40/50/1070294050.db2.gz DRQLKVRMXLOVSI-VQTJNVASSA-N 0 3 390.449 3.852 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c([O-])c1 ZINC001235678255 1041139365 /nfs/dbraw/zinc/13/93/65/1041139365.db2.gz FHUMCMXVGZKCGG-RXVVDRJESA-N 0 3 396.506 3.919 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c([O-])c1 ZINC001235678255 1041139375 /nfs/dbraw/zinc/13/93/75/1041139375.db2.gz FHUMCMXVGZKCGG-RXVVDRJESA-N 0 3 396.506 3.919 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)c([O-])c1 ZINC001235678754 1041140258 /nfs/dbraw/zinc/14/02/58/1041140258.db2.gz JOISAOVUYWLAGE-HXUWFJFHSA-N 0 3 393.531 3.723 20 10 GHCDHN Cc1cc(F)cc(CN2CCN[C@@H](c3cccc(Br)c3)C2)c1O ZINC001235793825 1041290287 /nfs/dbraw/zinc/29/02/87/1041290287.db2.gz CSNWBBUZDNFOPR-QGZVFWFLSA-N 0 3 379.273 3.749 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235816388 1041330889 /nfs/dbraw/zinc/33/08/89/1041330889.db2.gz SCDGFVKOTQFGGS-INIZCTEOSA-N 0 3 381.701 3.955 20 10 GHCDHN CN(Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214116 1041624947 /nfs/dbraw/zinc/62/49/47/1041624947.db2.gz PSQZMGLPRLLRII-STQMWFEESA-N 0 3 392.135 3.619 20 10 GHCDHN COc1ccc(CN(Cc2cc(F)c(Cl)cc2[O-])C2CC[NH2+]CC2)cc1 ZINC001236447860 1041717222 /nfs/dbraw/zinc/71/72/22/1041717222.db2.gz LSNQCADCQLOXLV-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001236785653 1041891710 /nfs/dbraw/zinc/89/17/10/1041891710.db2.gz AJVYHRJHCVDPOD-QPPBQGQZSA-N 0 3 378.516 3.793 20 10 GHCDHN CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001236785653 1041891718 /nfs/dbraw/zinc/89/17/18/1041891718.db2.gz AJVYHRJHCVDPOD-QPPBQGQZSA-N 0 3 378.516 3.793 20 10 GHCDHN CCc1ccc(C[N@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)c([O-])c1 ZINC001236787415 1041893224 /nfs/dbraw/zinc/89/32/24/1041893224.db2.gz UZCDFMFCKHUMLH-UHFFFAOYSA-N 0 3 399.560 3.638 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)c([O-])c1 ZINC001236787415 1041893230 /nfs/dbraw/zinc/89/32/30/1041893230.db2.gz UZCDFMFCKHUMLH-UHFFFAOYSA-N 0 3 399.560 3.638 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c([O-])c1 ZINC001236789016 1041894523 /nfs/dbraw/zinc/89/45/23/1041894523.db2.gz ZIZPNNRKBDHKIS-SFHVURJKSA-N 0 3 386.467 3.691 20 10 GHCDHN COc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccc(C)o2)c([O-])c1Cl ZINC001236801604 1041903897 /nfs/dbraw/zinc/90/38/97/1041903897.db2.gz KDMQTOBIRZMYEQ-SJORKVTESA-N 0 3 376.884 3.804 20 10 GHCDHN COc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccc(C)o2)c([O-])c1Cl ZINC001236801604 1041903903 /nfs/dbraw/zinc/90/39/03/1041903903.db2.gz KDMQTOBIRZMYEQ-SJORKVTESA-N 0 3 376.884 3.804 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001236811455 1041911570 /nfs/dbraw/zinc/91/15/70/1041911570.db2.gz OQZSRQMNCFIVJS-HSZRJFAPSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001236811455 1041911572 /nfs/dbraw/zinc/91/15/72/1041911572.db2.gz OQZSRQMNCFIVJS-HSZRJFAPSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(Oc3ncnc4ccccc43)CC2)c([O-])c1 ZINC001236815044 1041913464 /nfs/dbraw/zinc/91/34/64/1041913464.db2.gz GYGOZWOMTNRFAV-UHFFFAOYSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1cc(C)c(CN2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)c(O)c1 ZINC001236820937 1041916329 /nfs/dbraw/zinc/91/63/29/1041916329.db2.gz POGFGYKWYYEOLF-UHFFFAOYSA-N 0 3 385.435 3.848 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001236833380 1041922052 /nfs/dbraw/zinc/92/20/52/1041922052.db2.gz WCOMMKGVECHQCK-JWNTYJGQSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001236833380 1041922054 /nfs/dbraw/zinc/92/20/54/1041922054.db2.gz WCOMMKGVECHQCK-JWNTYJGQSA-N 0 3 390.483 3.999 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001236833380 1041922056 /nfs/dbraw/zinc/92/20/56/1041922056.db2.gz WCOMMKGVECHQCK-JWNTYJGQSA-N 0 3 390.483 3.999 20 10 GHCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CC1(C)C ZINC001236853465 1041928956 /nfs/dbraw/zinc/92/89/56/1041928956.db2.gz ZUWPGSWUJOXTJX-KRWDZBQOSA-N 0 3 390.524 4.000 20 10 GHCDHN C[N@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CC1(C)C ZINC001236853465 1041928958 /nfs/dbraw/zinc/92/89/58/1041928958.db2.gz ZUWPGSWUJOXTJX-KRWDZBQOSA-N 0 3 390.524 4.000 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c([O-])c1 ZINC001237041791 1042002111 /nfs/dbraw/zinc/00/21/11/1042002111.db2.gz UOBICEQPMSHEGL-HXUWFJFHSA-N 0 3 389.536 3.836 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c([O-])c1 ZINC001237044556 1042004540 /nfs/dbraw/zinc/00/45/40/1042004540.db2.gz YWEKDRZOHRJOEQ-JTHBVZDNSA-N 0 3 398.503 3.526 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c([O-])c1 ZINC001237044556 1042004548 /nfs/dbraw/zinc/00/45/48/1042004548.db2.gz YWEKDRZOHRJOEQ-JTHBVZDNSA-N 0 3 398.503 3.526 20 10 GHCDHN CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237049561 1042009248 /nfs/dbraw/zinc/00/92/48/1042009248.db2.gz XBPSNLKJTRIQLD-UHFFFAOYSA-N 0 3 382.552 3.847 20 10 GHCDHN Cc1cnc2n1CCC21CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237052762 1042010763 /nfs/dbraw/zinc/01/07/63/1042010763.db2.gz UTBVEOOCNYUMCN-UHFFFAOYSA-N 0 3 395.425 3.776 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4cscn4)CC[C@@H]3C2)c([O-])c1 ZINC001237052930 1042012153 /nfs/dbraw/zinc/01/21/53/1042012153.db2.gz FJWORZFJTZYFNT-AEFFLSMTSA-N 0 3 385.533 3.566 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4cscn4)CC[C@@H]3C2)c([O-])c1 ZINC001237052930 1042012161 /nfs/dbraw/zinc/01/21/61/1042012161.db2.gz FJWORZFJTZYFNT-AEFFLSMTSA-N 0 3 385.533 3.566 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001237055342 1042012593 /nfs/dbraw/zinc/01/25/93/1042012593.db2.gz DVKSSEBOFQKWIR-UHFFFAOYSA-N 0 3 396.409 3.910 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001237055342 1042012598 /nfs/dbraw/zinc/01/25/98/1042012598.db2.gz DVKSSEBOFQKWIR-UHFFFAOYSA-N 0 3 396.409 3.910 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001237056809 1042013075 /nfs/dbraw/zinc/01/30/75/1042013075.db2.gz OPDRQHMDYCVLJA-UHFFFAOYSA-N 0 3 382.382 3.772 20 10 GHCDHN CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237059947 1042015567 /nfs/dbraw/zinc/01/55/67/1042015567.db2.gz QUPUTIMPPMMATN-CYBMUJFWSA-N 0 3 385.386 3.658 20 10 GHCDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237059947 1042015573 /nfs/dbraw/zinc/01/55/73/1042015573.db2.gz QUPUTIMPPMMATN-CYBMUJFWSA-N 0 3 385.386 3.658 20 10 GHCDHN COc1cc([O-])c(CN(CC[NH+](C)C)Cc2ccccc2)c(Br)c1 ZINC001237064271 1042017708 /nfs/dbraw/zinc/01/77/08/1042017708.db2.gz ZHKNPAHCGNRHAC-UHFFFAOYSA-N 0 3 393.325 3.727 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1c1ccccc1 ZINC001237124734 1042053099 /nfs/dbraw/zinc/05/30/99/1042053099.db2.gz DIOFVMILAKBFFG-CABCVRRESA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1c1ccccc1 ZINC001237124734 1042053102 /nfs/dbraw/zinc/05/31/02/1042053102.db2.gz DIOFVMILAKBFFG-CABCVRRESA-N 0 3 395.377 3.679 20 10 GHCDHN O=C1Nc2ccccc2C12CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237134791 1042056567 /nfs/dbraw/zinc/05/65/67/1042056567.db2.gz BCKKQKUVDWDWTQ-UHFFFAOYSA-N 0 3 376.378 3.897 20 10 GHCDHN Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC3)cn1 ZINC001237134835 1042056596 /nfs/dbraw/zinc/05/65/96/1042056596.db2.gz BUOWZWOTBUJHLT-OAHLLOKOSA-N 0 3 395.425 3.683 20 10 GHCDHN O=C(c1ccccc1)N1C[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2C1 ZINC001237135439 1042057720 /nfs/dbraw/zinc/05/77/20/1042057720.db2.gz HZZVJTZPZQEQRP-IRXDYDNUSA-N 0 3 390.405 3.615 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001237216209 1042093311 /nfs/dbraw/zinc/09/33/11/1042093311.db2.gz QSLDEONTVWMCHF-QFIPXVFZSA-N 0 3 389.584 3.705 20 10 GHCDHN CCN1CC[C@@]2(C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@@H]2C)C1=O ZINC001237647006 1042301667 /nfs/dbraw/zinc/30/16/67/1042301667.db2.gz URTWJCBBOCVMAS-HJPURHCSSA-N 0 3 382.479 3.889 20 10 GHCDHN CCN1CC[C@@]2(C[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@@H]2C)C1=O ZINC001237647006 1042301675 /nfs/dbraw/zinc/30/16/75/1042301675.db2.gz URTWJCBBOCVMAS-HJPURHCSSA-N 0 3 382.479 3.889 20 10 GHCDHN COc1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c(O)c(OC)c1 ZINC001237674986 1042317299 /nfs/dbraw/zinc/31/72/99/1042317299.db2.gz PDPPIRYSPHDLLJ-UHFFFAOYSA-N 0 3 377.868 3.546 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc1Br ZINC001237677407 1042317903 /nfs/dbraw/zinc/31/79/03/1042317903.db2.gz MOZYMEUJPDUFMF-XHDPSFHLSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc1Br ZINC001237677407 1042317910 /nfs/dbraw/zinc/31/79/10/1042317910.db2.gz MOZYMEUJPDUFMF-XHDPSFHLSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1Br ZINC001237678937 1042320650 /nfs/dbraw/zinc/32/06/50/1042320650.db2.gz DDVBRYMPCSVBPU-ZWKOTPCHSA-N 0 3 376.294 3.641 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1Br ZINC001237678937 1042320654 /nfs/dbraw/zinc/32/06/54/1042320654.db2.gz DDVBRYMPCSVBPU-ZWKOTPCHSA-N 0 3 376.294 3.641 20 10 GHCDHN Cc1cc(O)c(CN2CCC[C@@H](Oc3cccnc3)C2)cc1Br ZINC001237679048 1042321045 /nfs/dbraw/zinc/32/10/45/1042321045.db2.gz MNBRPCISEMUGLE-MRXNPFEDSA-N 0 3 377.282 3.902 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683984 1042324851 /nfs/dbraw/zinc/32/48/51/1042324851.db2.gz JSECLDODAIIPTB-YOEHRIQHSA-N 0 3 377.941 3.907 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683984 1042324858 /nfs/dbraw/zinc/32/48/58/1042324858.db2.gz JSECLDODAIIPTB-YOEHRIQHSA-N 0 3 377.941 3.907 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1[O-] ZINC001237689706 1042328263 /nfs/dbraw/zinc/32/82/63/1042328263.db2.gz OVRWGSKWNABTHD-UHFFFAOYSA-N 0 3 376.859 3.888 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCC(NC(=O)c3ccccc3F)CC2)c1O ZINC001237689706 1042328268 /nfs/dbraw/zinc/32/82/68/1042328268.db2.gz OVRWGSKWNABTHD-UHFFFAOYSA-N 0 3 376.859 3.888 20 10 GHCDHN Cc1cc(Cl)cc(CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1O ZINC001237690118 1042328288 /nfs/dbraw/zinc/32/82/88/1042328288.db2.gz MEWKDKHICMZIOA-FQEVSTJZSA-N 0 3 396.915 3.566 20 10 GHCDHN CCOC(=O)CCC[C@@H](C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001258134213 1044419222 /nfs/dbraw/zinc/41/92/22/1044419222.db2.gz ZGCJBPGZCZLTNX-OAHLLOKOSA-N 0 3 388.430 3.829 20 10 GHCDHN COc1ccc(N2CCC(NCc3ccncc3Br)CC2)cc1 ZINC001262006753 1046148127 /nfs/dbraw/zinc/14/81/27/1046148127.db2.gz HIVAIUHDHQYPPW-UHFFFAOYSA-N 0 3 376.298 3.611 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000389023052 1047405145 /nfs/dbraw/zinc/40/51/45/1047405145.db2.gz GUWWVTSXOLNZHE-SWLSCSKDSA-N 0 3 384.904 3.837 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)N(C)C)cc1 ZINC001463276826 1070957287 /nfs/dbraw/zinc/95/72/87/1070957287.db2.gz ATYBATVVFSAAID-OAQYLSRUSA-N 0 3 383.536 3.963 20 10 GHCDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000731847288 1048918521 /nfs/dbraw/zinc/91/85/21/1048918521.db2.gz IGYNQZYYXGDKLL-UHFFFAOYSA-N 0 3 383.448 3.992 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2csc(-c3ccco3)n2)N(C)C)cc1 ZINC001289599901 1049555687 /nfs/dbraw/zinc/55/56/87/1049555687.db2.gz LUXHBTKZQGEWOP-KRWDZBQOSA-N 0 3 384.505 3.502 20 10 GHCDHN Cc1ccc(OCCCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001289599422 1049555928 /nfs/dbraw/zinc/55/59/28/1049555928.db2.gz AYPSWIRVLBVIEV-JOCHJYFZSA-N 0 3 383.536 3.639 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccc3[nH]ccc3c2)N(C)C)cc1 ZINC001289599845 1049556238 /nfs/dbraw/zinc/55/62/38/1049556238.db2.gz JPXROAWOPOFPOR-JOCHJYFZSA-N 0 3 378.520 3.586 20 10 GHCDHN COc1ccc2oc(C)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c2c1 ZINC001289599406 1049556262 /nfs/dbraw/zinc/55/62/62/1049556262.db2.gz AFCGCFOBSGTAIP-HXUWFJFHSA-N 0 3 395.503 3.849 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)N(C)C)cc1 ZINC001289600256 1049556558 /nfs/dbraw/zinc/55/65/58/1049556558.db2.gz OIPVVKVTASPUTP-GOSISDBHSA-N 0 3 397.416 3.943 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC001308289804 1049939301 /nfs/dbraw/zinc/93/93/01/1049939301.db2.gz KWDKWWOXBIVDDC-QTGUNEKASA-N 0 3 377.532 3.812 20 10 GHCDHN C[C@@H](c1ccccc1F)N1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC001308413951 1049970134 /nfs/dbraw/zinc/97/01/34/1049970134.db2.gz ICZZBGVSXYAMEK-KKSFZXQISA-N 0 3 382.479 3.993 20 10 GHCDHN C[C@H](CCc1ccccc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311367338 1052063632 /nfs/dbraw/zinc/06/36/32/1052063632.db2.gz LGIAQYZPBVEAAU-GCJKJVERSA-N 0 3 382.552 3.676 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001311989991 1052517586 /nfs/dbraw/zinc/51/75/86/1052517586.db2.gz UVGDLUYNTRTZKJ-VQTJNVASSA-N 0 3 396.579 3.812 20 10 GHCDHN CN(C)c1cc(F)c(CNCCNc2ncc(Cl)cc2Cl)cc1F ZINC001200649397 1056589739 /nfs/dbraw/zinc/58/97/39/1056589739.db2.gz YCGXFZHMLRCMDK-UHFFFAOYSA-N 0 3 375.250 3.934 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC4(CC3)OCc3ccccc34)cc2F)CC1 ZINC001323324533 1056953397 /nfs/dbraw/zinc/95/33/97/1056953397.db2.gz XDKQMJLDDABNEN-UHFFFAOYSA-N 0 3 395.522 3.599 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1[O-] ZINC000848519424 1057144742 /nfs/dbraw/zinc/14/47/42/1057144742.db2.gz BSVJFORZNKXAOX-MEBBXXQBSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)c1[O-] ZINC000848525694 1057149479 /nfs/dbraw/zinc/14/94/79/1057149479.db2.gz SJBARTDVCNHICR-VXGBXAGGSA-N 0 3 382.302 3.655 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000848528092 1057150966 /nfs/dbraw/zinc/15/09/66/1057150966.db2.gz KFMKIPFPUHMBGQ-QLJPJBMISA-N 0 3 386.311 3.783 20 10 GHCDHN FC(F)Oc1ccc(N2CCC(NCc3cc4n(n3)CCCC4)CC2)cc1 ZINC000848533944 1057155426 /nfs/dbraw/zinc/15/54/26/1057155426.db2.gz LIPQEEBXAJNTBR-UHFFFAOYSA-N 0 3 376.451 3.579 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000848536154 1057157857 /nfs/dbraw/zinc/15/78/57/1057157857.db2.gz LKIUCSQXFXCRAU-NHYWBVRUSA-N 0 3 398.272 3.557 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000848535933 1057157869 /nfs/dbraw/zinc/15/78/69/1057157869.db2.gz MBTMTRZJCCQDPL-HXPMCKFVSA-N 0 3 392.293 3.648 20 10 GHCDHN CN(C)Cc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1Cl ZINC001326831944 1057564482 /nfs/dbraw/zinc/56/44/82/1057564482.db2.gz MKFOPZKPOUCSKF-UHFFFAOYSA-N 0 3 390.934 3.905 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)c2cc(F)cc(F)c2)N(C)C)cc1 ZINC001439959008 1058364967 /nfs/dbraw/zinc/36/49/67/1058364967.db2.gz AXRSUAQTDOCJIQ-GOSISDBHSA-N 0 3 397.416 3.542 20 10 GHCDHN N[C@@H]1CCc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc2NC1=O ZINC001340233057 1059781979 /nfs/dbraw/zinc/78/19/79/1059781979.db2.gz JKOAEANICWOKKL-HXUWFJFHSA-N 0 3 392.503 3.531 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN(CCc2cccc(F)c2)C2CCCC2)cc1 ZINC001459801247 1064223671 /nfs/dbraw/zinc/22/36/71/1064223671.db2.gz HSLANLHADJFBGF-UHFFFAOYSA-N 0 3 397.538 3.995 20 10 GHCDHN COc1cc(C)cc(CN[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1O ZINC001353585636 1066062575 /nfs/dbraw/zinc/06/25/75/1066062575.db2.gz ZSBCTJPAZXIFDH-OAHLLOKOSA-N 0 3 388.483 3.660 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001468743549 1067857027 /nfs/dbraw/zinc/85/70/27/1067857027.db2.gz HYVUETQALLLUAF-PGRDOPGGSA-N 0 3 380.536 3.523 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)[C@H]3CCCN(C)C3)cc2Cl)C1 ZINC001478528522 1078906269 /nfs/dbraw/zinc/90/62/69/1078906269.db2.gz PEECJERFVPGHTP-AEFFLSMTSA-N 0 3 392.975 3.812 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCN(C)C(C)(C)CC2)ccc1C ZINC001470650884 1072670023 /nfs/dbraw/zinc/67/00/23/1072670023.db2.gz SSKOGUPCQUWTLL-UHFFFAOYSA-N 0 3 381.520 3.771 20 10 GHCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC(F)(F)CC1 ZINC001478889627 1079015818 /nfs/dbraw/zinc/01/58/18/1079015818.db2.gz ZWKUAMWOQBXBSF-HNAYVOBHSA-N 0 3 396.526 3.869 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]2c2ccc(F)cc2)N(C)C)cc1 ZINC001479533458 1079224142 /nfs/dbraw/zinc/22/41/42/1079224142.db2.gz IESHMYRDXVMQGV-LEWJYISDSA-N 0 3 384.499 3.651 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)N(C)C)cc1 ZINC001479533547 1079224291 /nfs/dbraw/zinc/22/42/91/1079224291.db2.gz JANOXGJHROWACP-LEWJYISDSA-N 0 3 395.551 3.543 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](C3CCC3)CC2)N(C)C)cc1 ZINC001479534619 1079224544 /nfs/dbraw/zinc/22/45/44/1079224544.db2.gz NQYKNAMIHAKSQW-KNQAVFIVSA-N 0 3 386.584 3.967 20 10 GHCDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC(F)F ZINC000178072064 837738092 /nfs/dbraw/zinc/73/80/92/837738092.db2.gz CYMXJDWULLYPKN-UHFFFAOYSA-N 0 3 392.446 3.765 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000728791581 841830160 /nfs/dbraw/zinc/83/01/60/841830160.db2.gz CYOKOVDHBQNGGK-INIZCTEOSA-N 0 3 399.560 3.591 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000729051643 844701248 /nfs/dbraw/zinc/70/12/48/844701248.db2.gz UNVCMLLPLMBFAN-LAUBAEHRSA-N 0 3 397.519 3.907 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(OC(F)F)c(F)c3)cc2F)CC1 ZINC000168152415 845495626 /nfs/dbraw/zinc/49/56/26/845495626.db2.gz GSEUYAFOTRSIBL-UHFFFAOYSA-N 0 3 398.400 3.817 20 10 GHCDHN O=C(CN[C@@H]1CCOC12CCOCC2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000934406325 847011847 /nfs/dbraw/zinc/01/18/47/847011847.db2.gz QFZNIIHAHAXFMC-HXUWFJFHSA-N 0 3 394.475 3.968 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000273197040 847271315 /nfs/dbraw/zinc/27/13/15/847271315.db2.gz HXINRBXZKDOWEX-WMZHIEFXSA-N 0 3 392.547 3.914 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c2c1c(F)ccc2[O-] ZINC000760029248 853778204 /nfs/dbraw/zinc/77/82/04/853778204.db2.gz MWHUDEKFKASYNI-YGRLFVJLSA-N 0 3 383.872 3.926 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000760699714 854373651 /nfs/dbraw/zinc/37/36/51/854373651.db2.gz DBRIFNVFURZYMG-QFIPXVFZSA-N 0 3 379.456 3.803 20 10 GHCDHN CCOc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1O ZINC000733334296 862876797 /nfs/dbraw/zinc/87/67/97/862876797.db2.gz FCPOMWSPBCGFIR-SFHVURJKSA-N 0 3 390.911 3.904 20 10 GHCDHN Cc1cc2ncc([C@@H](C)NCc3ccc(N4CCSCC4)cc3)c(C)n2n1 ZINC000179400187 858818953 /nfs/dbraw/zinc/81/89/53/858818953.db2.gz XWRIBFPUZCLKHD-MRXNPFEDSA-N 0 3 381.549 3.750 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000763446770 881358527 /nfs/dbraw/zinc/35/85/27/881358527.db2.gz YIORIESEJBSFLW-IEBWSBKVSA-N 0 3 394.284 3.858 20 10 GHCDHN CC1(C)Cc2occc2[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000765252283 859867582 /nfs/dbraw/zinc/86/75/82/859867582.db2.gz IRXBBOVVEGBHEW-YLJYHZDGSA-N 0 3 381.520 3.785 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2ccccc2n1 ZINC000765254495 859872709 /nfs/dbraw/zinc/87/27/09/859872709.db2.gz MZZJZUUROVOGLC-YLJYHZDGSA-N 0 3 388.515 3.787 20 10 GHCDHN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(OC)c3[O-])C2)n1 ZINC000922865295 860677926 /nfs/dbraw/zinc/67/79/26/860677926.db2.gz IWRZCRBZYRNFAC-GWCFXTLKSA-N 0 3 396.285 3.535 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000103593977 881588889 /nfs/dbraw/zinc/58/88/89/881588889.db2.gz ZZQAOLIPZKPZDI-UZLBHIALSA-N 0 3 383.492 3.598 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C[C@H]1CCCO1 ZINC000792765306 881654761 /nfs/dbraw/zinc/65/47/61/881654761.db2.gz GNMMQVZWHQAEOC-LJQANCHMSA-N 0 3 398.894 3.808 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C[C@H]1CCCO1 ZINC000792765306 881654770 /nfs/dbraw/zinc/65/47/70/881654770.db2.gz GNMMQVZWHQAEOC-LJQANCHMSA-N 0 3 398.894 3.808 20 10 GHCDHN CCOc1cncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000856770855 881734396 /nfs/dbraw/zinc/73/43/96/881734396.db2.gz PCEINPBOBFISQE-GOSISDBHSA-N 0 3 375.900 3.594 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000067505242 864871599 /nfs/dbraw/zinc/87/15/99/864871599.db2.gz DDAGSDKJVVMSSY-INIZCTEOSA-N 0 3 375.538 3.755 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000067505284 864871888 /nfs/dbraw/zinc/87/18/88/864871888.db2.gz UPRXAFFYBOTUGJ-KRWDZBQOSA-N 0 3 387.549 3.899 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[O-] ZINC000763726951 864882524 /nfs/dbraw/zinc/88/25/24/864882524.db2.gz AIKIWMADEZWMCO-BLLLJJGKSA-N 0 3 375.266 3.611 20 10 GHCDHN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000184961913 865088981 /nfs/dbraw/zinc/08/89/81/865088981.db2.gz IAUHALMHANBWRA-KRWDZBQOSA-N 0 3 388.533 3.513 20 10 GHCDHN COc1ccc([C@H](CCO)NCc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000793031433 881880973 /nfs/dbraw/zinc/88/09/73/881880973.db2.gz DVGASYAEURROSO-IBGZPJMESA-N 0 3 382.426 3.993 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000174373431 865742078 /nfs/dbraw/zinc/74/20/78/865742078.db2.gz SRPJYZUARWQCDD-INIZCTEOSA-N 0 3 388.483 3.799 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000174373431 865742082 /nfs/dbraw/zinc/74/20/82/865742082.db2.gz SRPJYZUARWQCDD-INIZCTEOSA-N 0 3 388.483 3.799 20 10 GHCDHN Fc1cccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CCOCC2)c1 ZINC000742389374 867254281 /nfs/dbraw/zinc/25/42/81/867254281.db2.gz ZJRBERYLQIDRHW-UHFFFAOYSA-N 0 3 388.458 3.597 20 10 GHCDHN CCOc1ccc(C[NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000793330152 882108933 /nfs/dbraw/zinc/10/89/33/882108933.db2.gz DRTYKCOZGDAHKO-UHFFFAOYSA-N 0 3 376.497 3.838 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H]4C[C@@H]4C)C[C@@H](C)C3)ccc21 ZINC000553782232 868191825 /nfs/dbraw/zinc/19/18/25/868191825.db2.gz AZDBJSNQOSJEKH-SAHWJRBASA-N 0 3 397.563 3.707 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H](CN1CCCC1)c1ccccc1 ZINC000743529438 868249031 /nfs/dbraw/zinc/24/90/31/868249031.db2.gz FKDVSIPWKVUWAJ-JOCHJYFZSA-N 0 3 393.531 3.907 20 10 GHCDHN CN(C)Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000174676302 870735696 /nfs/dbraw/zinc/73/56/96/870735696.db2.gz NOJSJLXLEIYCBP-HSZRJFAPSA-N 0 3 395.547 3.636 20 10 GHCDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000767931800 872965042 /nfs/dbraw/zinc/96/50/42/872965042.db2.gz QFLALIFTGAGMML-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000768013072 873025755 /nfs/dbraw/zinc/02/57/55/873025755.db2.gz MZOOTHVYCCAIGH-UHFFFAOYSA-N 0 3 399.560 3.636 20 10 GHCDHN COc1cccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000768160854 873121374 /nfs/dbraw/zinc/12/13/74/873121374.db2.gz AIJIUTGGJNNLGR-OAQYLSRUSA-N 0 3 393.487 3.972 20 10 GHCDHN COc1cccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000768160854 873121380 /nfs/dbraw/zinc/12/13/80/873121380.db2.gz AIJIUTGGJNNLGR-OAQYLSRUSA-N 0 3 393.487 3.972 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)[C@@H](O)CO2 ZINC000768439711 873305949 /nfs/dbraw/zinc/30/59/49/873305949.db2.gz MSPZGBFXZIAHRM-DJJJIMSYSA-N 0 3 377.843 3.818 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)[C@@H](O)CO2 ZINC000768439711 873305961 /nfs/dbraw/zinc/30/59/61/873305961.db2.gz MSPZGBFXZIAHRM-DJJJIMSYSA-N 0 3 377.843 3.818 20 10 GHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1Br)[C@H](O)CO2 ZINC000768464210 873328782 /nfs/dbraw/zinc/32/87/82/873328782.db2.gz OLYLVMFDQQCSPC-SJLPKXTDSA-N 0 3 390.277 3.918 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1[O-] ZINC000769536506 874142137 /nfs/dbraw/zinc/14/21/37/874142137.db2.gz AOFDDWDHFGVMPS-UHFFFAOYSA-N 0 3 379.298 3.861 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1[O-] ZINC000769536506 874142143 /nfs/dbraw/zinc/14/21/43/874142143.db2.gz AOFDDWDHFGVMPS-UHFFFAOYSA-N 0 3 379.298 3.861 20 10 GHCDHN Cc1cc2oc(=O)cc(CN(C)Cc3ccc(N4CCOCC4)cc3)c2cc1C ZINC000153140112 882802336 /nfs/dbraw/zinc/80/23/36/882802336.db2.gz QPFUTHNBKRWZBU-UHFFFAOYSA-N 0 3 392.499 3.878 20 10 GHCDHN C[C@@H](NCC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000775837068 874333222 /nfs/dbraw/zinc/33/32/22/874333222.db2.gz RDSKYFMEBDZURB-LJQANCHMSA-N 0 3 395.547 3.611 20 10 GHCDHN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771767851 875474995 /nfs/dbraw/zinc/47/49/95/875474995.db2.gz WYIKXVXYGZJCCC-HXUWFJFHSA-N 0 3 398.526 3.698 20 10 GHCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000771866529 875504465 /nfs/dbraw/zinc/50/44/65/875504465.db2.gz DSMZTXMRSSILBC-CQSZACIVSA-N 0 3 378.266 3.835 20 10 GHCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000771866529 875504468 /nfs/dbraw/zinc/50/44/68/875504468.db2.gz DSMZTXMRSSILBC-CQSZACIVSA-N 0 3 378.266 3.835 20 10 GHCDHN CC(C)(C)c1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000776173940 875691541 /nfs/dbraw/zinc/69/15/41/875691541.db2.gz DWAKHFFLUBCBRE-UHFFFAOYSA-N 0 3 392.590 3.570 20 10 GHCDHN Cc1ncc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 ZINC001201749867 875840648 /nfs/dbraw/zinc/84/06/48/875840648.db2.gz BNGJPOVNEKEDNS-SFHVURJKSA-N 0 3 390.553 3.873 20 10 GHCDHN C[C@@H](NC(=O)N(CCc1ccccc1)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000776242657 876007520 /nfs/dbraw/zinc/00/75/20/876007520.db2.gz AAANBCCPEAAEPW-LJQANCHMSA-N 0 3 382.552 3.630 20 10 GHCDHN Oc1cc2c(cc1CN[C@H]1CSc3ccc(Br)cc31)OCO2 ZINC000785576033 876137637 /nfs/dbraw/zinc/13/76/37/876137637.db2.gz IOHOXTPGALPWEU-LBPRGKRZSA-N 0 3 380.263 3.820 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3ccc(OC)cc3OC(F)F)C2)cc1 ZINC000850346096 876837352 /nfs/dbraw/zinc/83/73/52/876837352.db2.gz CBJJGTKZQHKFET-OAHLLOKOSA-N 0 3 378.419 3.674 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1[O-] ZINC000850416525 876897522 /nfs/dbraw/zinc/89/75/22/876897522.db2.gz LBBNETQHGWMOEI-KRWDZBQOSA-N 0 3 391.309 3.527 20 10 GHCDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000850503814 876977731 /nfs/dbraw/zinc/97/77/31/876977731.db2.gz YZHQIYYMYXHBJX-YOKBYHGQSA-N 0 3 386.330 3.680 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1[O-] ZINC000850582892 877056494 /nfs/dbraw/zinc/05/64/94/877056494.db2.gz HFFMSBFROWYFTM-XWCIJXRUSA-N 0 3 380.282 3.936 20 10 GHCDHN CCOC[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000530107868 877108776 /nfs/dbraw/zinc/10/87/76/877108776.db2.gz URMXCHDGPJHLGB-HNNXBMFYSA-N 0 3 380.282 3.545 20 10 GHCDHN O=C(c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000109762010 877424368 /nfs/dbraw/zinc/42/43/68/877424368.db2.gz WMQWFLDHMKHFJV-QFIPXVFZSA-N 0 3 394.515 3.809 20 10 GHCDHN O=C(c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000109762010 877424377 /nfs/dbraw/zinc/42/43/77/877424377.db2.gz WMQWFLDHMKHFJV-QFIPXVFZSA-N 0 3 394.515 3.809 20 10 GHCDHN O=C1Nc2ccccc2S[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841465 877937411 /nfs/dbraw/zinc/93/74/11/877937411.db2.gz SKCQHYANRATPIH-LAUBAEHRSA-N 0 3 398.528 3.876 20 10 GHCDHN O=C1Nc2ccccc2S[C@@H]1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841465 877937417 /nfs/dbraw/zinc/93/74/17/877937417.db2.gz SKCQHYANRATPIH-LAUBAEHRSA-N 0 3 398.528 3.876 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000068706491 878879753 /nfs/dbraw/zinc/87/97/53/878879753.db2.gz ALLXGQLAUHGVOG-GOSISDBHSA-N 0 3 379.504 3.501 20 10 GHCDHN C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373222 879078055 /nfs/dbraw/zinc/07/80/55/879078055.db2.gz YBHWKWPSPWAGQL-UZLBHIALSA-N 0 3 399.922 3.633 20 10 GHCDHN CC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000180917679 879497077 /nfs/dbraw/zinc/49/70/77/879497077.db2.gz AAXOZIVNUSTYAN-VXKWHMMOSA-N 0 3 381.520 3.603 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180922092 879498262 /nfs/dbraw/zinc/49/82/62/879498262.db2.gz SQQCMFZAKDLPPM-VGOFRKELSA-N 0 3 381.520 3.603 20 10 GHCDHN O=C1[C@@H](N(Cc2ccccc2O)C[C@H]2CCCO2)CCCN1Cc1ccccc1 ZINC000790313731 879590677 /nfs/dbraw/zinc/59/06/77/879590677.db2.gz BVXYVZQBRKGSGC-YADHBBJMSA-N 0 3 394.515 3.564 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000181179557 880062252 /nfs/dbraw/zinc/06/22/52/880062252.db2.gz IQEGQZASJPDDHG-NQIIRXRSSA-N 0 3 395.551 3.647 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC4CC4)cc3OC)c2)CC1 ZINC000790902832 880079297 /nfs/dbraw/zinc/07/92/97/880079297.db2.gz XOFZMOQCLWILFY-UHFFFAOYSA-N 0 3 395.503 3.631 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000103597060 883286903 /nfs/dbraw/zinc/28/69/03/883286903.db2.gz QPPPBHZXMYCLCU-PBHICJAKSA-N 0 3 389.521 3.660 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000859756862 884038624 /nfs/dbraw/zinc/03/86/24/884038624.db2.gz VHNMQTXYOUXQNL-UHFFFAOYSA-N 0 3 382.508 3.677 20 10 GHCDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000806433260 884669941 /nfs/dbraw/zinc/66/99/41/884669941.db2.gz IEDCWXJVESDPMW-XLIONFOSSA-N 0 3 384.524 3.808 20 10 GHCDHN Cc1cc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000807704252 885614425 /nfs/dbraw/zinc/61/44/25/885614425.db2.gz WXNSDQGRXMGWNI-HXUWFJFHSA-N 0 3 380.467 3.661 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000807738559 885669681 /nfs/dbraw/zinc/66/96/81/885669681.db2.gz FJEFSYJXFKOLFM-DENIHFKCSA-N 0 3 388.515 3.882 20 10 GHCDHN CC[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1O ZINC000155051374 886120936 /nfs/dbraw/zinc/12/09/36/886120936.db2.gz NQDCYFITIMJALO-LJQANCHMSA-N 0 3 388.533 3.808 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1[O-] ZINC000155051374 886120940 /nfs/dbraw/zinc/12/09/40/886120940.db2.gz NQDCYFITIMJALO-LJQANCHMSA-N 0 3 388.533 3.808 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000862545665 886459844 /nfs/dbraw/zinc/45/98/44/886459844.db2.gz AILGQSASQCRZNJ-LJQANCHMSA-N 0 3 390.524 3.630 20 10 GHCDHN C[C@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000808730514 886744157 /nfs/dbraw/zinc/74/41/57/886744157.db2.gz XAJAHBMLQSJQJF-WMLDXEAASA-N 0 3 390.886 3.970 20 10 GHCDHN O=C1CCCN1[C@@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809572691 887551628 /nfs/dbraw/zinc/55/16/28/887551628.db2.gz RPHMISKRIMQEED-HSZRJFAPSA-N 0 3 389.543 3.836 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000809704385 887722459 /nfs/dbraw/zinc/72/24/59/887722459.db2.gz BLAYWYODZPITLE-AWEZNQCLSA-N 0 3 382.220 3.742 20 10 GHCDHN COc1cccc(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)c1O ZINC000809739639 887773388 /nfs/dbraw/zinc/77/33/88/887773388.db2.gz AHEZUBQEWFFNJY-QGZVFWFLSA-N 0 3 377.868 3.902 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(OC)c1OC ZINC000866391234 888855210 /nfs/dbraw/zinc/85/52/10/888855210.db2.gz CPKNHIUPKGXLLO-NRFANRHFSA-N 0 3 384.520 3.906 20 10 GHCDHN C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000287499826 913376902 /nfs/dbraw/zinc/37/69/02/913376902.db2.gz YIQOQSPSBATNEM-SJORKVTESA-N 0 3 382.504 3.932 20 10 GHCDHN COc1ccc(CNCc2ccc(NC(=O)C(C)C)cc2)cc1Cn1cccn1 ZINC000873009730 891425246 /nfs/dbraw/zinc/42/52/46/891425246.db2.gz SXVUPARAOIFKFR-UHFFFAOYSA-N 0 3 392.503 3.824 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC000814177099 892334399 /nfs/dbraw/zinc/33/43/99/892334399.db2.gz XRGIPOUDXQEGPA-FUHWJXTLSA-N 0 3 377.504 3.723 20 10 GHCDHN C[C@H](SCc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681638 893217524 /nfs/dbraw/zinc/21/75/24/893217524.db2.gz BYSSNONNKBHLHU-UWJYYQICSA-N 0 3 385.577 3.793 20 10 GHCDHN COc1ccccc1[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882623 893506432 /nfs/dbraw/zinc/50/64/32/893506432.db2.gz SATUSVYQTRCJQV-UTKZUKDTSA-N 0 3 383.536 3.674 20 10 GHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000877179150 893523602 /nfs/dbraw/zinc/52/36/02/893523602.db2.gz MAOIKSRGWZDHJF-SFHVURJKSA-N 0 3 382.508 3.932 20 10 GHCDHN Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000877179150 893523619 /nfs/dbraw/zinc/52/36/19/893523619.db2.gz MAOIKSRGWZDHJF-SFHVURJKSA-N 0 3 382.508 3.932 20 10 GHCDHN NC(=O)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccccc1 ZINC000816653307 894995880 /nfs/dbraw/zinc/99/58/80/894995880.db2.gz NJIXQHRIJCEZST-NRFANRHFSA-N 0 3 376.456 3.678 20 10 GHCDHN COC1CCN(c2ccc(CN3Cc4cccnc4N4CCC[C@H]4C3)cc2)CC1 ZINC000879692591 895237682 /nfs/dbraw/zinc/23/76/82/895237682.db2.gz XJPSAWFRTIJQKE-QFIPXVFZSA-N 0 3 392.547 3.681 20 10 GHCDHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000817286224 895437350 /nfs/dbraw/zinc/43/73/50/895437350.db2.gz DQRZBEZVGCTGSY-UHFFFAOYSA-N 0 3 392.471 3.709 20 10 GHCDHN C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941061 895970049 /nfs/dbraw/zinc/97/00/49/895970049.db2.gz IKVKNVORLZIUGO-SJCJKPOMSA-N 0 3 378.314 3.571 20 10 GHCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc(Br)s1 ZINC000883290032 897454769 /nfs/dbraw/zinc/45/47/69/897454769.db2.gz IRSLXXQOZREMDQ-ZDUSSCGKSA-N 0 3 395.370 3.508 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OC)c(F)c3)cc2F)CC1 ZINC000155270902 898549734 /nfs/dbraw/zinc/54/97/34/898549734.db2.gz GCBNUNFXPQXZCQ-INIZCTEOSA-N 0 3 389.490 3.966 20 10 GHCDHN COC[C@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000824507246 899674384 /nfs/dbraw/zinc/67/43/84/899674384.db2.gz FVFYVRLLRKHEFX-PGRDOPGGSA-N 0 3 385.504 3.987 20 10 GHCDHN COC[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000824507246 899674394 /nfs/dbraw/zinc/67/43/94/899674394.db2.gz FVFYVRLLRKHEFX-PGRDOPGGSA-N 0 3 385.504 3.987 20 10 GHCDHN COC(=O)c1oc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C ZINC000825190034 900036081 /nfs/dbraw/zinc/03/60/81/900036081.db2.gz CQZHOAAGIKLOAU-UHFFFAOYSA-N 0 3 394.418 3.735 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c1[O-] ZINC000846039263 902624289 /nfs/dbraw/zinc/62/42/89/902624289.db2.gz QBVIJWLAEYVWHR-XIKOKIGWSA-N 0 3 380.282 3.549 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000779025223 903137293 /nfs/dbraw/zinc/13/72/93/903137293.db2.gz RVIZECGVCOETNX-CYBMUJFWSA-N 0 3 376.294 3.644 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000779025224 903137388 /nfs/dbraw/zinc/13/73/88/903137388.db2.gz RVIZECGVCOETNX-ZDUSSCGKSA-N 0 3 376.294 3.644 20 10 GHCDHN COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779053576 903565846 /nfs/dbraw/zinc/56/58/46/903565846.db2.gz FWIMFXXIWUAAQP-CHWSQXEVSA-N 0 3 399.329 3.981 20 10 GHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000779065844 903787476 /nfs/dbraw/zinc/78/74/76/903787476.db2.gz QSTFIARFTVJGEZ-LJQANCHMSA-N 0 3 386.467 3.773 20 10 GHCDHN CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779081424 904002992 /nfs/dbraw/zinc/00/29/92/904002992.db2.gz WHJUXABUCUIJSG-NRFANRHFSA-N 0 3 378.447 3.895 20 10 GHCDHN Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000151533794 904150356 /nfs/dbraw/zinc/15/03/56/904150356.db2.gz QVUAFQYCOZBDHY-OAHLLOKOSA-N 0 3 387.455 3.854 20 10 GHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCCO2 ZINC000151560809 904156117 /nfs/dbraw/zinc/15/61/17/904156117.db2.gz JMQFTSIKOJSHFM-QHCPKHFHSA-N 0 3 396.531 3.907 20 10 GHCDHN COc1cc(O)c(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1OC ZINC000160041665 904592457 /nfs/dbraw/zinc/59/24/57/904592457.db2.gz KMKQUCZYHXMQCK-SFHVURJKSA-N 0 3 375.440 3.730 20 10 GHCDHN COc1ccc(NC(=O)C2([NH2+]Cc3cc(F)ccc3[O-])CCCC2)cc1OC ZINC000779179880 905144616 /nfs/dbraw/zinc/14/46/16/905144616.db2.gz ZEALRNLHLUNRIV-UHFFFAOYSA-N 0 3 388.439 3.590 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192681041 908815180 /nfs/dbraw/zinc/81/51/80/908815180.db2.gz CHZLEDQRMKYNRP-CYBMUJFWSA-N 0 3 395.334 3.697 20 10 GHCDHN COc1ccc(CNCc2ccccc2-n2ccc(C)n2)cc1Cn1cccn1 ZINC001178157417 908914372 /nfs/dbraw/zinc/91/43/72/908914372.db2.gz ZOVZUAFTBIBNNV-UHFFFAOYSA-N 0 3 387.487 3.724 20 10 GHCDHN CN(C)c1ccc(/C=C\CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC001178917068 909313724 /nfs/dbraw/zinc/31/37/24/909313724.db2.gz SRAJUUCDPKTZOA-ARJAWSKDSA-N 0 3 387.474 3.670 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000269448808 910272094 /nfs/dbraw/zinc/27/20/94/910272094.db2.gz OYQXGZJAEMVNAL-OAHLLOKOSA-N 0 3 399.491 3.598 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)cc1 ZINC001182414900 911628275 /nfs/dbraw/zinc/62/82/75/911628275.db2.gz YTZXUWTXICVKTO-QFIPXVFZSA-N 0 3 383.536 3.897 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000774480454 911785613 /nfs/dbraw/zinc/78/56/13/911785613.db2.gz CCUICWAASRQUBP-CHWSQXEVSA-N 0 3 390.871 3.992 20 10 GHCDHN CN1C[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])[C@H](c2ccccc2)C1 ZINC001182544586 911865222 /nfs/dbraw/zinc/86/52/22/911865222.db2.gz QWEQZGNVDMIDHX-AEFFLSMTSA-N 0 3 375.310 3.590 20 10 GHCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293483950 916227222 /nfs/dbraw/zinc/22/72/22/916227222.db2.gz GCGAMFUATWDQQH-UHFFFAOYSA-N 0 3 386.565 3.531 20 10 GHCDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000775253390 916645935 /nfs/dbraw/zinc/64/59/35/916645935.db2.gz BYHFPTABMPQABM-INIZCTEOSA-N 0 3 387.911 3.774 20 10 GHCDHN CSc1ccc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775259052 916687763 /nfs/dbraw/zinc/68/77/63/916687763.db2.gz NFEHTTLIMLGUTJ-MRXNPFEDSA-N 0 3 385.533 3.534 20 10 GHCDHN CN(C)C[C@@H]1COCCN1C(=O)c1cccc(N=Nc2ccc(N(C)C)cc2)c1 ZINC001190976614 917679476 /nfs/dbraw/zinc/67/94/76/917679476.db2.gz JHFPAEIEEXCLPL-OAQYLSRUSA-N 0 3 395.507 3.571 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(Cl)cn3)cc2F)CC1 ZINC000775501173 918393455 /nfs/dbraw/zinc/39/34/55/918393455.db2.gz CGFJYZKBQPGWKU-HNNXBMFYSA-N 0 3 376.907 3.867 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(N3CCC(OC)CC3)cc2)cc1OC ZINC000827353748 925329754 /nfs/dbraw/zinc/32/97/54/925329754.db2.gz ILWPPYBTTYZLEU-UHFFFAOYSA-N 0 3 384.520 3.951 20 10 GHCDHN COC1CCN(c2ccc(CN(C)C[C@H]3COc4ccccc4O3)cc2)CC1 ZINC000827373867 925377953 /nfs/dbraw/zinc/37/79/53/925377953.db2.gz OJXWOBXPDZCDSB-NRFANRHFSA-N 0 3 382.504 3.574 20 10 GHCDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000753545254 929402920 /nfs/dbraw/zinc/40/29/20/929402920.db2.gz CSJUJIOEJWOKRE-FQEVSTJZSA-N 0 3 381.472 3.746 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000753570423 929425001 /nfs/dbraw/zinc/42/50/01/929425001.db2.gz KWNROCWZSGMTCI-OAQYLSRUSA-N 0 3 381.447 3.804 20 10 GHCDHN C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000753944201 929606853 /nfs/dbraw/zinc/60/68/53/929606853.db2.gz WXPZMGMQOPHROV-HKUYNNGSSA-N 0 3 396.535 3.683 20 10 GHCDHN CN1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)[C@@H]1c1ccccc1 ZINC000758968581 930231886 /nfs/dbraw/zinc/23/18/86/930231886.db2.gz YIOOTRFZDQKUFQ-IRLDBZIGSA-N 0 3 379.504 3.516 20 10 GHCDHN C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000783506756 931567162 /nfs/dbraw/zinc/56/71/62/931567162.db2.gz WFJCSDTUMPRSDC-ZDUSSCGKSA-N 0 3 377.282 3.625 20 10 GHCDHN COC[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H](C)O1 ZINC000783969837 931734574 /nfs/dbraw/zinc/73/45/74/931734574.db2.gz YBFGSZKHSPQAAY-IUODEOHRSA-N 0 3 380.282 3.544 20 10 GHCDHN COC[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H](C)O1 ZINC000783969837 931734576 /nfs/dbraw/zinc/73/45/76/931734576.db2.gz YBFGSZKHSPQAAY-IUODEOHRSA-N 0 3 380.282 3.544 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(C(F)(F)F)c3)C1)[C@@H](O)CO2 ZINC000784027908 931760789 /nfs/dbraw/zinc/76/07/89/931760789.db2.gz VTDZPBORECBZQX-UGSOOPFHSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(C(F)(F)F)c3)C1)[C@@H](O)CO2 ZINC000784027908 931760794 /nfs/dbraw/zinc/76/07/94/931760794.db2.gz VTDZPBORECBZQX-UGSOOPFHSA-N 0 3 379.378 3.826 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2Cl)C1 ZINC000799981031 933199993 /nfs/dbraw/zinc/19/99/93/933199993.db2.gz TYGOXLAPYPAFOR-OXQOHEQNSA-N 0 3 385.939 3.763 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(Nc4ccccc4)CC3)cc2F)CC1 ZINC001116439867 933558468 /nfs/dbraw/zinc/55/84/68/933558468.db2.gz BPTSLEOOPCTQPY-UHFFFAOYSA-N 0 3 382.527 3.654 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cncc(C(F)F)c2)N(C)C)cc1 ZINC000932234648 934856278 /nfs/dbraw/zinc/85/62/78/934856278.db2.gz ZOLLEGBEYBOQPZ-QGZVFWFLSA-N 0 3 377.439 3.510 20 10 GHCDHN Cc1ccc(CCCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001221022023 1032240497 /nfs/dbraw/zinc/24/04/97/1032240497.db2.gz UPIKFLDGISMOHP-QHCPKHFHSA-N 0 3 396.579 3.904 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)N(C)C)cc1 ZINC001221082893 1032274937 /nfs/dbraw/zinc/27/49/37/1032274937.db2.gz GYCSISKKUAJTTP-QHCPKHFHSA-N 0 3 394.563 3.734 20 10 GHCDHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1[O-] ZINC000933072769 1018831227 /nfs/dbraw/zinc/83/12/27/1018831227.db2.gz JIILUTZXWCBCEK-LJQANCHMSA-N 0 3 385.435 3.585 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(C)cc1[O-] ZINC000834904162 1021656685 /nfs/dbraw/zinc/65/66/85/1021656685.db2.gz NLMJPLVABRGAPU-SJLPKXTDSA-N 0 3 378.513 3.767 20 10 GHCDHN COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834905844 1021658914 /nfs/dbraw/zinc/65/89/14/1021658914.db2.gz VCWLJQMWGWSYTA-UONOGXRCSA-N 0 3 394.309 3.665 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)CC2 ZINC000834913463 1021675933 /nfs/dbraw/zinc/67/59/33/1021675933.db2.gz PTWDVZXLPKKODW-OKZBNKHCSA-N 0 3 376.422 3.999 20 10 GHCDHN Cc1ccc(O)c(CN2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001140621583 1022094936 /nfs/dbraw/zinc/09/49/36/1022094936.db2.gz LPYWOVZTGJXZOW-JTHBVZDNSA-N 0 3 382.504 3.684 20 10 GHCDHN CCN(CC)c1ccc(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001140855633 1022711222 /nfs/dbraw/zinc/71/12/22/1022711222.db2.gz GLUJHCYMCJAEGY-UHFFFAOYSA-N 0 3 389.540 3.728 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(c3ccc(OC)cc3OC)CC2)c(O)c1 ZINC001140856460 1022712415 /nfs/dbraw/zinc/71/24/15/1022712415.db2.gz CCHZHXMIJRWCEC-UHFFFAOYSA-N 0 3 399.535 3.578 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1 ZINC001140857582 1022715619 /nfs/dbraw/zinc/71/56/19/1022715619.db2.gz RRIRZHOQSNTZBY-GOSISDBHSA-N 0 3 399.510 3.772 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4[nH]cc(C)c4C)C3)C2)cc1 ZINC001140860001 1022721557 /nfs/dbraw/zinc/72/15/57/1022721557.db2.gz HJUIRCKPFWMRRC-QHCPKHFHSA-N 0 3 383.536 3.759 20 10 GHCDHN COCCC[N@H+](Cc1ccc(C)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140954008 1022988175 /nfs/dbraw/zinc/98/81/75/1022988175.db2.gz IRSROSYQKWZITO-SFHVURJKSA-N 0 3 378.513 3.549 20 10 GHCDHN COCCC[N@@H+](Cc1ccc(C)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140954008 1022988178 /nfs/dbraw/zinc/98/81/78/1022988178.db2.gz IRSROSYQKWZITO-SFHVURJKSA-N 0 3 378.513 3.549 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141030897 1023295587 /nfs/dbraw/zinc/29/55/87/1023295587.db2.gz PRESVXGGXROUIR-NRFANRHFSA-N 0 3 394.512 3.631 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141030897 1023295590 /nfs/dbraw/zinc/29/55/90/1023295590.db2.gz PRESVXGGXROUIR-NRFANRHFSA-N 0 3 394.512 3.631 20 10 GHCDHN CCN(CC[NH2+]Cc1cc(Br)cc(C)c1[O-])CCC(F)(F)F ZINC000756129721 1023531514 /nfs/dbraw/zinc/53/15/14/1023531514.db2.gz PYIKNYSXEZIWRJ-UHFFFAOYSA-N 0 3 383.252 3.827 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756476297 1023674326 /nfs/dbraw/zinc/67/43/26/1023674326.db2.gz RXYCBMJOKXDERU-MDASCCDHSA-N 0 3 388.458 3.882 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000756509751 1023691368 /nfs/dbraw/zinc/69/13/68/1023691368.db2.gz DYNCLYFIANESQZ-LZQZEXGQSA-N 0 3 382.479 3.903 20 10 GHCDHN COc1ccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c(OC)c1OC ZINC000756534924 1023702735 /nfs/dbraw/zinc/70/27/35/1023702735.db2.gz MCFCLJVVIAYWPS-SWLSCSKDSA-N 0 3 375.440 3.938 20 10 GHCDHN COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1=O ZINC000756901382 1023852711 /nfs/dbraw/zinc/85/27/11/1023852711.db2.gz KTFODQFWXSFLAY-HXUWFJFHSA-N 0 3 388.467 3.963 20 10 GHCDHN COc1cc(C)ccc1OC1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144222 1023962322 /nfs/dbraw/zinc/96/23/22/1023962322.db2.gz FFHFOUWGUQPIBX-UHFFFAOYSA-N 0 3 382.504 3.876 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@]3(C[C@H](CCOC)CO3)C2)c(OC)c1 ZINC001138387684 1024760814 /nfs/dbraw/zinc/76/08/14/1024760814.db2.gz MEQKPIQISNUBAA-CVDCTZTESA-N 0 3 390.568 3.949 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Cl)c(N)c3Cl)c2)CC1 ZINC001138500656 1024933792 /nfs/dbraw/zinc/93/37/92/1024933792.db2.gz MZJIVVLAZSNHBP-UHFFFAOYSA-N 0 3 393.318 3.970 20 10 GHCDHN Cc1ccc2ncc(CNCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)n2c1 ZINC001461066632 1069373047 /nfs/dbraw/zinc/37/30/47/1069373047.db2.gz JUCFYCFBDSJIPC-IRXDYDNUSA-N 0 3 382.483 3.685 20 10 GHCDHN Cc1cc(CN2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)ccc1N(C)C ZINC001139674498 1026528675 /nfs/dbraw/zinc/52/86/75/1026528675.db2.gz SZNPHPJBVHCAFC-GOSISDBHSA-N 0 3 381.495 3.821 20 10 GHCDHN COc1ccc2c(c1)c1c(n2C)CCN(c2ccc(CN3CCCC3)cn2)C1 ZINC001165093357 1026602410 /nfs/dbraw/zinc/60/24/10/1026602410.db2.gz GSTIRCBRXMIVGM-UHFFFAOYSA-N 0 3 376.504 3.740 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140055682 1026835531 /nfs/dbraw/zinc/83/55/31/1026835531.db2.gz PGQRAANGQRLHCS-YADHBBJMSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140055682 1026835540 /nfs/dbraw/zinc/83/55/40/1026835540.db2.gz PGQRAANGQRLHCS-YADHBBJMSA-N 0 3 386.467 3.514 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062683 1026842809 /nfs/dbraw/zinc/84/28/09/1026842809.db2.gz DEXPEITUCONRQC-YLJYHZDGSA-N 0 3 382.451 3.702 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062683 1026842813 /nfs/dbraw/zinc/84/28/13/1026842813.db2.gz DEXPEITUCONRQC-YLJYHZDGSA-N 0 3 382.451 3.702 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)c1O ZINC001140180446 1026953229 /nfs/dbraw/zinc/95/32/29/1026953229.db2.gz WUURIVFWSFDPIY-UNWVZKJWSA-N 0 3 382.504 3.600 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccccc4OC)C3)C2)cc1 ZINC001203428537 1027331924 /nfs/dbraw/zinc/33/19/24/1027331924.db2.gz SABSOTDQUMCJFB-XMMPIXPASA-N 0 3 396.531 3.823 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)c([O-])c1 ZINC001203629443 1027489988 /nfs/dbraw/zinc/48/99/88/1027489988.db2.gz KQHNRHYLMAEONE-RBBKRZOGSA-N 0 3 375.509 3.731 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)c([O-])c1 ZINC001203629443 1027489999 /nfs/dbraw/zinc/48/99/99/1027489999.db2.gz KQHNRHYLMAEONE-RBBKRZOGSA-N 0 3 375.509 3.731 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001203645544 1027503677 /nfs/dbraw/zinc/50/36/77/1027503677.db2.gz MDNPELQFFADTPZ-QFBILLFUSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001203645544 1027503686 /nfs/dbraw/zinc/50/36/86/1027503686.db2.gz MDNPELQFFADTPZ-QFBILLFUSA-N 0 3 387.321 3.861 20 10 GHCDHN COc1cccc2c1CCC[C@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840759808 1027800837 /nfs/dbraw/zinc/80/08/37/1027800837.db2.gz NRPVBHNXRGSALN-HXUWFJFHSA-N 0 3 388.458 3.977 20 10 GHCDHN COc1cc(Br)cc(CN2CC3(CCOCC3)[C@@H]2C(C)C)c1O ZINC000840968969 1028004109 /nfs/dbraw/zinc/00/41/09/1028004109.db2.gz FWNXFHKFTPEQHE-KRWDZBQOSA-N 0 3 384.314 3.800 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC000841327503 1028434235 /nfs/dbraw/zinc/43/42/35/1028434235.db2.gz NSNIMFGPXPEEMA-UHFFFAOYSA-N 0 3 382.508 3.679 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N(C)C)cc1 ZINC001223474828 1030590240 /nfs/dbraw/zinc/59/02/40/1030590240.db2.gz LMFFXUICGURFGK-JOCHJYFZSA-N 0 3 395.547 3.936 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3C(=O)CC4)c2)CC1 ZINC001153552769 1031644922 /nfs/dbraw/zinc/64/49/22/1031644922.db2.gz LOTNBHWVJVGHNQ-UHFFFAOYSA-N 0 3 377.488 3.598 20 10 GHCDHN CN[C@@H](COCc1ccccc1)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157435034 1033587463 /nfs/dbraw/zinc/58/74/63/1033587463.db2.gz QZKKLBXRFMWRDU-UGKGYDQZSA-N 0 3 396.531 3.553 20 10 GHCDHN CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469221 1034614581 /nfs/dbraw/zinc/61/45/81/1034614581.db2.gz UHMYMGAKMIALMH-XMMPIXPASA-N 0 3 394.515 3.948 20 10 GHCDHN CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469221 1034614589 /nfs/dbraw/zinc/61/45/89/1034614589.db2.gz UHMYMGAKMIALMH-XMMPIXPASA-N 0 3 394.515 3.948 20 10 GHCDHN Cc1cc(C)c(CN2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c(O)c1 ZINC001231845898 1034939794 /nfs/dbraw/zinc/93/97/94/1034939794.db2.gz UALPBRPKFGZBQP-QHCPKHFHSA-N 0 3 393.487 3.759 20 10 GHCDHN Cc1cc(O)c(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)cc1Cl ZINC001231866037 1034952867 /nfs/dbraw/zinc/95/28/67/1034952867.db2.gz BTILHFIBYOXTOE-OAHLLOKOSA-N 0 3 376.932 3.968 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)ccc2ccccc21 ZINC001231879047 1034962813 /nfs/dbraw/zinc/96/28/13/1034962813.db2.gz TXTNXUYRROBAEB-WPFOTENUSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)ccc2ccccc21 ZINC001231879047 1034962820 /nfs/dbraw/zinc/96/28/20/1034962820.db2.gz TXTNXUYRROBAEB-WPFOTENUSA-N 0 3 390.483 3.889 20 10 GHCDHN Cc1nc2[nH]ccc2c(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160616814 1035016650 /nfs/dbraw/zinc/01/66/50/1035016650.db2.gz UWYWIZNRPSIXDU-RTBURBONSA-N 0 3 375.432 3.531 20 10 GHCDHN C[NH+](C)CCN(Cc1cccc(F)c1)Cc1c([O-])cccc1Br ZINC001462190784 1070069465 /nfs/dbraw/zinc/06/94/65/1070069465.db2.gz HHQLVXGMLACEKS-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1[O-] ZINC001233105862 1038893544 /nfs/dbraw/zinc/89/35/44/1038893544.db2.gz BMDNRTWPJRSNSP-IAQYHMDHSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1[O-] ZINC001233105862 1038893582 /nfs/dbraw/zinc/89/35/82/1038893582.db2.gz BMDNRTWPJRSNSP-IAQYHMDHSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001233105862 1038893611 /nfs/dbraw/zinc/89/36/11/1038893611.db2.gz BMDNRTWPJRSNSP-IAQYHMDHSA-N 0 3 396.247 3.988 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001233193785 1038960441 /nfs/dbraw/zinc/96/04/41/1038960441.db2.gz FCLIWUWWAZTEIW-GFCCVEGCSA-N 0 3 386.236 3.757 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001233193785 1038960446 /nfs/dbraw/zinc/96/04/46/1038960446.db2.gz FCLIWUWWAZTEIW-GFCCVEGCSA-N 0 3 386.236 3.757 20 10 GHCDHN COC1C[C@@H]2COC[C@H](C1)N2Cc1c(O)ccc2cc(Br)ccc21 ZINC001233198200 1038963697 /nfs/dbraw/zinc/96/36/97/1038963697.db2.gz ZGCXOLTVEQVBNX-XYPWUTKMSA-N 0 3 392.293 3.686 20 10 GHCDHN COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233198200 1038963704 /nfs/dbraw/zinc/96/37/04/1038963704.db2.gz ZGCXOLTVEQVBNX-XYPWUTKMSA-N 0 3 392.293 3.686 20 10 GHCDHN COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233198200 1038963707 /nfs/dbraw/zinc/96/37/07/1038963707.db2.gz ZGCXOLTVEQVBNX-XYPWUTKMSA-N 0 3 392.293 3.686 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1[O-] ZINC001233290021 1039074782 /nfs/dbraw/zinc/07/47/82/1039074782.db2.gz DAIFEBINVINHPE-ZFWWWQNUSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1[O-] ZINC001233290021 1039074795 /nfs/dbraw/zinc/07/47/95/1039074795.db2.gz DAIFEBINVINHPE-ZFWWWQNUSA-N 0 3 396.915 3.743 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)cccc1OC(F)(F)F ZINC001233727264 1039569498 /nfs/dbraw/zinc/56/94/98/1039569498.db2.gz LHYVPODRQMZQTK-UHFFFAOYSA-N 0 3 385.361 3.537 20 10 GHCDHN [O-]c1c(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)cccc1OC(F)(F)F ZINC001233727264 1039569517 /nfs/dbraw/zinc/56/95/17/1039569517.db2.gz LHYVPODRQMZQTK-UHFFFAOYSA-N 0 3 385.361 3.537 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cccc1OC(F)(F)F ZINC001233745876 1039585701 /nfs/dbraw/zinc/58/57/01/1039585701.db2.gz QWDGAYKTVOKOCH-UHFFFAOYSA-N 0 3 379.382 3.559 20 10 GHCDHN [O-]c1c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)cccc1OC(F)(F)F ZINC001233745876 1039585719 /nfs/dbraw/zinc/58/57/19/1039585719.db2.gz QWDGAYKTVOKOCH-UHFFFAOYSA-N 0 3 379.382 3.559 20 10 GHCDHN Oc1c(CN2CCN3CCc4ccccc4[C@@H]3C2)cccc1OC(F)(F)F ZINC001233768322 1039602243 /nfs/dbraw/zinc/60/22/43/1039602243.db2.gz PCUDFFMIQZHOFF-KRWDZBQOSA-N 0 3 378.394 3.706 20 10 GHCDHN CC(C)N1CCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)C1=O ZINC001233776805 1039607265 /nfs/dbraw/zinc/60/72/65/1039607265.db2.gz YOENQBYIKGFHHI-UHFFFAOYSA-N 0 3 386.414 3.514 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c2c1 ZINC001234535769 1040108160 /nfs/dbraw/zinc/10/81/60/1040108160.db2.gz GQEXBVUMQSXMDU-DEOSSOPVSA-N 0 3 394.515 3.779 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c2c1 ZINC001234535769 1040108166 /nfs/dbraw/zinc/10/81/66/1040108166.db2.gz GQEXBVUMQSXMDU-DEOSSOPVSA-N 0 3 394.515 3.779 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+]([C@@H]1CCCOC1)C[C@H]2c1ccc(O)cc1 ZINC001254385513 1040205112 /nfs/dbraw/zinc/20/51/12/1040205112.db2.gz GQPAOSQZPHUYLX-KDOFPFPSSA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+]([C@@H]1CCCOC1)C[C@H]2c1ccc(O)cc1 ZINC001254385513 1040205116 /nfs/dbraw/zinc/20/51/16/1040205116.db2.gz GQPAOSQZPHUYLX-KDOFPFPSSA-N 0 3 389.879 3.626 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+]Cc3ccc(O)cc3[O-])C2)CC1 ZINC001254738484 1040495623 /nfs/dbraw/zinc/49/56/23/1040495623.db2.gz QFVRUECNSRYIDV-MRXNPFEDSA-N 0 3 376.497 3.757 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccc(N)c(F)c4)C3)C2)cc1 ZINC001235492779 1040959846 /nfs/dbraw/zinc/95/98/46/1040959846.db2.gz IESCAYHCWVTVIX-QHCPKHFHSA-N 0 3 399.510 3.536 20 10 GHCDHN CN(C)c1ccc(CN2CCCn3cnc(CNC4CCC4)c3C2)c(Cl)c1 ZINC001235559407 1040987959 /nfs/dbraw/zinc/98/79/59/1040987959.db2.gz ZRYRLDPRQZZJKD-UHFFFAOYSA-N 0 3 387.959 3.651 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)c([O-])c1 ZINC001235678753 1041140590 /nfs/dbraw/zinc/14/05/90/1041140590.db2.gz JOISAOVUYWLAGE-FQEVSTJZSA-N 0 3 393.531 3.723 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001235679924 1041141499 /nfs/dbraw/zinc/14/14/99/1041141499.db2.gz RAKIYXAMOBEYOO-DEOSSOPVSA-N 0 3 393.531 3.709 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001235679924 1041141503 /nfs/dbraw/zinc/14/15/03/1041141503.db2.gz RAKIYXAMOBEYOO-DEOSSOPVSA-N 0 3 393.531 3.709 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H]2c2ccccc2)N(C)C)cc1 ZINC001256231744 1041667456 /nfs/dbraw/zinc/66/74/56/1041667456.db2.gz CXYLUEFXBUZIPF-VXKWHMMOSA-N 0 3 380.536 3.902 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)c([O-])c1 ZINC001236788672 1041893971 /nfs/dbraw/zinc/89/39/71/1041893971.db2.gz MMUXIKPKCNYCBC-OAQYLSRUSA-N 0 3 378.516 3.935 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c([O-])c1 ZINC001236789015 1041894636 /nfs/dbraw/zinc/89/46/36/1041894636.db2.gz ZIZPNNRKBDHKIS-GOSISDBHSA-N 0 3 386.467 3.691 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3cc(Cl)ccc3OC)CC2)c(O)c1 ZINC001236810918 1041911404 /nfs/dbraw/zinc/91/14/04/1041911404.db2.gz LCFUJONLHSORRL-UHFFFAOYSA-N 0 3 376.884 3.693 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001236829231 1041920157 /nfs/dbraw/zinc/92/01/57/1041920157.db2.gz GXUKWDNFSYBMSQ-UHFFFAOYSA-N 0 3 390.531 3.786 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001236829231 1041920159 /nfs/dbraw/zinc/92/01/59/1041920159.db2.gz GXUKWDNFSYBMSQ-UHFFFAOYSA-N 0 3 390.531 3.786 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001236831615 1041921416 /nfs/dbraw/zinc/92/14/16/1041921416.db2.gz WJXAVHAPAIHSKU-SFHVURJKSA-N 0 3 377.488 3.801 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001236831615 1041921417 /nfs/dbraw/zinc/92/14/17/1041921417.db2.gz WJXAVHAPAIHSKU-SFHVURJKSA-N 0 3 377.488 3.801 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)c([O-])c1 ZINC001237041321 1042002043 /nfs/dbraw/zinc/00/20/43/1042002043.db2.gz OSRARWDKNSALSG-NRFANRHFSA-N 0 3 394.515 3.771 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001237046258 1042005389 /nfs/dbraw/zinc/00/53/89/1042005389.db2.gz ABBACLZRZPIWNB-CRAIPNDOSA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001237046258 1042005392 /nfs/dbraw/zinc/00/53/92/1042005392.db2.gz ABBACLZRZPIWNB-CRAIPNDOSA-N 0 3 376.497 3.622 20 10 GHCDHN Cc1cccc(COC[C@]23COC[C@H]2C[N@@H+](Cc2ccc(C(C)C)cc2[O-])C3)n1 ZINC001237049371 1042007962 /nfs/dbraw/zinc/00/79/62/1042007962.db2.gz VWDGEEHHZBWZRF-QPPBQGQZSA-N 0 3 396.531 3.884 20 10 GHCDHN Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccc(C(C)C)cc2[O-])C3)n1 ZINC001237049371 1042007971 /nfs/dbraw/zinc/00/79/71/1042007971.db2.gz VWDGEEHHZBWZRF-QPPBQGQZSA-N 0 3 396.531 3.884 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)c4cscn4)C3)C2)c([O-])c1 ZINC001237053594 1042011842 /nfs/dbraw/zinc/01/18/42/1042011842.db2.gz ODKXAPHUTBTTRQ-IYBDPMFKSA-N 0 3 385.533 3.566 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C(=O)c4cscn4)C3)C2)c([O-])c1 ZINC001237053594 1042011847 /nfs/dbraw/zinc/01/18/47/1042011847.db2.gz ODKXAPHUTBTTRQ-IYBDPMFKSA-N 0 3 385.533 3.566 20 10 GHCDHN COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])c1 ZINC001237060060 1042015086 /nfs/dbraw/zinc/01/50/86/1042015086.db2.gz SUUIEBKGDFYSPR-UHFFFAOYSA-N 0 3 383.366 3.752 20 10 GHCDHN COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])c1 ZINC001237060060 1042015092 /nfs/dbraw/zinc/01/50/92/1042015092.db2.gz SUUIEBKGDFYSPR-UHFFFAOYSA-N 0 3 383.366 3.752 20 10 GHCDHN COC(=O)c1cccc(CN(C)Cc2ccc(OCC(F)(F)F)cc2O)c1 ZINC001237060060 1042015099 /nfs/dbraw/zinc/01/50/99/1042015099.db2.gz SUUIEBKGDFYSPR-UHFFFAOYSA-N 0 3 383.366 3.752 20 10 GHCDHN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237062444 1042016346 /nfs/dbraw/zinc/01/63/46/1042016346.db2.gz OBHLXYQWLSYTGM-UHFFFAOYSA-N 0 3 392.418 3.680 20 10 GHCDHN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237062444 1042016350 /nfs/dbraw/zinc/01/63/50/1042016350.db2.gz OBHLXYQWLSYTGM-UHFFFAOYSA-N 0 3 392.418 3.680 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC4(CC4)CC3)cc2Br)CC1 ZINC001237089638 1042031916 /nfs/dbraw/zinc/03/19/16/1042031916.db2.gz INECFNGBWDESGE-UHFFFAOYSA-N 0 3 378.358 3.577 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1C ZINC001237125133 1042052701 /nfs/dbraw/zinc/05/27/01/1042052701.db2.gz JEDSJIZWJWPJAQ-STQMWFEESA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1C ZINC001237125133 1042052710 /nfs/dbraw/zinc/05/27/10/1042052710.db2.gz JEDSJIZWJWPJAQ-STQMWFEESA-N 0 3 375.387 3.702 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001237135789 1042057499 /nfs/dbraw/zinc/05/74/99/1042057499.db2.gz LZRDMLVGFHXPPL-LJQANCHMSA-N 0 3 392.425 3.694 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001237135789 1042057505 /nfs/dbraw/zinc/05/75/05/1042057505.db2.gz LZRDMLVGFHXPPL-LJQANCHMSA-N 0 3 392.425 3.694 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001237488428 1042231664 /nfs/dbraw/zinc/23/16/64/1042231664.db2.gz LPUKDXNZBLOLJR-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001237488428 1042231670 /nfs/dbraw/zinc/23/16/70/1042231670.db2.gz LPUKDXNZBLOLJR-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)c2cc(C)ccc21 ZINC001237489077 1042232220 /nfs/dbraw/zinc/23/22/20/1042232220.db2.gz UZEGXDWMHGKPLO-OAQYLSRUSA-N 0 3 393.531 3.917 20 10 GHCDHN Cn1cc(CN2CCCC23CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC3)cn1 ZINC001237620885 1042287453 /nfs/dbraw/zinc/28/74/53/1042287453.db2.gz YROZSCFLJIASEK-UHFFFAOYSA-N 0 3 392.906 3.549 20 10 GHCDHN COC[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)Cc2cn(C)nc21 ZINC001237645392 1042301982 /nfs/dbraw/zinc/30/19/82/1042301982.db2.gz LECJGCIBCLHAMN-IBGZPJMESA-N 0 3 381.451 3.678 20 10 GHCDHN COC[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)Cc2cn(C)nc21 ZINC001237645393 1042302545 /nfs/dbraw/zinc/30/25/45/1042302545.db2.gz LECJGCIBCLHAMN-LJQANCHMSA-N 0 3 381.451 3.678 20 10 GHCDHN CCC1=NC2(CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])CC2)C(=O)N1C ZINC001237650943 1042304648 /nfs/dbraw/zinc/30/46/48/1042304648.db2.gz WSTSXDLDYYJBPF-UHFFFAOYSA-N 0 3 395.478 3.813 20 10 GHCDHN CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237677300 1042318391 /nfs/dbraw/zinc/31/83/91/1042318391.db2.gz ZUYLUVKJVZGWEQ-UHFFFAOYSA-N 0 3 394.512 3.631 20 10 GHCDHN Cc1cc([O-])c(CN2CCC([NH+]3CCC(F)CC3)CC2)cc1Br ZINC001237681868 1042322824 /nfs/dbraw/zinc/32/28/24/1042322824.db2.gz LYNDDJRRRMBLPS-UHFFFAOYSA-N 0 3 385.321 3.861 20 10 GHCDHN Cc1cccc(O[C@H]2CCN(Cc3cc(Br)c(C)cc3O)C2)n1 ZINC001237686783 1042327524 /nfs/dbraw/zinc/32/75/24/1042327524.db2.gz YBWCDXXUEMBLHR-HNNXBMFYSA-N 0 3 377.282 3.820 20 10 GHCDHN Cn1ccc(CN2CCCC23CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC3)n1 ZINC001237936081 1042427209 /nfs/dbraw/zinc/42/72/09/1042427209.db2.gz GJMYMUFVHIRPTA-UHFFFAOYSA-N 0 3 392.906 3.549 20 10 GHCDHN Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001279487439 1047823337 /nfs/dbraw/zinc/82/33/37/1047823337.db2.gz BPLQCJQXAORJBT-UHFFFAOYSA-N 0 3 379.476 3.533 20 10 GHCDHN CC(C)COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001463281455 1070960707 /nfs/dbraw/zinc/96/07/07/1070960707.db2.gz LOHNGTSLEVPSKV-HSZRJFAPSA-N 0 3 397.563 3.749 20 10 GHCDHN Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289599491 1049556311 /nfs/dbraw/zinc/55/63/11/1049556311.db2.gz DIDALAMWJGEMHE-KRWDZBQOSA-N 0 3 398.532 3.810 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2-n2cccc2)N(C)C)cc1 ZINC001289602092 1049557168 /nfs/dbraw/zinc/55/71/68/1049557168.db2.gz KBVJMZXBHQUTEB-QFIPXVFZSA-N 0 3 376.504 3.576 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001308717831 1050070369 /nfs/dbraw/zinc/07/03/69/1050070369.db2.gz KJBXZCBRNSHPGU-MRXNPFEDSA-N 0 3 378.513 3.836 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001308717831 1050070376 /nfs/dbraw/zinc/07/03/76/1050070376.db2.gz KJBXZCBRNSHPGU-MRXNPFEDSA-N 0 3 378.513 3.836 20 10 GHCDHN CCc1cccc(CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c1O ZINC001308931985 1050189038 /nfs/dbraw/zinc/18/90/38/1050189038.db2.gz DNPXOWJABBKIHX-IZAXUBKRSA-N 0 3 376.294 3.857 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000848514384 1057142490 /nfs/dbraw/zinc/14/24/90/1057142490.db2.gz NAUCJCPPNFBNSK-BXUZGUMPSA-N 0 3 383.286 3.710 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1[O-] ZINC000848526296 1057148900 /nfs/dbraw/zinc/14/89/00/1057148900.db2.gz XGJDZRFXKIMSHF-NSHDSACASA-N 0 3 378.266 3.949 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000848527212 1057150233 /nfs/dbraw/zinc/15/02/33/1057150233.db2.gz VDLDRPPWVUBDLZ-MEBBXXQBSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000848530201 1057152237 /nfs/dbraw/zinc/15/22/37/1057152237.db2.gz XDQNECBNCCLHGC-LLVKDONJSA-N 0 3 395.253 3.965 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1[O-] ZINC000848536585 1057159215 /nfs/dbraw/zinc/15/92/15/1057159215.db2.gz RUILNZGWPKAQDP-NSHDSACASA-N 0 3 392.297 3.724 20 10 GHCDHN Cc1cc(CC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c(C)n1-c1ccccc1 ZINC001440677913 1058579619 /nfs/dbraw/zinc/57/96/19/1058579619.db2.gz VNLQQFRWSMSESY-XMMPIXPASA-N 0 3 389.543 3.926 20 10 GHCDHN COc1ccccc1C1(NCc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001339154252 1058983907 /nfs/dbraw/zinc/98/39/07/1058983907.db2.gz FELHHJYYAPBWFG-UHFFFAOYSA-N 0 3 383.511 3.755 20 10 GHCDHN Cc1sc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nc1C(C)C ZINC001456930538 1062921907 /nfs/dbraw/zinc/92/19/07/1062921907.db2.gz HURWURCHBINPTI-GOSISDBHSA-N 0 3 388.581 3.603 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001460022321 1064353757 /nfs/dbraw/zinc/35/37/57/1064353757.db2.gz GFNPKHAKHRZZDE-GOSISDBHSA-N 0 3 378.513 3.630 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001460022321 1064353766 /nfs/dbraw/zinc/35/37/66/1064353766.db2.gz GFNPKHAKHRZZDE-GOSISDBHSA-N 0 3 378.513 3.630 20 10 GHCDHN O=[N+]([O-])c1cc(CNc2ccc([C@H]3CNCCO3)cc2)ccc1N1CCCCC1 ZINC000849351721 1067817600 /nfs/dbraw/zinc/81/76/00/1067817600.db2.gz CAVFVJBLHPLSFO-JOCHJYFZSA-N 0 3 396.491 3.858 20 10 GHCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(F)c1F ZINC001478254285 1078786736 /nfs/dbraw/zinc/78/67/36/1078786736.db2.gz FYGJDGACKXMYIA-LIRRHRJNSA-N 0 3 390.478 3.694 20 10 GHCDHN CC(C)Oc1ccc([C@@H](CNC(=O)N2Cc3cccc(O)c3C2)N(C)C)cc1 ZINC001478756484 1078977088 /nfs/dbraw/zinc/97/70/88/1078977088.db2.gz KRIFDJFEVKFYMJ-HXUWFJFHSA-N 0 3 383.492 3.508 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NC(=O)NCc3c(O)ccc4c3CCCC4)C2)cc1 ZINC001479155999 1079127473 /nfs/dbraw/zinc/12/74/73/1079127473.db2.gz LZTDZEIDYLOIHJ-FQEVSTJZSA-N 0 3 393.531 3.653 20 10 GHCDHN Cc1cccc(C[C@@]2(C)CCCN2CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001473686314 1074086473 /nfs/dbraw/zinc/08/64/73/1074086473.db2.gz BPWIJEVUYFPFEU-XMMPIXPASA-N 0 3 379.548 3.774 20 10 GHCDHN CN1CCN(c2ccc(CNCc3nc4cc(Cl)ccc4s3)cc2)CC1 ZINC001473960528 1074218445 /nfs/dbraw/zinc/21/84/45/1074218445.db2.gz PRCPSNOPYIUCKM-UHFFFAOYSA-N 0 3 386.952 3.991 20 10 GHCDHN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC001474404050 1074389236 /nfs/dbraw/zinc/38/92/36/1074389236.db2.gz XEKIZLPFOHGJLV-SFHVURJKSA-N 0 3 386.492 3.695 20 10 GHCDHN CCOC(=O)c1[nH]c(C)c(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1C ZINC001474404050 1074389240 /nfs/dbraw/zinc/38/92/40/1074389240.db2.gz XEKIZLPFOHGJLV-SFHVURJKSA-N 0 3 386.492 3.695 20 10 GHCDHN CCOC(=O)c1[nH]c(C)c(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1C ZINC001474404050 1074389243 /nfs/dbraw/zinc/38/92/43/1074389243.db2.gz XEKIZLPFOHGJLV-SFHVURJKSA-N 0 3 386.492 3.695 20 10 GHCDHN COC(=O)c1c(CN[C@H]2COc3cccc(C)c3C2)c2cc(F)ccc2n1C ZINC001474638592 1074494064 /nfs/dbraw/zinc/49/40/64/1074494064.db2.gz IYXRKKYDXKHUQC-OAHLLOKOSA-N 0 3 382.435 3.506 20 10 GHCDHN CC(C)(C)OC(=O)Nc1ccc(CNCCCSc2nccs2)nn1 ZINC000893044440 837837277 /nfs/dbraw/zinc/83/72/77/837837277.db2.gz IALKKHOJJRWWER-UHFFFAOYSA-N 0 3 381.527 3.552 20 10 GHCDHN CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC001167352991 838859868 /nfs/dbraw/zinc/85/98/68/838859868.db2.gz APWBVOIVQGTVCH-UHFFFAOYSA-N 0 3 396.487 3.952 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1[O-] ZINC000162669553 841878543 /nfs/dbraw/zinc/87/85/43/841878543.db2.gz BMBASJYXMZNVHU-IBGZPJMESA-N 0 3 379.460 3.575 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1[O-] ZINC000162669553 841878554 /nfs/dbraw/zinc/87/85/54/841878554.db2.gz BMBASJYXMZNVHU-IBGZPJMESA-N 0 3 379.460 3.575 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000165482387 843517260 /nfs/dbraw/zinc/51/72/60/843517260.db2.gz OZIPHJLQMFTIOC-HUUCEWRRSA-N 0 3 386.471 3.565 20 10 GHCDHN Fc1cc(Br)cc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000731450359 861620964 /nfs/dbraw/zinc/62/09/64/861620964.db2.gz IBCRTWCQPNKUOT-UHFFFAOYSA-N 0 3 379.273 3.715 20 10 GHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280289693 846352807 /nfs/dbraw/zinc/35/28/07/846352807.db2.gz ZBVCNPQNDJYVCC-BEFAXECRSA-N 0 3 376.522 3.753 20 10 GHCDHN CCCCCCN(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000731870139 861940638 /nfs/dbraw/zinc/94/06/38/861940638.db2.gz DQMANHQHFVGXDB-QZTJIDSGSA-N 0 3 393.547 3.568 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000732229741 862161949 /nfs/dbraw/zinc/16/19/49/862161949.db2.gz DSPPUDZVZLUSMR-INIZCTEOSA-N 0 3 378.875 3.948 20 10 GHCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000437005394 852600928 /nfs/dbraw/zinc/60/09/28/852600928.db2.gz FSKJGZOANXQMGH-GOSISDBHSA-N 0 3 397.494 3.529 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)C3CCCC3)ccc21 ZINC000490398758 853009739 /nfs/dbraw/zinc/00/97/39/853009739.db2.gz JBKXVFVYKNFOHS-UHFFFAOYSA-N 0 3 385.552 3.851 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(O)c1 ZINC000733334856 862876337 /nfs/dbraw/zinc/87/63/37/862876337.db2.gz RYHVTIDVDLQDSE-SFHVURJKSA-N 0 3 390.911 3.904 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC001128207970 857280258 /nfs/dbraw/zinc/28/02/58/857280258.db2.gz QMRUNLSNAXTFHU-UHFFFAOYSA-N 0 3 393.409 3.979 20 10 GHCDHN C[C@H](NCCC(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000128663063 863027882 /nfs/dbraw/zinc/02/78/82/863027882.db2.gz JXNQVNHHVJFUII-INIZCTEOSA-N 0 3 393.959 3.666 20 10 GHCDHN COC[C@H](NCc1ccc(OC)c(OC)c1O)c1cccc(Br)c1 ZINC000895852504 860007507 /nfs/dbraw/zinc/00/75/07/860007507.db2.gz GZEMGEIIAPBTPV-HNNXBMFYSA-N 0 3 396.281 3.649 20 10 GHCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(OC)c3[O-])C2)n1 ZINC000922865302 860677822 /nfs/dbraw/zinc/67/78/22/860677822.db2.gz IWRZCRBZYRNFAC-ZWNOBZJWSA-N 0 3 396.285 3.535 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c(C(F)(F)F)c1 ZINC000792821843 881709943 /nfs/dbraw/zinc/70/99/43/881709943.db2.gz FTEBZXXEQPNSEQ-INIZCTEOSA-N 0 3 383.458 3.606 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000734173419 864052484 /nfs/dbraw/zinc/05/24/84/864052484.db2.gz JTPKHZYOBDMYHR-JOCHJYFZSA-N 0 3 380.536 3.559 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000302888513 865975279 /nfs/dbraw/zinc/97/52/79/865975279.db2.gz AINSXLPVPRQLIU-JOCHJYFZSA-N 0 3 382.552 3.759 20 10 GHCDHN CC1([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)OCCO1 ZINC000183242913 866433359 /nfs/dbraw/zinc/43/33/59/866433359.db2.gz CHJFVQVQWAKBIZ-FQEVSTJZSA-N 0 3 383.488 3.946 20 10 GHCDHN CC1([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)OCCO1 ZINC000183242913 866433370 /nfs/dbraw/zinc/43/33/70/866433370.db2.gz CHJFVQVQWAKBIZ-FQEVSTJZSA-N 0 3 383.488 3.946 20 10 GHCDHN C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183529532 866839049 /nfs/dbraw/zinc/83/90/49/866839049.db2.gz JGGXWFTXPWZUEH-HNNXBMFYSA-N 0 3 398.484 3.834 20 10 GHCDHN COc1cc([C@H](C)NCc2c(C)c3ccccc3n2C)ccc1S(C)(=O)=O ZINC000479436817 867751351 /nfs/dbraw/zinc/75/13/51/867751351.db2.gz KMAYIJSIGQGHGX-HNNXBMFYSA-N 0 3 386.517 3.750 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N(C)C)cc1 ZINC000743328949 868090423 /nfs/dbraw/zinc/09/04/23/868090423.db2.gz COMKSRXFRCUDAP-JOCHJYFZSA-N 0 3 380.536 3.697 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743558424 868265253 /nfs/dbraw/zinc/26/52/53/868265253.db2.gz YLJJPLORCMBTTN-XLIONFOSSA-N 0 3 393.531 3.906 20 10 GHCDHN CCCN(CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1O ZINC000744392613 868786686 /nfs/dbraw/zinc/78/66/86/868786686.db2.gz VRLVYNVSLVXZKZ-UHFFFAOYSA-N 0 3 383.517 3.573 20 10 GHCDHN COc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121325388 870911978 /nfs/dbraw/zinc/91/19/78/870911978.db2.gz MBAZZSAEKUDBAR-UHFFFAOYSA-N 0 3 392.503 3.554 20 10 GHCDHN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181526356 871144936 /nfs/dbraw/zinc/14/49/36/871144936.db2.gz VJNQGZYGYVTYOM-YJBOKZPZSA-N 0 3 383.458 3.881 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000182425158 872323722 /nfs/dbraw/zinc/32/37/22/872323722.db2.gz WEGPSPRBPZASDY-GJZGRUSLSA-N 0 3 386.517 3.969 20 10 GHCDHN CN1CCN(c2ccc(CN3CCn4cccc4[C@H]3c3ccccc3)cc2)CC1 ZINC000775650118 872351192 /nfs/dbraw/zinc/35/11/92/872351192.db2.gz QSJBYCGSGFZBMX-RUZDIDTESA-N 0 3 386.543 3.845 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1[O-] ZINC000527753021 873559873 /nfs/dbraw/zinc/55/98/73/873559873.db2.gz RKSJBXUHRMZLGM-INIZCTEOSA-N 0 3 383.330 3.660 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cn(-c4ccccc4)nc3C)CC2)cc1 ZINC000768998916 873764938 /nfs/dbraw/zinc/76/49/38/873764938.db2.gz PXGCERRBZLVBER-UHFFFAOYSA-N 0 3 376.504 3.902 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422921 874042188 /nfs/dbraw/zinc/04/21/88/874042188.db2.gz MWQSQWRGSUTRHM-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422921 874042199 /nfs/dbraw/zinc/04/21/99/874042199.db2.gz MWQSQWRGSUTRHM-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000769518156 874125326 /nfs/dbraw/zinc/12/53/26/874125326.db2.gz VTVVKCVYWVZWKV-QGZVFWFLSA-N 0 3 386.492 3.885 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c([O-])c1 ZINC000769518156 874125330 /nfs/dbraw/zinc/12/53/30/874125330.db2.gz VTVVKCVYWVZWKV-QGZVFWFLSA-N 0 3 386.492 3.885 20 10 GHCDHN CCOc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c([O-])c1 ZINC000769528821 874135479 /nfs/dbraw/zinc/13/54/79/874135479.db2.gz ZQRFAFLHESLVGG-KRWDZBQOSA-N 0 3 380.282 3.719 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c([O-])c1 ZINC000769528821 874135488 /nfs/dbraw/zinc/13/54/88/874135488.db2.gz ZQRFAFLHESLVGG-KRWDZBQOSA-N 0 3 380.282 3.719 20 10 GHCDHN CC(C)OCc1ccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775834163 874344456 /nfs/dbraw/zinc/34/44/56/874344456.db2.gz KTNMYCAMIPVQOO-GOSISDBHSA-N 0 3 383.536 3.645 20 10 GHCDHN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000770327264 874601541 /nfs/dbraw/zinc/60/15/41/874601541.db2.gz RSBNATKDEKYRSM-UTKZUKDTSA-N 0 3 383.496 3.865 20 10 GHCDHN Cc1cc([C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)ccc1F ZINC000776032615 875232467 /nfs/dbraw/zinc/23/24/67/875232467.db2.gz XRINXKHMKUDPJC-QHCPKHFHSA-N 0 3 383.511 3.899 20 10 GHCDHN COc1ccccc1[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccco1 ZINC000771845975 875484240 /nfs/dbraw/zinc/48/42/40/875484240.db2.gz KXPVAMJRPLQFCB-XMMPIXPASA-N 0 3 391.515 3.919 20 10 GHCDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001201880888 875920288 /nfs/dbraw/zinc/92/02/88/875920288.db2.gz GPKPJWZXXOGXGL-INIZCTEOSA-N 0 3 387.547 3.688 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000776250027 876047553 /nfs/dbraw/zinc/04/75/53/876047553.db2.gz COJZHPSEJQQXDW-UHFFFAOYSA-N 0 3 376.250 3.971 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(N(C)C)cc1 ZINC000786786586 876938950 /nfs/dbraw/zinc/93/89/50/876938950.db2.gz ZAKQBKMNBKWMEB-QVKFZJNVSA-N 0 3 387.474 3.873 20 10 GHCDHN CS(=O)(=O)CC1(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000850485993 876959422 /nfs/dbraw/zinc/95/94/22/876959422.db2.gz PULKRNJSIZFEAR-HXUWFJFHSA-N 0 3 387.545 3.871 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1csc(Cl)c1 ZINC000786897655 877014688 /nfs/dbraw/zinc/01/46/88/877014688.db2.gz HUGJCDIVNJCBSY-ZFWWWQNUSA-N 0 3 377.941 3.954 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Br)nc1 ZINC000850568175 877036153 /nfs/dbraw/zinc/03/61/53/877036153.db2.gz QXNLTJMUCRGYQY-AWEZNQCLSA-N 0 3 390.325 3.656 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000788519356 878126393 /nfs/dbraw/zinc/12/63/93/878126393.db2.gz QCCQOCUQCCNAHV-INIZCTEOSA-N 0 3 386.883 3.783 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3nc4ccccc4n3C)cc2F)CC1 ZINC000180103445 878492997 /nfs/dbraw/zinc/49/29/97/878492997.db2.gz LOAWJLIKTCABAC-QGZVFWFLSA-N 0 3 395.526 3.705 20 10 GHCDHN CC(=O)Nc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cn1 ZINC000789752947 879265139 /nfs/dbraw/zinc/26/51/39/879265139.db2.gz XLSQYFIJYYCSBH-UHFFFAOYSA-N 0 3 377.444 3.614 20 10 GHCDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000854172632 879605949 /nfs/dbraw/zinc/60/59/49/879605949.db2.gz CRIZMECGFNXJOR-UHFFFAOYSA-N 0 3 396.495 3.586 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)NCCCSc2nccs2)N(C)C)cc1 ZINC000152845894 879820395 /nfs/dbraw/zinc/82/03/95/879820395.db2.gz ZWHNAJLGPLKDKH-MRXNPFEDSA-N 0 3 378.567 3.536 20 10 GHCDHN C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000777117637 884006239 /nfs/dbraw/zinc/00/62/39/884006239.db2.gz XOGHFBDPCFZTJL-KGVIQGDOSA-N 0 3 395.551 3.645 20 10 GHCDHN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000777117638 884006855 /nfs/dbraw/zinc/00/68/55/884006855.db2.gz XOGHFBDPCFZTJL-NPPFBWRTSA-N 0 3 395.551 3.645 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)ccc21 ZINC001130518067 884375923 /nfs/dbraw/zinc/37/59/23/884375923.db2.gz DVOSEGGSYQMVNI-IRLDBZIGSA-N 0 3 383.536 3.651 20 10 GHCDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000806324191 884585018 /nfs/dbraw/zinc/58/50/18/884585018.db2.gz CUMSFPPPVQBGCD-JOCHJYFZSA-N 0 3 398.551 3.642 20 10 GHCDHN COc1cc(O)c(CN2CCN(Cc3cccc4ccccc43)CC2)cc1OC ZINC000762167632 885538262 /nfs/dbraw/zinc/53/82/62/885538262.db2.gz HXUKXYLUFFYCPG-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808680587 886636891 /nfs/dbraw/zinc/63/68/91/886636891.db2.gz MQPDLTAFPPHEGW-CHWSQXEVSA-N 0 3 382.913 3.674 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(Cl)nc3)cc2F)CC1 ZINC000179123139 886706381 /nfs/dbraw/zinc/70/63/81/886706381.db2.gz JSFIZZGSZYTXQR-OAHLLOKOSA-N 0 3 376.907 3.867 20 10 GHCDHN CCC1(N2CCOCC2)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000863492927 887148842 /nfs/dbraw/zinc/14/88/42/887148842.db2.gz OPUXGTCAIUDHBX-UHFFFAOYSA-N 0 3 395.547 3.811 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000915688593 887306617 /nfs/dbraw/zinc/30/66/17/887306617.db2.gz RHFVOPREWGGNNM-QHCPKHFHSA-N 0 3 392.547 3.923 20 10 GHCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCCC1 ZINC000915765399 887418262 /nfs/dbraw/zinc/41/82/62/887418262.db2.gz NMMGAPSYSZIVBS-INIZCTEOSA-N 0 3 379.464 3.641 20 10 GHCDHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])s1 ZINC000809721209 887745342 /nfs/dbraw/zinc/74/53/42/887745342.db2.gz NWZRYOAUUPDZGT-QWRGUYRKSA-N 0 3 382.917 3.521 20 10 GHCDHN Cc1cc(Br)c([O-])c(CNc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000865704136 888526347 /nfs/dbraw/zinc/52/63/47/888526347.db2.gz RHDAWSFUSYPXQL-UHFFFAOYSA-N 0 3 379.302 3.538 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866534022 888922506 /nfs/dbraw/zinc/92/25/06/888922506.db2.gz YYGSAJQRWBNQBV-HIFRSBDPSA-N 0 3 384.314 3.699 20 10 GHCDHN CC[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154235413 890685534 /nfs/dbraw/zinc/68/55/34/890685534.db2.gz PXXYLEBAQBRYEE-DHIUTWEWSA-N 0 3 395.547 3.902 20 10 GHCDHN CCOc1cccc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC000812761461 890909360 /nfs/dbraw/zinc/90/93/60/890909360.db2.gz KEXYBHRPIXNKBV-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000812769968 890945321 /nfs/dbraw/zinc/94/53/21/890945321.db2.gz DHOYNTZMESKSFD-UHFFFAOYSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000812769968 890945329 /nfs/dbraw/zinc/94/53/29/890945329.db2.gz DHOYNTZMESKSFD-UHFFFAOYSA-N 0 3 376.497 3.766 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3ccc4nccnc4c3)cc2F)C[C@@H](C)O1 ZINC000873015237 891429840 /nfs/dbraw/zinc/42/98/40/891429840.db2.gz HIHXLKIPLADWFK-HZPDHXFCSA-N 0 3 380.467 3.672 20 10 GHCDHN COc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1Cn1cccn1 ZINC000873066360 891451266 /nfs/dbraw/zinc/45/12/66/891451266.db2.gz UWQVETIMSFPUML-UHFFFAOYSA-N 0 3 395.478 3.875 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCc3ccccc3C2)N(C)C)cc1 ZINC001134681728 893217143 /nfs/dbraw/zinc/21/71/43/893217143.db2.gz DPWFFEZXPUMUKH-JPYJTQIMSA-N 0 3 379.548 3.667 20 10 GHCDHN C[C@@H](SCc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681629 893217671 /nfs/dbraw/zinc/21/76/71/893217671.db2.gz BYSSNONNKBHLHU-DYESRHJHSA-N 0 3 385.577 3.793 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)nc2C2CCCCC2)N(C)C)cc1 ZINC001134681917 893218012 /nfs/dbraw/zinc/21/80/12/893218012.db2.gz MTWNFCHXEMTMLX-OAQYLSRUSA-N 0 3 397.567 3.567 20 10 GHCDHN CCN(C)c1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000815116197 893448524 /nfs/dbraw/zinc/44/85/24/893448524.db2.gz DPTGQGLAOUQTGW-LJQANCHMSA-N 0 3 377.326 3.903 20 10 GHCDHN COc1ccc(/C=C(/C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1F ZINC001134882592 893506486 /nfs/dbraw/zinc/50/64/86/893506486.db2.gz RLGQAIJXPKHVRJ-XHVGKJTDSA-N 0 3 399.510 3.723 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)cc1 ZINC000826019850 893995526 /nfs/dbraw/zinc/99/55/26/893995526.db2.gz LLXPMBQZFHVRRF-LJQANCHMSA-N 0 3 388.943 3.938 20 10 GHCDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000817402482 895581685 /nfs/dbraw/zinc/58/16/85/895581685.db2.gz USFDZPFNCXTOCP-IBGZPJMESA-N 0 3 379.464 3.593 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCCCNC1)c1cc(Br)cc(Br)c1[O-] ZINC000817984312 895993930 /nfs/dbraw/zinc/99/39/30/895993930.db2.gz QBKGCXZICMSANM-KOLCDFICSA-N 0 3 392.135 3.710 20 10 GHCDHN C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817984312 895993936 /nfs/dbraw/zinc/99/39/36/895993936.db2.gz QBKGCXZICMSANM-KOLCDFICSA-N 0 3 392.135 3.710 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3cc(O)ccc3Br)C2)cc1 ZINC000818220134 896084307 /nfs/dbraw/zinc/08/43/07/896084307.db2.gz FQSRITFIAZXEBS-CQSZACIVSA-N 0 3 391.309 3.779 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3nc4c(s3)CCCC4)CC1)[C@H](O)CO2 ZINC000819895289 897037144 /nfs/dbraw/zinc/03/71/44/897037144.db2.gz LHNFUKOMGHFEIL-GOSISDBHSA-N 0 3 386.517 3.533 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc(Br)s1 ZINC000883290031 897454989 /nfs/dbraw/zinc/45/49/89/897454989.db2.gz IRSLXXQOZREMDQ-CYBMUJFWSA-N 0 3 395.370 3.508 20 10 GHCDHN CN(Cc1cn(C)nc1-c1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000823390364 899004328 /nfs/dbraw/zinc/00/43/28/899004328.db2.gz FXUHRYXHQVJRBA-UHFFFAOYSA-N 0 3 394.494 3.695 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3cc4cc(Cl)cnc4o3)cc2)CC1 ZINC000823703155 899197662 /nfs/dbraw/zinc/19/76/62/899197662.db2.gz WUVVMCZGKSUAFA-UHFFFAOYSA-N 0 3 385.895 3.980 20 10 GHCDHN OCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000824673180 899756654 /nfs/dbraw/zinc/75/66/54/899756654.db2.gz OTCRXAZIQSGMNZ-HXUWFJFHSA-N 0 3 394.437 3.755 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1[O-] ZINC000824926976 899892626 /nfs/dbraw/zinc/89/26/26/899892626.db2.gz YITQHALKUMQEKN-KRWDZBQOSA-N 0 3 391.309 3.772 20 10 GHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112256 899984192 /nfs/dbraw/zinc/98/41/92/899984192.db2.gz SDFJUJKIGOVVGD-SJORKVTESA-N 0 3 390.524 3.870 20 10 GHCDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112256 899984199 /nfs/dbraw/zinc/98/41/99/899984199.db2.gz SDFJUJKIGOVVGD-SJORKVTESA-N 0 3 390.524 3.870 20 10 GHCDHN Oc1cccc(Cl)c1CNc1cc(N2CCOCC2)c(Br)cn1 ZINC000825311287 900115092 /nfs/dbraw/zinc/11/50/92/900115092.db2.gz IGSXQVZAZRWBHT-UHFFFAOYSA-N 0 3 398.688 3.652 20 10 GHCDHN C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccccc1[O-] ZINC000290178609 914560943 /nfs/dbraw/zinc/56/09/43/914560943.db2.gz NFYIGLQHZUQPJL-OAHLLOKOSA-N 0 3 379.460 3.612 20 10 GHCDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000846082157 902658691 /nfs/dbraw/zinc/65/86/91/902658691.db2.gz NOPHRWQKKDUBDC-IAGOWNOFSA-N 0 3 383.444 3.781 20 10 GHCDHN COc1cccc([C@H](C)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1O ZINC000846148962 902721397 /nfs/dbraw/zinc/72/13/97/902721397.db2.gz VJJMQLPYVMWSKO-KRWDZBQOSA-N 0 3 382.504 3.533 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000779030455 903172498 /nfs/dbraw/zinc/17/24/98/903172498.db2.gz ACRRRJAIAAXXFI-CJNGLKHVSA-N 0 3 383.330 3.761 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000779040765 903376031 /nfs/dbraw/zinc/37/60/31/903376031.db2.gz LPNFGQLYGUYJMT-BLLLJJGKSA-N 0 3 382.273 3.856 20 10 GHCDHN CCOc1ccc(C[NH2+]C2(c3cccc(OC)c3F)CCOCC2)c([O-])c1 ZINC000775047967 914752218 /nfs/dbraw/zinc/75/22/18/914752218.db2.gz PYSREWLZYJFFEE-UHFFFAOYSA-N 0 3 375.440 3.734 20 10 GHCDHN CCOc1ccc(CNC2(c3cccc(OC)c3F)CCOCC2)c(O)c1 ZINC000775047967 914752229 /nfs/dbraw/zinc/75/22/29/914752229.db2.gz PYSREWLZYJFFEE-UHFFFAOYSA-N 0 3 375.440 3.734 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000801597046 921175824 /nfs/dbraw/zinc/17/58/24/921175824.db2.gz YVJRZNABWSWOFP-IBGZPJMESA-N 0 3 383.448 3.708 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000801597046 921175828 /nfs/dbraw/zinc/17/58/28/921175828.db2.gz YVJRZNABWSWOFP-IBGZPJMESA-N 0 3 383.448 3.708 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000801597046 921175833 /nfs/dbraw/zinc/17/58/33/921175833.db2.gz YVJRZNABWSWOFP-IBGZPJMESA-N 0 3 383.448 3.708 20 10 GHCDHN COc1c([O-])c(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000365828387 921193383 /nfs/dbraw/zinc/19/33/83/921193383.db2.gz UXNKNGXLFUMQDE-HNNXBMFYSA-N 0 3 385.464 3.624 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000192698300 907855761 /nfs/dbraw/zinc/85/57/61/907855761.db2.gz BDSKBMWQFBBUOV-HXUWFJFHSA-N 0 3 385.439 3.738 20 10 GHCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000186127543 907881977 /nfs/dbraw/zinc/88/19/77/907881977.db2.gz HUEMPHHAWNGZQF-VHSSKADRSA-N 0 3 397.357 3.573 20 10 GHCDHN COc1cc(C)nc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000777435614 908110896 /nfs/dbraw/zinc/11/08/96/908110896.db2.gz IDWRGESKPIIWLZ-HNNXBMFYSA-N 0 3 377.435 3.759 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(O)ccc3C(F)(F)F)c2)CC1 ZINC000193856919 908899558 /nfs/dbraw/zinc/89/95/58/908899558.db2.gz NDHPZZRLWAEKJP-UHFFFAOYSA-N 0 3 393.409 3.805 20 10 GHCDHN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000271323654 910862000 /nfs/dbraw/zinc/86/20/00/910862000.db2.gz ZEHGFDHQZHRMFW-KRWDZBQOSA-N 0 3 388.581 3.624 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1 ZINC000774482106 911788170 /nfs/dbraw/zinc/78/81/70/911788170.db2.gz GBWQPYQZOQQRNR-SJORKVTESA-N 0 3 378.520 3.632 20 10 GHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)COCc1ccccc1F ZINC000098072151 916162579 /nfs/dbraw/zinc/16/25/79/916162579.db2.gz RSALUYUKPXEVNC-IBGZPJMESA-N 0 3 385.435 3.704 20 10 GHCDHN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000775256504 916638463 /nfs/dbraw/zinc/63/84/63/916638463.db2.gz ZCWDBAVYQAUFLD-MSOLQXFVSA-N 0 3 399.510 3.533 20 10 GHCDHN CCC[C@@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775260105 916706183 /nfs/dbraw/zinc/70/61/83/916706183.db2.gz NAWZRDQIBJVVLI-WMZHIEFXSA-N 0 3 395.547 3.831 20 10 GHCDHN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000796470902 917574987 /nfs/dbraw/zinc/57/49/87/917574987.db2.gz XUMOISPWGPMZCK-NRFANRHFSA-N 0 3 379.504 3.829 20 10 GHCDHN CC(C)(C)n1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000113359182 919367022 /nfs/dbraw/zinc/36/70/22/919367022.db2.gz RVUBHMGHWUVGHA-GOSISDBHSA-N 0 3 376.932 3.751 20 10 GHCDHN CCOc1cccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000113960592 919382802 /nfs/dbraw/zinc/38/28/02/919382802.db2.gz VFGJXJGURRLWHE-INIZCTEOSA-N 0 3 394.393 3.705 20 10 GHCDHN CN1CCCc2cc(CNC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)ccc21 ZINC000116167157 919500466 /nfs/dbraw/zinc/50/04/66/919500466.db2.gz FTEQNTIRUUHNGI-OAQYLSRUSA-N 0 3 395.522 3.737 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOC2CCSCC2)c1[O-] ZINC000903445769 923032274 /nfs/dbraw/zinc/03/22/74/923032274.db2.gz JVSGIDAPMCLYBZ-NSHDSACASA-N 0 3 390.343 3.726 20 10 GHCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000903450693 923034731 /nfs/dbraw/zinc/03/47/31/923034731.db2.gz LBMJUYSEMHRYGT-WZRBSPASSA-N 0 3 386.286 3.546 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000748358691 923602018 /nfs/dbraw/zinc/60/20/18/923602018.db2.gz CIMCAXZBERJHLH-HXUWFJFHSA-N 0 3 383.536 3.585 20 10 GHCDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000827544517 925783118 /nfs/dbraw/zinc/78/31/18/925783118.db2.gz DACPUPJUHPVJRW-IBGZPJMESA-N 0 3 386.565 3.572 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000387928997 926379572 /nfs/dbraw/zinc/37/95/72/926379572.db2.gz LLFAMZBMSDZCMA-OAHLLOKOSA-N 0 3 384.904 3.933 20 10 GHCDHN CC(C)OC(=O)c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000749515589 927163985 /nfs/dbraw/zinc/16/39/85/927163985.db2.gz VKLMDRXIHUYPLB-UHFFFAOYSA-N 0 3 382.504 3.720 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000375085353 927892729 /nfs/dbraw/zinc/89/27/29/927892729.db2.gz UUEKNRRTCXALLL-UHFFFAOYSA-N 0 3 383.488 3.743 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000375085353 927892736 /nfs/dbraw/zinc/89/27/36/927892736.db2.gz UUEKNRRTCXALLL-UHFFFAOYSA-N 0 3 383.488 3.743 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000753944203 929606882 /nfs/dbraw/zinc/60/68/82/929606882.db2.gz WXPZMGMQOPHROV-MJGOQNOKSA-N 0 3 396.535 3.683 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000757864236 929831266 /nfs/dbraw/zinc/83/12/66/929831266.db2.gz OMSDMBCZIYHDLK-INIZCTEOSA-N 0 3 383.492 3.508 20 10 GHCDHN C[C@H](NCc1cncn1Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000782529476 931259458 /nfs/dbraw/zinc/25/94/58/931259458.db2.gz PUHYLLVMXJGNRR-IBGZPJMESA-N 0 3 376.504 3.619 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2c1c(F)ccc2[O-] ZINC000797086293 932176665 /nfs/dbraw/zinc/17/66/65/932176665.db2.gz LPLJISJWKOHCEV-IAQYHMDHSA-N 0 3 391.874 3.956 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(C)c1OC ZINC000927124600 932423993 /nfs/dbraw/zinc/42/39/93/932423993.db2.gz MMVRULLSKFRLDA-INIZCTEOSA-N 0 3 388.483 3.839 20 10 GHCDHN CC[C@](C)(NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(C)cs1 ZINC001116488259 933587160 /nfs/dbraw/zinc/58/71/60/933587160.db2.gz PWWYWTXCWMJZHB-FQEVSTJZSA-N 0 3 376.545 3.757 20 10 GHCDHN Cc1cc(C(=O)CN2CCN(C3CCCCC3)CC2)c(C)n1-c1ccc(F)cn1 ZINC000828067263 935572568 /nfs/dbraw/zinc/57/25/68/935572568.db2.gz GKRAEDKXEABXCO-UHFFFAOYSA-N 0 3 398.526 3.761 20 10 GHCDHN COC1CCN(c2ccc(CN3CC[C@@H](OCc4c(C)noc4C)C3)cc2)CC1 ZINC000828884500 935734569 /nfs/dbraw/zinc/73/45/69/935734569.db2.gz DICSPOJLNLIAID-JOCHJYFZSA-N 0 3 399.535 3.698 20 10 GHCDHN Cc1cc(CN2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137856315 935827774 /nfs/dbraw/zinc/82/77/74/935827774.db2.gz YSFYGGYXBRNYKM-ILWGZMRPSA-N 0 3 392.503 3.618 20 10 GHCDHN COc1cc(I)cc(CN2CCCC[C@H](C)C2)c1O ZINC001248390681 1035800830 /nfs/dbraw/zinc/80/08/30/1035800830.db2.gz BLBLKOFLBUFWNV-NSHDSACASA-N 0 3 375.250 3.627 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)c2ccccc21 ZINC001204240564 1032685068 /nfs/dbraw/zinc/68/50/68/1032685068.db2.gz YVRHXGFDLPSLSX-HXUWFJFHSA-N 0 3 388.515 3.695 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCc2cc(C3CC3)nn2C)c1O ZINC000927101144 1017353886 /nfs/dbraw/zinc/35/38/86/1017353886.db2.gz RBCVKAOYEOWUIX-JTQLQIEISA-N 0 3 380.286 3.625 20 10 GHCDHN O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204272949 1032716627 /nfs/dbraw/zinc/71/66/27/1032716627.db2.gz HWFZKFFXMWIPEJ-UHFFFAOYSA-N 0 3 386.517 3.678 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)nn1C ZINC000834530064 1021249030 /nfs/dbraw/zinc/24/90/30/1021249030.db2.gz AKZBLRRWEURXDR-GOSISDBHSA-N 0 3 376.504 3.775 20 10 GHCDHN C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000834828002 1021523843 /nfs/dbraw/zinc/52/38/43/1021523843.db2.gz NTGBZXNRXJRFBW-KXBFYZLASA-N 0 3 392.902 3.570 20 10 GHCDHN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001140465095 1021758827 /nfs/dbraw/zinc/75/88/27/1021758827.db2.gz IACPTZPZABHJOZ-UHFFFAOYSA-N 0 3 386.923 3.913 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000835026317 1021781977 /nfs/dbraw/zinc/78/19/77/1021781977.db2.gz USGGBTIJXUMGQG-IEJURRBGSA-N 0 3 379.552 3.963 20 10 GHCDHN Cc1c(O)ccc(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c1O ZINC001140750108 1022428634 /nfs/dbraw/zinc/42/86/34/1022428634.db2.gz VNCBRNGFDYDPLL-UHFFFAOYSA-N 0 3 382.382 3.627 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c(O)c1 ZINC001140850229 1022695235 /nfs/dbraw/zinc/69/52/35/1022695235.db2.gz HGIXOOSXWXPBNV-UHFFFAOYSA-N 0 3 375.463 3.839 20 10 GHCDHN CN(C)c1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)c(Cl)c1 ZINC001140924832 1022901476 /nfs/dbraw/zinc/90/14/76/1022901476.db2.gz WVGUHJFMBXMWOG-UHFFFAOYSA-N 0 3 393.922 3.859 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949404 1022969632 /nfs/dbraw/zinc/96/96/32/1022969632.db2.gz AYRKGHRSHLGLFY-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949404 1022969637 /nfs/dbraw/zinc/96/96/37/1022969637.db2.gz AYRKGHRSHLGLFY-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3ccccn3)CC2)c([O-])c1 ZINC001140949580 1022970582 /nfs/dbraw/zinc/97/05/82/1022970582.db2.gz DYRUHNUVOUGJKT-FQEVSTJZSA-N 0 3 382.504 3.793 20 10 GHCDHN Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c(O)c1 ZINC001140950272 1022972352 /nfs/dbraw/zinc/97/23/52/1022972352.db2.gz YDFAQWYEVZVWBX-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN Fc1cccn2cc(CN[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc12 ZINC000756039775 1023490585 /nfs/dbraw/zinc/49/05/85/1023490585.db2.gz JNYPTFGBURPDNA-AWEZNQCLSA-N 0 3 390.409 3.833 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756344339 1023598150 /nfs/dbraw/zinc/59/81/50/1023598150.db2.gz QBUHCGQWELXINT-RHSMWYFYSA-N 0 3 379.957 3.746 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c2c1c(F)ccc2[O-] ZINC000756420957 1023639424 /nfs/dbraw/zinc/63/94/24/1023639424.db2.gz XPEKBSVMMJCGIF-ATNYBXOESA-N 0 3 385.483 3.878 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(NS(C)(=O)=O)c1 ZINC000756494867 1023684845 /nfs/dbraw/zinc/68/48/45/1023684845.db2.gz OUYHTGLRWXAKPE-XHBSWPGZSA-N 0 3 378.469 3.802 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756569978 1023716562 /nfs/dbraw/zinc/71/65/62/1023716562.db2.gz TZLWQUHXVZOIFD-IMFGXOCKSA-N 0 3 384.495 3.613 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)CCOc2ccc(Br)cc2)c([O-])c1 ZINC001205014829 1033209275 /nfs/dbraw/zinc/20/92/75/1033209275.db2.gz ASIPRTKMZJIXPU-UHFFFAOYSA-N 0 3 380.282 3.983 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)CCOc2ccc(Br)cc2)c([O-])c1 ZINC001205014829 1033209292 /nfs/dbraw/zinc/20/92/92/1033209292.db2.gz ASIPRTKMZJIXPU-UHFFFAOYSA-N 0 3 380.282 3.983 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138389245 1024764440 /nfs/dbraw/zinc/76/44/40/1024764440.db2.gz HDEBQRHYRPSGGR-QGZVFWFLSA-N 0 3 391.556 3.888 20 10 GHCDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138678389 1025203459 /nfs/dbraw/zinc/20/34/59/1025203459.db2.gz BUOBXQZGVBFXKD-GOSISDBHSA-N 0 3 397.357 3.675 20 10 GHCDHN CN1CCN(c2ccc(CN3CCO[C@@](C)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001139412105 1026283304 /nfs/dbraw/zinc/28/33/04/1026283304.db2.gz FCRPWSJUQJBHTJ-HSZRJFAPSA-N 0 3 399.966 3.839 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ncc(C)c4cc[nH]c43)CC2)cc1 ZINC001164330281 1026488292 /nfs/dbraw/zinc/48/82/92/1026488292.db2.gz PFIHEGPPLUCNSA-UHFFFAOYSA-N 0 3 379.508 3.504 20 10 GHCDHN COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4cc(F)ccc4[O-])C3)C2=O)cc1 ZINC001140063630 1026843972 /nfs/dbraw/zinc/84/39/72/1026843972.db2.gz UDTROJWPRUHQGM-QHCPKHFHSA-N 0 3 398.478 3.555 20 10 GHCDHN COc1ccc(CN2CC[C@]3(CCC[N@@H+](Cc4cc(F)ccc4[O-])C3)C2=O)cc1 ZINC001140063630 1026843979 /nfs/dbraw/zinc/84/39/79/1026843979.db2.gz UDTROJWPRUHQGM-QHCPKHFHSA-N 0 3 398.478 3.555 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1O ZINC001140181351 1026954263 /nfs/dbraw/zinc/95/42/63/1026954263.db2.gz SYCAJHNQAIUTNG-PLMTUMEDSA-N 0 3 388.533 3.662 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1O ZINC001140181354 1026954490 /nfs/dbraw/zinc/95/44/90/1026954490.db2.gz SYCAJHNQAIUTNG-YRISNDGFSA-N 0 3 388.533 3.662 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1O ZINC001140181347 1026954505 /nfs/dbraw/zinc/95/45/05/1026954505.db2.gz SYCAJHNQAIUTNG-DJPFJPOOSA-N 0 3 388.533 3.662 20 10 GHCDHN COc1cccc(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1O ZINC001203593759 1027459532 /nfs/dbraw/zinc/45/95/32/1027459532.db2.gz QAYALABETRAJPR-UHFFFAOYSA-N 0 3 375.428 3.908 20 10 GHCDHN COc1ccc(C[N@@H+]2CCCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001203621363 1027483848 /nfs/dbraw/zinc/48/38/48/1027483848.db2.gz BQOYYXLQSQUWGM-UHFFFAOYSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+]2CCCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001203621363 1027483863 /nfs/dbraw/zinc/48/38/63/1027483863.db2.gz BQOYYXLQSQUWGM-UHFFFAOYSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001203622334 1027484834 /nfs/dbraw/zinc/48/48/34/1027484834.db2.gz YHGBWJINNAWLRT-NQIIRXRSSA-N 0 3 394.487 3.572 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001203622334 1027484843 /nfs/dbraw/zinc/48/48/43/1027484843.db2.gz YHGBWJINNAWLRT-NQIIRXRSSA-N 0 3 394.487 3.572 20 10 GHCDHN COc1ccc(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c([O-])c1 ZINC001203627744 1027488700 /nfs/dbraw/zinc/48/87/00/1027488700.db2.gz MTBJOHCBLKZZCL-UHFFFAOYSA-N 0 3 381.398 3.527 20 10 GHCDHN COc1ccc(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c([O-])c1 ZINC001203627744 1027488706 /nfs/dbraw/zinc/48/87/06/1027488706.db2.gz MTBJOHCBLKZZCL-UHFFFAOYSA-N 0 3 381.398 3.527 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cccc(F)c4)C3)C2)cc1 ZINC001203784783 1027601618 /nfs/dbraw/zinc/60/16/18/1027601618.db2.gz CJLQLDGKZABYNE-HSZRJFAPSA-N 0 3 384.495 3.953 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(C2CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203879655 1027677283 /nfs/dbraw/zinc/67/72/83/1027677283.db2.gz WOTMLFRECNKXIC-UHFFFAOYSA-N 0 3 390.524 3.957 20 10 GHCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2n(n1)CCC2 ZINC000840720743 1027759226 /nfs/dbraw/zinc/75/92/26/1027759226.db2.gz QLQBNQYWKDRMNP-CQSZACIVSA-N 0 3 376.451 3.750 20 10 GHCDHN COc1ccc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)c1 ZINC000840759648 1027797512 /nfs/dbraw/zinc/79/75/12/1027797512.db2.gz YTAJNETYPCZRTH-OAHLLOKOSA-N 0 3 376.447 3.969 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000840947700 1027978463 /nfs/dbraw/zinc/97/84/63/1027978463.db2.gz CRBUTTOFJUDOTQ-IBGZPJMESA-N 0 3 377.326 3.821 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2c(F)cc(F)cc2F)N(C)C)cc1 ZINC001215517488 1029250179 /nfs/dbraw/zinc/25/01/79/1029250179.db2.gz FGRFUGTVYZUAQI-QGZVFWFLSA-N 0 3 380.414 3.594 20 10 GHCDHN c1cc2c(nccc2CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)[nH]1 ZINC001142887705 1029640885 /nfs/dbraw/zinc/64/08/85/1029640885.db2.gz HYBWLEDXSZOEBS-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000842905039 1029674679 /nfs/dbraw/zinc/67/46/79/1029674679.db2.gz ZIASAJFJVUYZJR-HIFRSBDPSA-N 0 3 379.472 3.808 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)c(C)n1-c1ccccc1C ZINC001152695855 1031329637 /nfs/dbraw/zinc/32/96/37/1031329637.db2.gz PRRPFJCCRQGGOO-GGAORHGYSA-N 0 3 395.547 3.510 20 10 GHCDHN Nc1ccc(N(C(=O)[C@@H]2CNC[C@H](F)C2)c2ccc3ccccc3c2N)cc1 ZINC001219471898 1031443188 /nfs/dbraw/zinc/44/31/88/1031443188.db2.gz WXIDKVSWYHTJIB-JKSUJKDBSA-N 0 3 378.451 3.617 20 10 GHCDHN COC(=O)c1c(CNCCc2nc3c(cccc3C)o2)c2cc(F)ccc2n1C ZINC001205509646 1033447039 /nfs/dbraw/zinc/44/70/39/1033447039.db2.gz MWBWIGGPFPUVMY-UHFFFAOYSA-N 0 3 395.434 3.886 20 10 GHCDHN Cc1cnc(OC(C)C)c(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001205520408 1033449718 /nfs/dbraw/zinc/44/97/18/1033449718.db2.gz HZOVKHIJIWVPLY-HXUWFJFHSA-N 0 3 399.539 3.668 20 10 GHCDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160619093 1035017801 /nfs/dbraw/zinc/01/78/01/1035017801.db2.gz QRKXHVVUODXNTD-RTBURBONSA-N 0 3 394.431 3.871 20 10 GHCDHN CC[N@H+](Cc1cc(Cl)c([O-])cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232266888 1037988048 /nfs/dbraw/zinc/98/80/48/1037988048.db2.gz FJOLUCDIOWTEOV-UHFFFAOYSA-N 0 3 384.904 3.973 20 10 GHCDHN CC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232266888 1037988051 /nfs/dbraw/zinc/98/80/51/1037988051.db2.gz FJOLUCDIOWTEOV-UHFFFAOYSA-N 0 3 384.904 3.973 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@@H]2CC(=O)OC(C)(C)C)c2ccccc2n1C ZINC001232403910 1038187516 /nfs/dbraw/zinc/18/75/16/1038187516.db2.gz FDLRDFIZGNTBHB-OAHLLOKOSA-N 0 3 386.492 3.661 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cc(C)cc(O)c4)C3)C2)cc1 ZINC001232877889 1038650309 /nfs/dbraw/zinc/65/03/09/1038650309.db2.gz DSSQIHADYAQPIU-DEOSSOPVSA-N 0 3 396.531 3.828 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001233110282 1038900728 /nfs/dbraw/zinc/90/07/28/1038900728.db2.gz JMQVTMVDSYCSQM-PKOBYXMFSA-N 0 3 396.325 3.623 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001233110280 1038900917 /nfs/dbraw/zinc/90/09/17/1038900917.db2.gz JMQVTMVDSYCSQM-IEBWSBKVSA-N 0 3 396.325 3.623 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289047 1039071443 /nfs/dbraw/zinc/07/14/43/1039071443.db2.gz HXYUJKCXHQVZTE-CZUORRHYSA-N 0 3 393.940 3.607 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289047 1039071463 /nfs/dbraw/zinc/07/14/63/1039071463.db2.gz HXYUJKCXHQVZTE-CZUORRHYSA-N 0 3 393.940 3.607 20 10 GHCDHN CCOC(=O)c1cn2cccc(CN(C)Cc3ccc(N4CCCC4)cc3)c2n1 ZINC001233458812 1039348511 /nfs/dbraw/zinc/34/85/11/1039348511.db2.gz JRJWHOBWSXILFA-UHFFFAOYSA-N 0 3 392.503 3.743 20 10 GHCDHN COc1ccc(N2CCN(Cc3cccc(OC(F)(F)F)c3O)CC2)cc1 ZINC001233728677 1039572403 /nfs/dbraw/zinc/57/24/03/1039572403.db2.gz YMXJZIVIVZVVKX-UHFFFAOYSA-N 0 3 382.382 3.622 20 10 GHCDHN CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754322 1039591394 /nfs/dbraw/zinc/59/13/94/1039591394.db2.gz DJNINUJIKMIFHT-GOSISDBHSA-N 0 3 386.414 3.514 20 10 GHCDHN CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754322 1039591406 /nfs/dbraw/zinc/59/14/06/1039591406.db2.gz DJNINUJIKMIFHT-GOSISDBHSA-N 0 3 386.414 3.514 20 10 GHCDHN O=C([C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1)N1CCCCC1 ZINC001233755231 1039591694 /nfs/dbraw/zinc/59/16/94/1039591694.db2.gz SJZUNWZLIZMMDK-OAHLLOKOSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C([C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1)N1CCCCC1 ZINC001233755231 1039591706 /nfs/dbraw/zinc/59/17/06/1039591706.db2.gz SJZUNWZLIZMMDK-OAHLLOKOSA-N 0 3 386.414 3.515 20 10 GHCDHN COc1cccc([C@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001253975929 1039932122 /nfs/dbraw/zinc/93/21/22/1039932122.db2.gz ITTSDAGORXDIPA-JOCHJYFZSA-N 0 3 383.511 3.923 20 10 GHCDHN COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234526064 1040101209 /nfs/dbraw/zinc/10/12/09/1040101209.db2.gz POXLUZCCTOJGRW-UHFFFAOYSA-N 0 3 377.440 3.899 20 10 GHCDHN COC(=O)c1ccc2c(c1)CC[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234526064 1040101217 /nfs/dbraw/zinc/10/12/17/1040101217.db2.gz POXLUZCCTOJGRW-UHFFFAOYSA-N 0 3 377.440 3.899 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](F)[C@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526240 1040102072 /nfs/dbraw/zinc/10/20/72/1040102072.db2.gz RMIGRIONJZSADB-MSOLQXFVSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](F)[C@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526240 1040102078 /nfs/dbraw/zinc/10/20/78/1040102078.db2.gz RMIGRIONJZSADB-MSOLQXFVSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545978 1040116586 /nfs/dbraw/zinc/11/65/86/1040116586.db2.gz VNZDBDVVPBERLW-XXBNENTESA-N 0 3 383.488 3.714 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545978 1040116591 /nfs/dbraw/zinc/11/65/91/1040116591.db2.gz VNZDBDVVPBERLW-XXBNENTESA-N 0 3 383.488 3.714 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC001462435838 1070252037 /nfs/dbraw/zinc/25/20/37/1070252037.db2.gz IWCIBPTZJDFGQG-SFHVURJKSA-N 0 3 376.447 3.790 20 10 GHCDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)c1 ZINC001234569712 1040136359 /nfs/dbraw/zinc/13/63/59/1040136359.db2.gz REHVMDMBCOGKPR-GOSISDBHSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)c1 ZINC001234569712 1040136373 /nfs/dbraw/zinc/13/63/73/1040136373.db2.gz REHVMDMBCOGKPR-GOSISDBHSA-N 0 3 380.444 3.611 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001234657950 1040194194 /nfs/dbraw/zinc/19/41/94/1040194194.db2.gz NVVLBPMAVRYMGN-XLIONFOSSA-N 0 3 389.540 3.605 20 10 GHCDHN O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(-c3ccccc3)c2[O-])N1Cc1cccnc1 ZINC001234997483 1040488532 /nfs/dbraw/zinc/48/85/32/1040488532.db2.gz AMWRAJXOSYBYEC-DHIUTWEWSA-N 0 3 399.494 3.830 20 10 GHCDHN O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(-c3ccccc3)c2[O-])N1Cc1cccnc1 ZINC001234997483 1040488540 /nfs/dbraw/zinc/48/85/40/1040488540.db2.gz AMWRAJXOSYBYEC-DHIUTWEWSA-N 0 3 399.494 3.830 20 10 GHCDHN [O-]c1c(CN2CCC(C3C[NH2+]C3)CC2)cc(Br)cc1C(F)(F)F ZINC001235340189 1040810320 /nfs/dbraw/zinc/81/03/20/1040810320.db2.gz NWLVSCPAYPEMSG-UHFFFAOYSA-N 0 3 393.247 3.605 20 10 GHCDHN CCOC(=O)c1cc2cc(N3CCN(Cc4ccc(N)cc4)CC3)ccc2o1 ZINC001236106988 1041539025 /nfs/dbraw/zinc/53/90/25/1041539025.db2.gz MGOYYGWZYRJASG-UHFFFAOYSA-N 0 3 379.460 3.514 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](c3ccccc3)C2)N(C)C)cc1 ZINC001256232800 1041667162 /nfs/dbraw/zinc/66/71/62/1041667162.db2.gz URFOBEYCASZPCE-IRLDBZIGSA-N 0 3 380.536 3.554 20 10 GHCDHN COc1cc(C[NH+]2CCC3(CCOC3(C)C)CC2)c([O-])cc1Br ZINC001236750536 1041871992 /nfs/dbraw/zinc/87/19/92/1041871992.db2.gz JDRWRPGWOUJSKF-UHFFFAOYSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cc(O)c(CN2CCC(Oc3cccc(Cl)n3)CC2)cc1OC ZINC001236757268 1041875133 /nfs/dbraw/zinc/87/51/33/1041875133.db2.gz JOHRGTHBWMVGOU-UHFFFAOYSA-N 0 3 378.856 3.501 20 10 GHCDHN Cc1nccnc1O[C@@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236781235 1041888369 /nfs/dbraw/zinc/88/83/69/1041888369.db2.gz AISBBFHMYBTXAK-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN CC(C)C(=O)N[C@@H]1CCCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236782761 1041889424 /nfs/dbraw/zinc/88/94/24/1041889424.db2.gz NMJOSYDPGPJTKG-HXUWFJFHSA-N 0 3 382.504 3.708 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784798 1041890823 /nfs/dbraw/zinc/89/08/23/1041890823.db2.gz APQFIPADKXTATI-FYYLOGMGSA-N 0 3 382.504 3.800 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784798 1041890828 /nfs/dbraw/zinc/89/08/28/1041890828.db2.gz APQFIPADKXTATI-FYYLOGMGSA-N 0 3 382.504 3.800 20 10 GHCDHN CCc1ccc(CN2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c(O)c1 ZINC001236788312 1041894336 /nfs/dbraw/zinc/89/43/36/1041894336.db2.gz IVCRGKIAZJTPQI-HSZRJFAPSA-N 0 3 393.487 3.704 20 10 GHCDHN CCc1ccc(C[N@H+](CCOC)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236795658 1041900421 /nfs/dbraw/zinc/90/04/21/1041900421.db2.gz XWWAQALKSVWPST-UHFFFAOYSA-N 0 3 392.540 3.803 20 10 GHCDHN CCc1ccc(C[N@@H+](CCOC)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236795658 1041900422 /nfs/dbraw/zinc/90/04/22/1041900422.db2.gz XWWAQALKSVWPST-UHFFFAOYSA-N 0 3 392.540 3.803 20 10 GHCDHN COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)c([O-])c1Cl ZINC001236801813 1041904144 /nfs/dbraw/zinc/90/41/44/1041904144.db2.gz MGMPLGOCTKXBNA-KDURUIRLSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)c([O-])c1Cl ZINC001236801813 1041904147 /nfs/dbraw/zinc/90/41/47/1041904147.db2.gz MGMPLGOCTKXBNA-KDURUIRLSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)c([O-])c1Cl ZINC001236801813 1041904150 /nfs/dbraw/zinc/90/41/50/1041904150.db2.gz MGMPLGOCTKXBNA-KDURUIRLSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)c([O-])c1Cl ZINC001236801813 1041904155 /nfs/dbraw/zinc/90/41/55/1041904155.db2.gz MGMPLGOCTKXBNA-KDURUIRLSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236814503 1041913032 /nfs/dbraw/zinc/91/30/32/1041913032.db2.gz SHURJMBAXPCAPO-UHFFFAOYSA-N 0 3 378.513 3.788 20 10 GHCDHN CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3c(C)cc(OC)cc3[O-])C2)cc1 ZINC001236816703 1041914115 /nfs/dbraw/zinc/91/41/15/1041914115.db2.gz VCSUXHNSAHHAMC-IBGZPJMESA-N 0 3 398.503 3.502 20 10 GHCDHN CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3c(C)cc(OC)cc3[O-])C2)cc1 ZINC001236816703 1041914118 /nfs/dbraw/zinc/91/41/18/1041914118.db2.gz VCSUXHNSAHHAMC-IBGZPJMESA-N 0 3 398.503 3.502 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816310 1041914456 /nfs/dbraw/zinc/91/44/56/1041914456.db2.gz SHIZCYVTWAYEQS-OAQYLSRUSA-N 0 3 378.513 3.836 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816310 1041914459 /nfs/dbraw/zinc/91/44/59/1041914459.db2.gz SHIZCYVTWAYEQS-OAQYLSRUSA-N 0 3 378.513 3.836 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc5ccccc5cc4[O-])C[C@@H]3C2=O)c1 ZINC001236828652 1041919775 /nfs/dbraw/zinc/91/97/75/1041919775.db2.gz BUOQUGJBDISUQY-GOTSBHOMSA-N 0 3 386.495 3.944 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cc5ccccc5cc4[O-])C[C@@H]3C2=O)c1 ZINC001236828652 1041919779 /nfs/dbraw/zinc/91/97/79/1041919779.db2.gz BUOQUGJBDISUQY-GOTSBHOMSA-N 0 3 386.495 3.944 20 10 GHCDHN Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2cc4ccccc4cc2[O-])CC3)cn1 ZINC001236829742 1041920640 /nfs/dbraw/zinc/92/06/40/1041920640.db2.gz KDEFVODTGLBGIT-HXUWFJFHSA-N 0 3 377.488 3.818 20 10 GHCDHN NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)cc1 ZINC001236836147 1041922662 /nfs/dbraw/zinc/92/26/62/1041922662.db2.gz YEJHFEQYFVGKBO-NRFANRHFSA-N 0 3 376.456 3.688 20 10 GHCDHN NC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)cc1 ZINC001236836147 1041922664 /nfs/dbraw/zinc/92/26/64/1041922664.db2.gz YEJHFEQYFVGKBO-NRFANRHFSA-N 0 3 376.456 3.688 20 10 GHCDHN COCCOc1ccc(N2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)cc1 ZINC001236834777 1041922806 /nfs/dbraw/zinc/92/28/06/1041922806.db2.gz DATZBLUYWOCQBC-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CCC(C)(F)CC3)cc2C1 ZINC001236842170 1041925516 /nfs/dbraw/zinc/92/55/16/1041925516.db2.gz BHAVRPIXONORHA-UHFFFAOYSA-N 0 3 394.487 3.846 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(C(=O)c4ccccc4)CC3)c(F)c2)CC1 ZINC001236933059 1041964356 /nfs/dbraw/zinc/96/43/56/1041964356.db2.gz UCRSUNJDVIDUFY-UHFFFAOYSA-N 0 3 395.522 3.672 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001237042133 1042001434 /nfs/dbraw/zinc/00/14/34/1042001434.db2.gz WUSAGLZTASBJTB-ZEQRLZLVSA-N 0 3 394.515 3.555 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001237042133 1042001441 /nfs/dbraw/zinc/00/14/41/1042001441.db2.gz WUSAGLZTASBJTB-ZEQRLZLVSA-N 0 3 394.515 3.555 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001237042720 1042002721 /nfs/dbraw/zinc/00/27/21/1042002721.db2.gz ZOFDARYKLGZDQR-QHCPKHFHSA-N 0 3 380.488 3.728 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001237042720 1042002724 /nfs/dbraw/zinc/00/27/24/1042002724.db2.gz ZOFDARYKLGZDQR-QHCPKHFHSA-N 0 3 380.488 3.728 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c([O-])c1 ZINC001237043302 1042003325 /nfs/dbraw/zinc/00/33/25/1042003325.db2.gz OYJQIDGHHPPAFJ-UHFFFAOYSA-N 0 3 393.462 3.988 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c([O-])c1 ZINC001237043302 1042003332 /nfs/dbraw/zinc/00/33/32/1042003332.db2.gz OYJQIDGHHPPAFJ-UHFFFAOYSA-N 0 3 393.462 3.988 20 10 GHCDHN CC(C)(C)OC(=O)O[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237050740 1042009565 /nfs/dbraw/zinc/00/95/65/1042009565.db2.gz FCOJOLRSGQUDEQ-AWEZNQCLSA-N 0 3 391.386 3.859 20 10 GHCDHN CCOC(=O)N1CCC([N@H+](C)Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237680207 1042319405 /nfs/dbraw/zinc/31/94/05/1042319405.db2.gz AOWVEXCAIGCBNK-UHFFFAOYSA-N 0 3 385.302 3.516 20 10 GHCDHN CCOC(=O)N1CCC([N@@H+](C)Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237680207 1042319412 /nfs/dbraw/zinc/31/94/12/1042319412.db2.gz AOWVEXCAIGCBNK-UHFFFAOYSA-N 0 3 385.302 3.516 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1[O-] ZINC001237679123 1042320394 /nfs/dbraw/zinc/32/03/94/1042320394.db2.gz GMEOJJVCDMOVRB-VQIMIIECSA-N 0 3 388.870 3.584 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1[O-] ZINC001237679123 1042320401 /nfs/dbraw/zinc/32/04/01/1042320401.db2.gz GMEOJJVCDMOVRB-VQIMIIECSA-N 0 3 388.870 3.584 20 10 GHCDHN COc1cc(CN2CCC(Oc3cccc(Cl)n3)CC2)c(O)c(OC)c1 ZINC001237681795 1042322615 /nfs/dbraw/zinc/32/26/15/1042322615.db2.gz RYLMYESMMHDKCD-UHFFFAOYSA-N 0 3 378.856 3.501 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)c1[O-] ZINC001238061148 1042478807 /nfs/dbraw/zinc/47/88/07/1042478807.db2.gz NIUTZQHOAVIJGH-HXUWFJFHSA-N 0 3 382.479 3.820 20 10 GHCDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@H]1N(C)C ZINC001295851185 1045167319 /nfs/dbraw/zinc/16/73/19/1045167319.db2.gz DCSVDEAXNJQGTP-MOPGFXCFSA-N 0 3 391.968 3.865 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c1[O-] ZINC001279282438 1047755772 /nfs/dbraw/zinc/75/57/72/1047755772.db2.gz QMYHWXFIYGQGBL-SUMWQHHRSA-N 0 3 395.341 3.612 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c1[O-] ZINC001279282438 1047755779 /nfs/dbraw/zinc/75/57/79/1047755779.db2.gz QMYHWXFIYGQGBL-SUMWQHHRSA-N 0 3 395.341 3.612 20 10 GHCDHN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279491697 1047822916 /nfs/dbraw/zinc/82/29/16/1047822916.db2.gz XSBQGTAQXUZKAF-UHFFFAOYSA-N 0 3 378.385 3.911 20 10 GHCDHN [O-]c1ccc(F)c(F)c1C[N@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279491697 1047822923 /nfs/dbraw/zinc/82/29/23/1047822923.db2.gz XSBQGTAQXUZKAF-UHFFFAOYSA-N 0 3 378.385 3.911 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001279674708 1047909569 /nfs/dbraw/zinc/90/95/69/1047909569.db2.gz MTAVNCBATQJKQJ-IBGZPJMESA-N 0 3 395.334 3.910 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001279674708 1047909573 /nfs/dbraw/zinc/90/95/73/1047909573.db2.gz MTAVNCBATQJKQJ-IBGZPJMESA-N 0 3 395.334 3.910 20 10 GHCDHN COC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC001339330928 1050017179 /nfs/dbraw/zinc/01/71/79/1050017179.db2.gz ROVISFISIHUDHY-HXUWFJFHSA-N 0 3 391.918 3.708 20 10 GHCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCCCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC001308971795 1050233494 /nfs/dbraw/zinc/23/34/94/1050233494.db2.gz WGQJPLIAXKSDBX-MRXNPFEDSA-N 0 3 378.513 3.979 20 10 GHCDHN CCOc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000755046992 1050248450 /nfs/dbraw/zinc/24/84/50/1050248450.db2.gz DCOQTKZGPYEETI-MRXNPFEDSA-N 0 3 385.464 3.681 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2Cl)N(C)C)cc1 ZINC001310062001 1051131998 /nfs/dbraw/zinc/13/19/98/1051131998.db2.gz HBOZSAQQUSYWNW-GOSISDBHSA-N 0 3 378.879 3.970 20 10 GHCDHN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001312952876 1052919841 /nfs/dbraw/zinc/91/98/41/1052919841.db2.gz KWUWMFWRWUPHBQ-FGZHOGPDSA-N 0 3 380.536 3.650 20 10 GHCDHN Cc1cncc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001313419888 1053049174 /nfs/dbraw/zinc/04/91/74/1053049174.db2.gz VAOVGJHIPZWVMF-VXKWHMMOSA-N 0 3 395.551 3.605 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1[O-] ZINC000848531052 1057152725 /nfs/dbraw/zinc/15/27/25/1057152725.db2.gz KCWXSJOMNXGPAG-GXTWGEPZSA-N 0 3 380.282 3.590 20 10 GHCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000848566274 1057182312 /nfs/dbraw/zinc/18/23/12/1057182312.db2.gz TYIBFKLYPOTOHP-VHDGCEQUSA-N 0 3 377.481 3.603 20 10 GHCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC001439961194 1058368469 /nfs/dbraw/zinc/36/84/69/1058368469.db2.gz PJJBBPLFXHNHJL-XOBRGWDASA-N 0 3 375.463 3.553 20 10 GHCDHN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001339154532 1058984920 /nfs/dbraw/zinc/98/49/20/1058984920.db2.gz HWRDOWWCZZSKHB-PMACEKPBSA-N 0 3 378.438 3.911 20 10 GHCDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001341691019 1060814254 /nfs/dbraw/zinc/81/42/54/1060814254.db2.gz FSGYUVNEBMIIQI-HUUCEWRRSA-N 0 3 382.932 3.948 20 10 GHCDHN Cc1ccc([C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)N2CCCC2)cc1 ZINC001464590469 1065099198 /nfs/dbraw/zinc/09/91/98/1065099198.db2.gz ZSVJQGHDZCXCIW-IBGZPJMESA-N 0 3 379.464 3.724 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C3CCCC3)CC2)N(C)C)cc1 ZINC001471542881 1073123336 /nfs/dbraw/zinc/12/33/36/1073123336.db2.gz CYVJFGPFVPAWIS-JOCHJYFZSA-N 0 3 386.584 3.967 20 10 GHCDHN Cc1cccc(CC2CN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)C2)c1 ZINC001471548496 1073127313 /nfs/dbraw/zinc/12/73/13/1073127313.db2.gz UMKNALAGKYZBIU-QHCPKHFHSA-N 0 3 394.563 3.548 20 10 GHCDHN COc1ccc([C@H](NC(C)C)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC001472486626 1073507995 /nfs/dbraw/zinc/50/79/95/1073507995.db2.gz SOFSTOOBKBMEAK-QHCPKHFHSA-N 0 3 395.547 3.992 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](C3CCC3)CC2)N(C)C)cc1 ZINC001479534622 1079224670 /nfs/dbraw/zinc/22/46/70/1079224670.db2.gz NQYKNAMIHAKSQW-UGKGYDQZSA-N 0 3 386.584 3.967 20 10 GHCDHN COc1ccc(N2CCN(CCNCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC001473961970 1074219319 /nfs/dbraw/zinc/21/93/19/1074219319.db2.gz SLSQOSOKPOIJDJ-UHFFFAOYSA-N 0 3 394.346 3.914 20 10 GHCDHN OC[C@@H](NCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1 ZINC001474069230 1074254138 /nfs/dbraw/zinc/25/41/38/1074254138.db2.gz CHCDLGFKMPAIFK-LJQANCHMSA-N 0 3 375.310 3.873 20 10 GHCDHN Cc1cc([O-])c(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515450 1074443770 /nfs/dbraw/zinc/44/37/70/1074443770.db2.gz UHXZFHVFDHLMNN-HXUWFJFHSA-N 0 3 399.966 3.746 20 10 GHCDHN Cc1cc([O-])c(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515450 1074443775 /nfs/dbraw/zinc/44/37/75/1074443775.db2.gz UHXZFHVFDHLMNN-HXUWFJFHSA-N 0 3 399.966 3.746 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2nc3c(s2)CCCC3)N(C)C)cc1 ZINC001475941671 1075054185 /nfs/dbraw/zinc/05/41/85/1075054185.db2.gz JHCODRJYGSEQRR-KRWDZBQOSA-N 0 3 387.553 3.512 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000153960502 834877384 /nfs/dbraw/zinc/87/73/84/834877384.db2.gz ZLHQKHMYUGKCBS-HZPDHXFCSA-N 0 3 376.522 3.835 20 10 GHCDHN Cc1cc(C)c(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000178130739 836368719 /nfs/dbraw/zinc/36/87/19/836368719.db2.gz YZRUZIVFJITARR-LJQANCHMSA-N 0 3 381.520 3.738 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1F ZINC000120813870 836586294 /nfs/dbraw/zinc/58/62/94/836586294.db2.gz PFYYHWPOZHLIGC-UHFFFAOYSA-N 0 3 398.400 3.980 20 10 GHCDHN COCC[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCOC1 ZINC000782976327 838583744 /nfs/dbraw/zinc/58/37/44/838583744.db2.gz LJRWMODVWALFBE-HNNXBMFYSA-N 0 3 380.282 3.545 20 10 GHCDHN COCC[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCOC1 ZINC000782976327 838583749 /nfs/dbraw/zinc/58/37/49/838583749.db2.gz LJRWMODVWALFBE-HNNXBMFYSA-N 0 3 380.282 3.545 20 10 GHCDHN CC[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000728945448 843803565 /nfs/dbraw/zinc/80/35/65/843803565.db2.gz UCEOWPOWGARORF-APWZRJJASA-N 0 3 397.519 3.598 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000731280852 861540153 /nfs/dbraw/zinc/54/01/53/861540153.db2.gz FHRZGCQBBWEPPK-OAQYLSRUSA-N 0 3 381.520 3.978 20 10 GHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280289700 846353003 /nfs/dbraw/zinc/35/30/03/846353003.db2.gz ZBVCNPQNDJYVCC-DNVCBOLYSA-N 0 3 376.522 3.753 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277754739 847842145 /nfs/dbraw/zinc/84/21/45/847842145.db2.gz VECMWIMFNPZPBH-UHFFFAOYSA-N 0 3 390.487 3.520 20 10 GHCDHN COC(=O)c1ccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1 ZINC000731848462 861905105 /nfs/dbraw/zinc/90/51/05/861905105.db2.gz YMABAKXTSZGWFN-UHFFFAOYSA-N 0 3 382.460 3.562 20 10 GHCDHN COC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731848462 861905118 /nfs/dbraw/zinc/90/51/18/861905118.db2.gz YMABAKXTSZGWFN-UHFFFAOYSA-N 0 3 382.460 3.562 20 10 GHCDHN COC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731848462 861905133 /nfs/dbraw/zinc/90/51/33/861905133.db2.gz YMABAKXTSZGWFN-UHFFFAOYSA-N 0 3 382.460 3.562 20 10 GHCDHN CC(=O)Nc1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847081 861905592 /nfs/dbraw/zinc/90/55/92/861905592.db2.gz CFDZHUGQBWXXJF-UHFFFAOYSA-N 0 3 381.476 3.734 20 10 GHCDHN CC(=O)Nc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847081 861905604 /nfs/dbraw/zinc/90/56/04/861905604.db2.gz CFDZHUGQBWXXJF-UHFFFAOYSA-N 0 3 381.476 3.734 20 10 GHCDHN COc1cc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc(OC)c1 ZINC000731847795 861906683 /nfs/dbraw/zinc/90/66/83/861906683.db2.gz OMPCABXNMCWLEJ-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1cc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc(OC)c1 ZINC000731847795 861906696 /nfs/dbraw/zinc/90/66/96/861906696.db2.gz OMPCABXNMCWLEJ-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1cc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc(OC)c1 ZINC000731847795 861906699 /nfs/dbraw/zinc/90/66/99/861906699.db2.gz OMPCABXNMCWLEJ-UHFFFAOYSA-N 0 3 384.476 3.793 20 10 GHCDHN C[C@H]1CCc2c(sc3nc(CC[N@H+](C)Cc4ccccc4[O-])nc(N)c23)C1 ZINC000732202762 862144998 /nfs/dbraw/zinc/14/49/98/862144998.db2.gz BEFBNXSMWCICAR-ZDUSSCGKSA-N 0 3 382.533 3.778 20 10 GHCDHN C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)Cc4ccccc4[O-])nc(N)c23)C1 ZINC000732202762 862145000 /nfs/dbraw/zinc/14/50/00/862145000.db2.gz BEFBNXSMWCICAR-ZDUSSCGKSA-N 0 3 382.533 3.778 20 10 GHCDHN CN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000732455872 862286943 /nfs/dbraw/zinc/28/69/43/862286943.db2.gz RFJRNEAJWMPCEP-JOCHJYFZSA-N 0 3 384.568 3.834 20 10 GHCDHN C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)Cc1ccccc1 ZINC000732470276 862307122 /nfs/dbraw/zinc/30/71/22/862307122.db2.gz XLKVZVHIRFUMFT-IBGZPJMESA-N 0 3 394.563 3.947 20 10 GHCDHN Cc1nn(C)c(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl ZINC000921657684 855049795 /nfs/dbraw/zinc/04/97/95/855049795.db2.gz YJOILVWXPXTPNP-UHFFFAOYSA-N 0 3 384.858 3.742 20 10 GHCDHN CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000733334645 862876450 /nfs/dbraw/zinc/87/64/50/862876450.db2.gz NQSDZCNBHVQLHQ-GOSISDBHSA-N 0 3 390.911 3.904 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000761203674 859109747 /nfs/dbraw/zinc/10/97/47/859109747.db2.gz LMETWDDARPAPMA-WFASDCNBSA-N 0 3 384.904 3.932 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1[O-] ZINC000761205637 859141982 /nfs/dbraw/zinc/14/19/82/859141982.db2.gz HFDSHMQSMHDZNE-WMLDXEAASA-N 0 3 389.801 3.678 20 10 GHCDHN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)ccc1Br ZINC000765004797 859731593 /nfs/dbraw/zinc/73/15/93/859731593.db2.gz XKQGZLHSZUUSJD-SUMWQHHRSA-N 0 3 389.293 3.919 20 10 GHCDHN CCOc1ccccc1[C@@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765252828 859867603 /nfs/dbraw/zinc/86/76/03/859867603.db2.gz JEFQTPKTEJXLHZ-IEBWSBKVSA-N 0 3 381.520 3.638 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCSc4c(F)cccc43)cc2)C1 ZINC000765256691 859873656 /nfs/dbraw/zinc/87/36/56/859873656.db2.gz VUNXGMVFOJNORV-UZLBHIALSA-N 0 3 399.535 3.854 20 10 GHCDHN Cn1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(C2CCCC2)n1 ZINC000921584895 860535165 /nfs/dbraw/zinc/53/51/65/860535165.db2.gz ZVQWAJPUQGDMAR-UHFFFAOYSA-N 0 3 382.552 3.576 20 10 GHCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)C[C@@H](C)O1 ZINC000921596783 860548303 /nfs/dbraw/zinc/54/83/03/860548303.db2.gz OYYARDGEEYEKCU-QZTJIDSGSA-N 0 3 394.515 3.551 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c(C(F)(F)F)c1 ZINC000792789969 881668226 /nfs/dbraw/zinc/66/82/26/881668226.db2.gz MWBMKIQOIMKPIR-INIZCTEOSA-N 0 3 383.458 3.510 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000840759767 863822939 /nfs/dbraw/zinc/82/29/39/863822939.db2.gz MYZMOEXAXMOOEZ-SJCJKPOMSA-N 0 3 392.421 3.984 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000734218473 864091524 /nfs/dbraw/zinc/09/15/24/864091524.db2.gz UIWMZXWNADOXFN-OAQYLSRUSA-N 0 3 381.520 3.978 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000792840664 881747846 /nfs/dbraw/zinc/74/78/46/881747846.db2.gz JFBKFRHTSNEAID-PKOBYXMFSA-N 0 3 396.457 3.593 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC(F)F)cc3)c2)CC1 ZINC000184281529 864311369 /nfs/dbraw/zinc/31/13/69/864311369.db2.gz MOLXCJLEWNNBTQ-UHFFFAOYSA-N 0 3 375.419 3.682 20 10 GHCDHN C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1[O-] ZINC000184670494 864828214 /nfs/dbraw/zinc/82/82/14/864828214.db2.gz SYBAVLYOUQYZQK-ZFWWWQNUSA-N 0 3 378.394 3.863 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735886650 865029728 /nfs/dbraw/zinc/02/97/28/865029728.db2.gz GAWFXUNULHMLEA-JOCHJYFZSA-N 0 3 394.563 3.947 20 10 GHCDHN CCOc1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)c([O-])c1 ZINC000736359961 865187800 /nfs/dbraw/zinc/18/78/00/865187800.db2.gz MUBBDEGBNLRUPC-UHFFFAOYSA-N 0 3 391.471 3.752 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185169352 865644699 /nfs/dbraw/zinc/64/46/99/865644699.db2.gz JHOJDRCQYKZUHC-INIZCTEOSA-N 0 3 376.522 3.582 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000740007467 865824772 /nfs/dbraw/zinc/82/47/72/865824772.db2.gz SSRLTEBBTUYXDW-SGTLLEGYSA-N 0 3 386.330 3.830 20 10 GHCDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1c1ccccc1 ZINC000741808394 866804883 /nfs/dbraw/zinc/80/48/83/866804883.db2.gz TXCHXYAZFHXNFG-WMZHIEFXSA-N 0 3 379.548 3.837 20 10 GHCDHN CCOC(=O)C1(COC)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000793367578 882132173 /nfs/dbraw/zinc/13/21/73/882132173.db2.gz XSVFLMDQPSZATA-UHFFFAOYSA-N 0 3 383.488 3.851 20 10 GHCDHN Cc1ccc(N2CCC[C@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000743474976 868223936 /nfs/dbraw/zinc/22/39/36/868223936.db2.gz WSBCXCWPXGYYFY-XXBNENTESA-N 0 3 393.531 3.678 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2c1 ZINC000744438332 868841189 /nfs/dbraw/zinc/84/11/89/868841189.db2.gz FGOBEVONHXFWCI-MRXNPFEDSA-N 0 3 386.492 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2c1 ZINC000744438332 868841201 /nfs/dbraw/zinc/84/12/01/868841201.db2.gz FGOBEVONHXFWCI-MRXNPFEDSA-N 0 3 386.492 3.995 20 10 GHCDHN CC[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccccc1[O-] ZINC000793558150 882265017 /nfs/dbraw/zinc/26/50/17/882265017.db2.gz CSGDRKSVKBNZIQ-XXBNENTESA-N 0 3 393.487 3.858 20 10 GHCDHN Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(O)c1 ZINC000793562468 882273326 /nfs/dbraw/zinc/27/33/26/882273326.db2.gz VCDWPEVJKUYCOI-GFCCVEGCSA-N 0 3 387.423 3.974 20 10 GHCDHN COc1cccc(CN(Cc2cc(OC)c(OC)cc2O)C[C@H]2CCCO2)c1 ZINC000775663693 872505792 /nfs/dbraw/zinc/50/57/92/872505792.db2.gz NGXCEYQXFJJAOV-LJQANCHMSA-N 0 3 387.476 3.599 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823980 872822307 /nfs/dbraw/zinc/82/23/07/872822307.db2.gz WDYFHHCXDPDJLS-ICSRJNTNSA-N 0 3 380.488 3.533 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823980 872822324 /nfs/dbraw/zinc/82/23/24/872822324.db2.gz WDYFHHCXDPDJLS-ICSRJNTNSA-N 0 3 380.488 3.533 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000768106726 873083200 /nfs/dbraw/zinc/08/32/00/873083200.db2.gz UMRRZCPFADAJSL-CQSZACIVSA-N 0 3 396.915 3.565 20 10 GHCDHN COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000768163076 873124450 /nfs/dbraw/zinc/12/44/50/873124450.db2.gz SBPJXFYHAUQPDS-UTKZUKDTSA-N 0 3 399.487 3.514 20 10 GHCDHN COC(=O)[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000768163076 873124455 /nfs/dbraw/zinc/12/44/55/873124455.db2.gz SBPJXFYHAUQPDS-UTKZUKDTSA-N 0 3 399.487 3.514 20 10 GHCDHN Cc1cccc(C(=O)N2CCCN(Cc3cc4c(cc3O)CCCC4)CC2)c1 ZINC000768440933 873305345 /nfs/dbraw/zinc/30/53/45/873305345.db2.gz HYWXHNZOYUYVPG-UHFFFAOYSA-N 0 3 378.516 3.928 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nc4c(s3)CCCC4)C1)[C@H](O)CO2 ZINC000768463405 873331259 /nfs/dbraw/zinc/33/12/59/873331259.db2.gz SMPZRMWWNXFOLX-SCLBCKFNSA-N 0 3 386.517 3.533 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3nc4c(s3)CCCC4)C1)[C@H](O)CO2 ZINC000768463405 873331277 /nfs/dbraw/zinc/33/12/77/873331277.db2.gz SMPZRMWWNXFOLX-SCLBCKFNSA-N 0 3 386.517 3.533 20 10 GHCDHN CCOc1ccc(O)c(CN(CCC(=O)OC)Cc2ccc(F)c(F)c2)c1 ZINC000769386739 874012913 /nfs/dbraw/zinc/01/29/13/874012913.db2.gz FZUMNFPNOHWAPA-UHFFFAOYSA-N 0 3 379.403 3.634 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422919 874042139 /nfs/dbraw/zinc/04/21/39/874042139.db2.gz MWQSQWRGSUTRHM-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769422919 874042152 /nfs/dbraw/zinc/04/21/52/874042152.db2.gz MWQSQWRGSUTRHM-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1cccc([C@@H](CNCc2cc(F)c(N(C)C)cc2F)N2CCCC2)c1 ZINC001199069867 874793030 /nfs/dbraw/zinc/79/30/30/874793030.db2.gz XJCPINVUZTUNJI-JOCHJYFZSA-N 0 3 389.490 3.966 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)ncn4C)cc2F)C[C@H](C)O1 ZINC001199414017 874976402 /nfs/dbraw/zinc/97/64/02/874976402.db2.gz TXQUVYURPCJLIZ-IYBDPMFKSA-N 0 3 382.483 3.616 20 10 GHCDHN CCCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC001199581518 875055147 /nfs/dbraw/zinc/05/51/47/875055147.db2.gz GJXSOFBLBKOUMK-KRWDZBQOSA-N 0 3 390.549 3.885 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC001199971554 875260828 /nfs/dbraw/zinc/26/08/28/875260828.db2.gz BGJKULSOKBIGLI-OAQYLSRUSA-N 0 3 375.516 3.810 20 10 GHCDHN Cc1ccc(N2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000771937460 875559708 /nfs/dbraw/zinc/55/97/08/875559708.db2.gz CVGLBRPYUHXHBH-UHFFFAOYSA-N 0 3 383.511 3.683 20 10 GHCDHN C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000151809021 875974125 /nfs/dbraw/zinc/97/41/25/875974125.db2.gz LRUXUHAHLVXQRT-HRAATJIYSA-N 0 3 399.922 3.633 20 10 GHCDHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000776250287 876031271 /nfs/dbraw/zinc/03/12/71/876031271.db2.gz UBLJRLOMOVEXOY-LJQANCHMSA-N 0 3 382.552 3.895 20 10 GHCDHN C[C@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490427 876968878 /nfs/dbraw/zinc/96/88/78/876968878.db2.gz BHJUZEZZKHRQJZ-ZJWNCGCPSA-N 0 3 380.451 3.778 20 10 GHCDHN Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cnn1-c1ccccc1 ZINC000850566341 877032175 /nfs/dbraw/zinc/03/21/75/877032175.db2.gz MQGOTEMQYKOOIH-SFHVURJKSA-N 0 3 390.531 3.993 20 10 GHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)cc1)CCS2 ZINC000850568033 877035649 /nfs/dbraw/zinc/03/56/49/877035649.db2.gz ODIUCJWYXIFLMY-OAQYLSRUSA-N 0 3 384.545 3.983 20 10 GHCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@H]1C ZINC000787241585 877258211 /nfs/dbraw/zinc/25/82/11/877258211.db2.gz UHAWCNNVTOLLOJ-FZMZJTMJSA-N 0 3 378.266 3.691 20 10 GHCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@H]1C ZINC000787241585 877258228 /nfs/dbraw/zinc/25/82/28/877258228.db2.gz UHAWCNNVTOLLOJ-FZMZJTMJSA-N 0 3 378.266 3.691 20 10 GHCDHN O=C(c1cccc(CN2CCCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109891701 877583015 /nfs/dbraw/zinc/58/30/15/877583015.db2.gz JFHYUWYXBQUAAE-QFIPXVFZSA-N 0 3 394.515 3.809 20 10 GHCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000795691149 912410991 /nfs/dbraw/zinc/41/09/91/912410991.db2.gz YZFJGQMRXLTOOW-SFHVURJKSA-N 0 3 389.414 3.626 20 10 GHCDHN CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)c1ccc(C)cc1[O-] ZINC000858493085 883145867 /nfs/dbraw/zinc/14/58/67/883145867.db2.gz ITESRVCGYJXOLC-QGZVFWFLSA-N 0 3 378.513 3.815 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000747231061 883623543 /nfs/dbraw/zinc/62/35/43/883623543.db2.gz DZTWJNPVLAKUCZ-FCHUYYIVSA-N 0 3 395.547 3.811 20 10 GHCDHN C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000130325189 884211400 /nfs/dbraw/zinc/21/14/00/884211400.db2.gz UUTBBVLQVINQAQ-JLTOFOAXSA-N 0 3 378.875 3.700 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCN4CCCC[C@H]34)ccc21 ZINC001130518068 884378547 /nfs/dbraw/zinc/37/85/47/884378547.db2.gz DVOSEGGSYQMVNI-RBBKRZOGSA-N 0 3 383.536 3.651 20 10 GHCDHN CSCC[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000806663166 884922404 /nfs/dbraw/zinc/92/24/04/884922404.db2.gz SSPUSOMSZXDIRS-PXNSSMCTSA-N 0 3 377.598 3.928 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807141945 885260691 /nfs/dbraw/zinc/26/06/91/885260691.db2.gz XPBCMBXFPYKMQQ-SPEDKVCISA-N 0 3 380.536 3.776 20 10 GHCDHN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@H](c1ccccc1)N(C)C ZINC000807403178 885429945 /nfs/dbraw/zinc/42/99/45/885429945.db2.gz WATUPDCNNLDZTQ-OPAMFIHVSA-N 0 3 381.520 3.762 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1[O-] ZINC000155048104 886103902 /nfs/dbraw/zinc/10/39/02/886103902.db2.gz JDBIDBNETKBWHF-FQEVSTJZSA-N 0 3 388.533 3.595 20 10 GHCDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000808681016 886638135 /nfs/dbraw/zinc/63/81/35/886638135.db2.gz SYCAWTLJEFBUEN-NRFANRHFSA-N 0 3 384.495 3.820 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1[O-] ZINC000808678040 886679311 /nfs/dbraw/zinc/67/93/11/886679311.db2.gz LAIFLHQURFVQNX-CQSZACIVSA-N 0 3 376.884 3.672 20 10 GHCDHN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000119461606 887113925 /nfs/dbraw/zinc/11/39/25/887113925.db2.gz SVGPHWREMTWLQB-HNNXBMFYSA-N 0 3 393.528 3.512 20 10 GHCDHN CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000809551333 887567071 /nfs/dbraw/zinc/56/70/71/887567071.db2.gz UZPSEPATUVRYJP-UHFFFAOYSA-N 0 3 385.511 3.980 20 10 GHCDHN CCOc1ccc(O)c(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000809686734 887706315 /nfs/dbraw/zinc/70/63/15/887706315.db2.gz JOMICEWAIAGEKQ-OAQYLSRUSA-N 0 3 396.531 3.894 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(C)cc1[O-] ZINC000794800548 888069002 /nfs/dbraw/zinc/06/90/02/888069002.db2.gz CXTOVSJSTIYIPF-FQEVSTJZSA-N 0 3 390.549 3.972 20 10 GHCDHN COC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000122399403 889722349 /nfs/dbraw/zinc/72/23/49/889722349.db2.gz KVVJNTYYMSEVFW-UHFFFAOYSA-N 0 3 396.491 3.648 20 10 GHCDHN Cc1nc2cc(C)ccn2c1CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000917069692 890990578 /nfs/dbraw/zinc/99/05/78/890990578.db2.gz FEQOQFJNYWHHEZ-UHFFFAOYSA-N 0 3 378.520 3.591 20 10 GHCDHN COCCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CCN(C)CC1 ZINC000813291702 891445612 /nfs/dbraw/zinc/44/56/12/891445612.db2.gz ZWNPPYZERPAQPO-UHFFFAOYSA-N 0 3 383.536 3.667 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000813792644 891981275 /nfs/dbraw/zinc/98/12/75/891981275.db2.gz UCBBTLRUOYRZOC-INIZCTEOSA-N 0 3 384.245 3.516 20 10 GHCDHN CN(C)c1ccc([C@@H](CNCc2ccc(F)nc2)NC(=O)OC(C)(C)C)cc1 ZINC000778179291 893121532 /nfs/dbraw/zinc/12/15/32/893121532.db2.gz UKWUVPIGPZRHPQ-GOSISDBHSA-N 0 3 388.487 3.642 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)N(C)C)cc1 ZINC001134686540 893201359 /nfs/dbraw/zinc/20/13/59/893201359.db2.gz NYUWRXARFNHBJZ-PWRODBHTSA-N 0 3 385.939 3.929 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCc2cc(Br)cc3c2OCC3)c1 ZINC000322122179 893460128 /nfs/dbraw/zinc/46/01/28/893460128.db2.gz ACTOGHLOJJMAJT-NSHDSACASA-N 0 3 378.266 3.949 20 10 GHCDHN O=C(Nc1ccc(F)c(F)c1F)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001185352828 913807787 /nfs/dbraw/zinc/80/77/87/913807787.db2.gz ZMKMIAFATRYBHR-UHFFFAOYSA-N 0 3 379.382 3.596 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])[C@@H]1n1cccn1 ZINC000815660691 894075603 /nfs/dbraw/zinc/07/56/03/894075603.db2.gz GSGHTYUHJZJGCX-ZFVVBOAOSA-N 0 3 394.313 3.729 20 10 GHCDHN COc1cc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000826036284 894208874 /nfs/dbraw/zinc/20/88/74/894208874.db2.gz DQVXXPUULXARLQ-UHFFFAOYSA-N 0 3 382.504 3.962 20 10 GHCDHN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649996 895203316 /nfs/dbraw/zinc/20/33/16/895203316.db2.gz WUNJUMWTSZZFIZ-HZPDHXFCSA-N 0 3 383.492 3.552 20 10 GHCDHN C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817969700 895988317 /nfs/dbraw/zinc/98/83/17/895988317.db2.gz YCBQZWYKMGIPEB-VYUIOLGVSA-N 0 3 392.135 3.566 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3ccc4c(c3)OC(F)(F)O4)cc2)CC1 ZINC000818181253 896097875 /nfs/dbraw/zinc/09/78/75/896097875.db2.gz YSQDYFIYGABCJO-UHFFFAOYSA-N 0 3 390.430 3.507 20 10 GHCDHN COc1c([O-])c(CNc2ccc(CC[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000774927589 914091376 /nfs/dbraw/zinc/09/13/76/914091376.db2.gz OOXNEOOARCSOJW-UHFFFAOYSA-N 0 3 385.464 3.950 20 10 GHCDHN Fc1cc(CNCc2ccc3c(c2)OCCCCO3)ccc1N1CCOCC1 ZINC000823670708 899181482 /nfs/dbraw/zinc/18/14/82/899181482.db2.gz DLFDJDJQBCFMOJ-UHFFFAOYSA-N 0 3 386.467 3.504 20 10 GHCDHN COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c(OC)c1 ZINC000824733098 899791611 /nfs/dbraw/zinc/79/16/11/899791611.db2.gz HNNNWYCPYAASIV-LBPRGKRZSA-N 0 3 395.883 3.801 20 10 GHCDHN O[C@H]([C@@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1)C(F)(F)F ZINC000825124433 899993992 /nfs/dbraw/zinc/99/39/92/899993992.db2.gz PWBKJHYRPCDNRR-TZIWHRDSSA-N 0 3 390.449 3.994 20 10 GHCDHN COc1ccc2c(c1)nccc2NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000884693651 900235822 /nfs/dbraw/zinc/23/58/22/900235822.db2.gz ISUCMQQEPHZKFB-UHFFFAOYSA-N 0 3 390.487 3.557 20 10 GHCDHN CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000775012784 914482371 /nfs/dbraw/zinc/48/23/71/914482371.db2.gz SMDOJEDZUJPRTE-QGZVFWFLSA-N 0 3 397.947 3.514 20 10 GHCDHN CCC[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(C)ccn1 ZINC000886750947 901255243 /nfs/dbraw/zinc/25/52/43/901255243.db2.gz DBGHYYMNQZDDBW-NRFANRHFSA-N 0 3 380.536 3.723 20 10 GHCDHN CN(C)CC[N@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298361 901646462 /nfs/dbraw/zinc/64/64/62/901646462.db2.gz CFHPYXBSNBWVNZ-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298361 901646470 /nfs/dbraw/zinc/64/64/70/901646470.db2.gz CFHPYXBSNBWVNZ-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CN(C)c1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1F ZINC000122315652 901761965 /nfs/dbraw/zinc/76/19/65/901761965.db2.gz OLJRCRLFPKWACL-UHFFFAOYSA-N 0 3 389.540 3.524 20 10 GHCDHN O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263664609 902370265 /nfs/dbraw/zinc/37/02/65/902370265.db2.gz IBCAAASNCUQODA-UHFFFAOYSA-N 0 3 387.483 3.849 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1[O-] ZINC000779024675 903076837 /nfs/dbraw/zinc/07/68/37/903076837.db2.gz OEXVMXMSDBKVFA-RHSMWYFYSA-N 0 3 397.357 3.757 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000779038164 903363688 /nfs/dbraw/zinc/36/36/88/903363688.db2.gz JNARZPOBYIZXDO-QANKJYHBSA-N 0 3 394.309 3.598 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1[O-] ZINC000779048865 903556985 /nfs/dbraw/zinc/55/69/85/903556985.db2.gz DEBNRDOPWZGNMI-GFCCVEGCSA-N 0 3 389.293 3.600 20 10 GHCDHN CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000773000331 904355329 /nfs/dbraw/zinc/35/53/29/904355329.db2.gz OFKSNXPWQPLFDH-HXUWFJFHSA-N 0 3 383.536 3.769 20 10 GHCDHN CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000773000328 904355369 /nfs/dbraw/zinc/35/53/69/904355369.db2.gz OFKSNXPWQPLFDH-FQEVSTJZSA-N 0 3 383.536 3.769 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC(C)(C)C[C@@H]1c1ccccc1)cc2=O ZINC001171406190 904515041 /nfs/dbraw/zinc/51/50/41/904515041.db2.gz AKGNFKLUBLCCOF-GOSISDBHSA-N 0 3 394.475 3.585 20 10 GHCDHN CCCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1O ZINC000801596731 921174456 /nfs/dbraw/zinc/17/44/56/921174456.db2.gz MCNSIGKDRWJBQW-UHFFFAOYSA-N 0 3 395.503 3.525 20 10 GHCDHN CCCCN(CC(=O)NCCc1cccc2cccnc21)Cc1ccccc1O ZINC000801596070 921175018 /nfs/dbraw/zinc/17/50/18/921175018.db2.gz NSWRSUUYNSPGLJ-UHFFFAOYSA-N 0 3 391.515 3.901 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773624258 908456718 /nfs/dbraw/zinc/45/67/18/908456718.db2.gz MDQDBAPAEAQVSR-LQWHRVPQSA-N 0 3 380.536 3.776 20 10 GHCDHN COc1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1F ZINC001177334099 908530259 /nfs/dbraw/zinc/53/02/59/908530259.db2.gz JVEHLWPZLWDRRG-GJZGRUSLSA-N 0 3 376.447 3.877 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268759542 910002318 /nfs/dbraw/zinc/00/23/18/910002318.db2.gz MWLJMHYBHKEEJC-SFHVURJKSA-N 0 3 398.526 3.898 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC001181374465 910735332 /nfs/dbraw/zinc/73/53/32/910735332.db2.gz YPBZURQSRNVEKZ-LJQANCHMSA-N 0 3 398.503 3.848 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC001181374465 910735344 /nfs/dbraw/zinc/73/53/44/910735344.db2.gz YPBZURQSRNVEKZ-LJQANCHMSA-N 0 3 398.503 3.848 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000283187678 911403866 /nfs/dbraw/zinc/40/38/66/911403866.db2.gz QKMPJDZIODQKQZ-DENIHFKCSA-N 0 3 394.515 3.536 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000283187678 911403870 /nfs/dbraw/zinc/40/38/70/911403870.db2.gz QKMPJDZIODQKQZ-DENIHFKCSA-N 0 3 394.515 3.536 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000774480696 911785828 /nfs/dbraw/zinc/78/58/28/911785828.db2.gz CGBIUSQPHLFIKI-IAGOWNOFSA-N 0 3 394.519 3.557 20 10 GHCDHN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774481922 911787885 /nfs/dbraw/zinc/78/78/85/911787885.db2.gz JDBGYIZSISOXEI-SJORKVTESA-N 0 3 382.508 3.757 20 10 GHCDHN CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000775258177 916694531 /nfs/dbraw/zinc/69/45/31/916694531.db2.gz SFDSRTHFJZVNKG-VGSWGCGISA-N 0 3 397.519 3.600 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000775369432 917207933 /nfs/dbraw/zinc/20/79/33/917207933.db2.gz BSTIHAAZMCHHST-JKSUJKDBSA-N 0 3 382.504 3.808 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000775373274 917245976 /nfs/dbraw/zinc/24/59/76/917245976.db2.gz QKWZLJGJWUTLBB-IAGOWNOFSA-N 0 3 382.504 3.879 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000775457745 918027496 /nfs/dbraw/zinc/02/74/96/918027496.db2.gz KMTCKAILDPWTAH-GOSISDBHSA-N 0 3 395.551 3.777 20 10 GHCDHN C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000903379962 922977527 /nfs/dbraw/zinc/97/75/27/922977527.db2.gz JKJPWCGFVJLFBP-SUMWQHHRSA-N 0 3 378.314 3.893 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOC2CCSCC2)c1[O-] ZINC000903445682 923032568 /nfs/dbraw/zinc/03/25/68/923032568.db2.gz JVSGIDAPMCLYBZ-LLVKDONJSA-N 0 3 390.343 3.726 20 10 GHCDHN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000827687196 925923205 /nfs/dbraw/zinc/92/32/05/925923205.db2.gz MNONENJNKDRGON-FQEVSTJZSA-N 0 3 382.504 3.708 20 10 GHCDHN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000827687196 925923211 /nfs/dbraw/zinc/92/32/11/925923211.db2.gz MNONENJNKDRGON-FQEVSTJZSA-N 0 3 382.504 3.708 20 10 GHCDHN COC[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000394287198 926413210 /nfs/dbraw/zinc/41/32/10/926413210.db2.gz XHYSHTOZTRDMDT-IIBYNOLFSA-N 0 3 378.513 3.767 20 10 GHCDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000749973698 927378059 /nfs/dbraw/zinc/37/80/59/927378059.db2.gz ZYQZIQKYLIDVQK-MRXNPFEDSA-N 0 3 378.513 3.837 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000374806816 927542639 /nfs/dbraw/zinc/54/26/39/927542639.db2.gz IKRHEOGGHDKFMV-DEYYWGMASA-N 0 3 398.341 3.681 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000753570421 929425328 /nfs/dbraw/zinc/42/53/28/929425328.db2.gz KWNROCWZSGMTCI-NRFANRHFSA-N 0 3 381.447 3.804 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759568526 930407013 /nfs/dbraw/zinc/40/70/13/930407013.db2.gz GNRJOVPYOLZYSD-RDJZCZTQSA-N 0 3 390.578 3.760 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000759654297 930440266 /nfs/dbraw/zinc/44/02/66/930440266.db2.gz APWSHOZCWBLETM-FGZHOGPDSA-N 0 3 380.536 3.730 20 10 GHCDHN COc1cc(Br)ccc1CCC[NH2+]Cc1c([O-])cccc1OC ZINC000784655718 931970228 /nfs/dbraw/zinc/97/02/28/931970228.db2.gz KEPIMFSUALGZPB-UHFFFAOYSA-N 0 3 380.282 3.894 20 10 GHCDHN CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000929733815 933602745 /nfs/dbraw/zinc/60/27/45/933602745.db2.gz ZLKIDAUJDIGDIH-FQEVSTJZSA-N 0 3 397.523 3.526 20 10 GHCDHN COCCN1CC[C@]2(CCCN(Cc3cc(C)n(-c4ccccc4)c3C)C2)C1=O ZINC001137856199 935827877 /nfs/dbraw/zinc/82/78/77/935827877.db2.gz UHLRBUBSFHRESH-DEOSSOPVSA-N 0 3 395.547 3.555 20 10 GHCDHN C[C@@H]([NH2+]C1(CNC(=O)NCc2c([O-])cccc2F)CCCC1)c1ccccc1 ZINC001227823822 1032633641 /nfs/dbraw/zinc/63/36/41/1032633641.db2.gz BCZIOCKJVIZCEV-MRXNPFEDSA-N 0 3 385.483 3.994 20 10 GHCDHN COc1ccnc(N2CCN(Cc3ccc(N(C)C)c4ccccc34)CC2)c1 ZINC001204241037 1032685044 /nfs/dbraw/zinc/68/50/44/1032685044.db2.gz SLGQDSOXYFXROA-UHFFFAOYSA-N 0 3 376.504 3.632 20 10 GHCDHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275535 1032716484 /nfs/dbraw/zinc/71/64/84/1032716484.db2.gz VRXPOESDLMPJNV-JOCHJYFZSA-N 0 3 392.499 3.674 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(C2CC[NH+](Cc3ccc(O)cc3[O-])CC2)CC1 ZINC001204274476 1032717342 /nfs/dbraw/zinc/71/73/42/1032717342.db2.gz BUEPUKMGGFNXQS-UHFFFAOYSA-N 0 3 390.524 3.957 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccccc2)nn1C ZINC000834519069 1021240481 /nfs/dbraw/zinc/24/04/81/1021240481.db2.gz PKQKUNCZIMSVOD-QGZVFWFLSA-N 0 3 394.494 3.914 20 10 GHCDHN C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O[C@@H]2CCN(C)C2)c1 ZINC001228524076 1032970562 /nfs/dbraw/zinc/97/05/62/1032970562.db2.gz YCIBAIWENNPSTQ-JTDSTZFVSA-N 0 3 385.504 3.944 20 10 GHCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccc(C(F)(F)F)cc1 ZINC000834650551 1021342585 /nfs/dbraw/zinc/34/25/85/1021342585.db2.gz NPBQEJPJDOKRSI-HZPDHXFCSA-N 0 3 376.378 3.793 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)CC2 ZINC000834901222 1021648408 /nfs/dbraw/zinc/64/84/08/1021648408.db2.gz YTHMFACMRCUXBV-YVEFUNNKSA-N 0 3 394.284 3.722 20 10 GHCDHN CCO[C@@H]1C[C@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C12CCC2 ZINC001204664371 1033019282 /nfs/dbraw/zinc/01/92/82/1033019282.db2.gz HMHKDNXCMAVOHC-RBUKOAKNSA-N 0 3 388.483 3.884 20 10 GHCDHN O=C(N1CCC[C@H](C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1)C(F)(F)F ZINC000827401236 1022143819 /nfs/dbraw/zinc/14/38/19/1022143819.db2.gz OWORPWBIOIJJBV-AWEZNQCLSA-N 0 3 388.405 3.544 20 10 GHCDHN Cc1c(O)ccc(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1O ZINC001140745521 1022418120 /nfs/dbraw/zinc/41/81/20/1022418120.db2.gz JNMCIPYAZUGKPL-UHFFFAOYSA-N 0 3 375.428 3.913 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC001140856475 1022712917 /nfs/dbraw/zinc/71/29/17/1022712917.db2.gz CJINBOZRYNNZOB-UHFFFAOYSA-N 0 3 381.520 3.587 20 10 GHCDHN COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2ccc(C)cc2[O-])CC1 ZINC001140949814 1022970269 /nfs/dbraw/zinc/97/02/69/1022970269.db2.gz MEBSSEBXGVTOQB-UHFFFAOYSA-N 0 3 384.520 3.814 20 10 GHCDHN COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2ccc(C)cc2[O-])CC1 ZINC001140949814 1022970271 /nfs/dbraw/zinc/97/02/71/1022970271.db2.gz MEBSSEBXGVTOQB-UHFFFAOYSA-N 0 3 384.520 3.814 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)Oc2ccccc21 ZINC001140949988 1022971452 /nfs/dbraw/zinc/97/14/52/1022971452.db2.gz PYBBTUGVBKJFIY-IBGZPJMESA-N 0 3 394.515 3.738 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)Oc2ccccc21 ZINC001140949989 1022971621 /nfs/dbraw/zinc/97/16/21/1022971621.db2.gz PYBBTUGVBKJFIY-LJQANCHMSA-N 0 3 394.515 3.738 20 10 GHCDHN COC(=O)c1ccc([C@H]2CCCCN2Cc2c(O)cc(OC)cc2OC)cc1 ZINC001141033055 1023302516 /nfs/dbraw/zinc/30/25/16/1023302516.db2.gz XXFPMPSHCRNRJS-LJQANCHMSA-N 0 3 385.460 3.923 20 10 GHCDHN COC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2c([O-])cc(OC)cc2OC)cc1 ZINC001141033055 1023302525 /nfs/dbraw/zinc/30/25/25/1023302525.db2.gz XXFPMPSHCRNRJS-LJQANCHMSA-N 0 3 385.460 3.923 20 10 GHCDHN COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2c([O-])cc(OC)cc2OC)cc1 ZINC001141033055 1023302532 /nfs/dbraw/zinc/30/25/32/1023302532.db2.gz XXFPMPSHCRNRJS-LJQANCHMSA-N 0 3 385.460 3.923 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)c([O-])c1 ZINC000756043811 1023492854 /nfs/dbraw/zinc/49/28/54/1023492854.db2.gz BZIVZZYOVLQWMS-IRLDBZIGSA-N 0 3 380.492 3.849 20 10 GHCDHN CN(C[C@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1)C(=O)OC(C)(C)C ZINC001141140469 1023569496 /nfs/dbraw/zinc/56/94/96/1023569496.db2.gz MMSUKRNZTFXUID-GOSISDBHSA-N 0 3 389.540 3.594 20 10 GHCDHN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756344342 1023598433 /nfs/dbraw/zinc/59/84/33/1023598433.db2.gz QBUHCGQWELXINT-WMLDXEAASA-N 0 3 379.957 3.746 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756351140 1023601301 /nfs/dbraw/zinc/60/13/01/1023601301.db2.gz JBWVXGXAHLFAEK-CCKFTAQKSA-N 0 3 388.458 3.882 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756440432 1023651921 /nfs/dbraw/zinc/65/19/21/1023651921.db2.gz DFANEMGEQMAQTC-PBHICJAKSA-N 0 3 377.481 3.674 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000756482964 1023679038 /nfs/dbraw/zinc/67/90/38/1023679038.db2.gz LNCNTTZWXXVNPP-HNNXBMFYSA-N 0 3 396.578 3.952 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000756483689 1023680315 /nfs/dbraw/zinc/68/03/15/1023680315.db2.gz VGOXPQJZRUECDT-NHYWBVRUSA-N 0 3 383.872 3.797 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654835 1023756319 /nfs/dbraw/zinc/75/63/19/1023756319.db2.gz MORQABKWOLJDRZ-DDOIHHOZSA-N 0 3 396.531 3.986 20 10 GHCDHN CN1CCOc2cc(CN3CCC[C@](C)(CNC(=O)OC(C)(C)C)C3)ccc21 ZINC001141146217 1023967051 /nfs/dbraw/zinc/96/70/51/1023967051.db2.gz OTYFRXRTEOAJEF-JOCHJYFZSA-N 0 3 389.540 3.642 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC000831530961 1024623638 /nfs/dbraw/zinc/62/36/38/1024623638.db2.gz OPSMANXQHBYHLY-UHFFFAOYSA-N 0 3 386.427 3.517 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001138388245 1024762664 /nfs/dbraw/zinc/76/26/64/1024762664.db2.gz UDWUNQPMILSAMO-WIYYLYMNSA-N 0 3 387.568 3.620 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(C)(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC001138390334 1024766280 /nfs/dbraw/zinc/76/62/80/1024766280.db2.gz RQTOFHDLIRGIHP-UHFFFAOYSA-N 0 3 387.568 3.766 20 10 GHCDHN Cc1cc(CN(Cc2ccccc2)Cc2ccc(N3CCN(C)CC3)cc2)on1 ZINC001139410819 1026282132 /nfs/dbraw/zinc/28/21/32/1026282132.db2.gz GHGYXXSSLRUECN-UHFFFAOYSA-N 0 3 390.531 3.937 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)ccc1N(C)C ZINC001139671049 1026526133 /nfs/dbraw/zinc/52/61/33/1026526133.db2.gz FHOUTYAJFZGNFQ-JOCHJYFZSA-N 0 3 391.559 3.899 20 10 GHCDHN CC[N@H+](Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2)Cc1ccccc1[O-] ZINC001139927060 1026735593 /nfs/dbraw/zinc/73/55/93/1026735593.db2.gz DJSHXQFUOYFDNE-UHFFFAOYSA-N 0 3 385.508 3.967 20 10 GHCDHN CC[N@@H+](Cc1ccc2n1CCN(C(=O)OC(C)(C)C)C2)Cc1ccccc1[O-] ZINC001139927060 1026735597 /nfs/dbraw/zinc/73/55/97/1026735597.db2.gz DJSHXQFUOYFDNE-UHFFFAOYSA-N 0 3 385.508 3.967 20 10 GHCDHN O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140054100 1026833456 /nfs/dbraw/zinc/83/34/56/1026833456.db2.gz JIJASTPQPUNTPQ-QHCPKHFHSA-N 0 3 382.479 3.589 20 10 GHCDHN O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140054100 1026833459 /nfs/dbraw/zinc/83/34/59/1026833459.db2.gz JIJASTPQPUNTPQ-QHCPKHFHSA-N 0 3 382.479 3.589 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001203635022 1027492364 /nfs/dbraw/zinc/49/23/64/1027492364.db2.gz GKRCXXLWGOKKGW-GOSISDBHSA-N 0 3 376.497 3.670 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001203650229 1027507815 /nfs/dbraw/zinc/50/78/15/1027507815.db2.gz OUUOJVCYLAVERQ-APWZRJJASA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001203650229 1027507826 /nfs/dbraw/zinc/50/78/26/1027507826.db2.gz OUUOJVCYLAVERQ-APWZRJJASA-N 0 3 387.321 3.861 20 10 GHCDHN CCCNC(=O)c1ccccc1OC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937168 1027731280 /nfs/dbraw/zinc/73/12/80/1027731280.db2.gz QSWZHRVMNIDUJM-UHFFFAOYSA-N 0 3 395.547 3.936 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC001461285269 1069480672 /nfs/dbraw/zinc/48/06/72/1069480672.db2.gz KGKLRXSTPPBKOH-HSZRJFAPSA-N 0 3 379.548 3.856 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(N3CCCC3)c2)N(C)C)cc1 ZINC001214941511 1028972433 /nfs/dbraw/zinc/97/24/33/1028972433.db2.gz WOAQGAMARVZCNF-QFIPXVFZSA-N 0 3 395.551 3.777 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2nc3ccsc3s2)N(C)C)cc1 ZINC001215389786 1029184565 /nfs/dbraw/zinc/18/45/65/1029184565.db2.gz PGPQSEIABPQMLA-OAHLLOKOSA-N 0 3 389.550 3.848 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ncc(C(C)(C)C)s2)N(C)C)cc1 ZINC001215485213 1029236229 /nfs/dbraw/zinc/23/62/29/1029236229.db2.gz VWUPNICDPNPKST-INIZCTEOSA-N 0 3 389.569 3.931 20 10 GHCDHN [NH3+]C1CC2(C1)CCN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])CC2 ZINC001222215994 1030010586 /nfs/dbraw/zinc/01/05/86/1030010586.db2.gz RMOKIKISWANJTG-UHFFFAOYSA-N 0 3 393.247 3.877 20 10 GHCDHN Cc1cc([C@@H](N)CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(Cl)n1 ZINC000843485102 1030037846 /nfs/dbraw/zinc/03/78/46/1030037846.db2.gz IAIGLAYZSIUTTQ-IBGZPJMESA-N 0 3 388.943 3.937 20 10 GHCDHN c1ccn(-c2ccc(-c3nnc(C[C@H]4CN(Cc5ccccc5)CCN4)o3)cc2)c1 ZINC001217698854 1030614739 /nfs/dbraw/zinc/61/47/39/1030614739.db2.gz LDESPKSEYQDFQP-NRFANRHFSA-N 0 3 399.498 3.544 20 10 GHCDHN CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959173 1030944561 /nfs/dbraw/zinc/94/45/61/1030944561.db2.gz NVTYFGBPFBRFHY-LIRRHRJNSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959173 1030944568 /nfs/dbraw/zinc/94/45/68/1030944568.db2.gz NVTYFGBPFBRFHY-LIRRHRJNSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC001219029498 1031220467 /nfs/dbraw/zinc/22/04/67/1031220467.db2.gz ARVZISTUQXJBBL-UHFFFAOYSA-N 0 3 377.444 3.534 20 10 GHCDHN Nc1ccc(N(C(=O)[C@@H]2CNC[C@@H](F)C2)c2ccc3ccccc3c2N)cc1 ZINC001219471896 1031443426 /nfs/dbraw/zinc/44/34/26/1031443426.db2.gz WXIDKVSWYHTJIB-HOTGVXAUSA-N 0 3 378.451 3.617 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001220212407 1031838914 /nfs/dbraw/zinc/83/89/14/1031838914.db2.gz IMHLRBBIVKFBQT-DNVCBOLYSA-N 0 3 395.890 3.951 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)N(C)C)cc1 ZINC001205470337 1033426484 /nfs/dbraw/zinc/42/64/84/1033426484.db2.gz OFOJXTKQHVNPKW-RBUKOAKNSA-N 0 3 390.478 3.661 20 10 GHCDHN CC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860505 1069800373 /nfs/dbraw/zinc/80/03/73/1069800373.db2.gz COYCHODYUXMOGU-CRAIPNDOSA-N 0 3 378.513 3.834 20 10 GHCDHN CC[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860505 1069800397 /nfs/dbraw/zinc/80/03/97/1069800397.db2.gz COYCHODYUXMOGU-CRAIPNDOSA-N 0 3 378.513 3.834 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1csc([C@@H]2CCCN2)n1 ZINC001157434256 1033585925 /nfs/dbraw/zinc/58/59/25/1033585925.db2.gz OCZLVRRSQRRMSH-KBXCAEBGSA-N 0 3 385.533 3.943 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC001206471678 1033860384 /nfs/dbraw/zinc/86/03/84/1033860384.db2.gz NWRJDLVKWXHGDY-RBUKOAKNSA-N 0 3 389.879 3.751 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC001206471678 1033860404 /nfs/dbraw/zinc/86/04/04/1033860404.db2.gz NWRJDLVKWXHGDY-RBUKOAKNSA-N 0 3 389.879 3.751 20 10 GHCDHN C[C@H]1C[C@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001230506458 1034094728 /nfs/dbraw/zinc/09/47/28/1034094728.db2.gz UMANXVDJZPOVOO-WMZOPIPTSA-N 0 3 385.483 3.631 20 10 GHCDHN C[C@H]1C[C@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@H+]1Cc1ccccc1 ZINC001230506458 1034094740 /nfs/dbraw/zinc/09/47/40/1034094740.db2.gz UMANXVDJZPOVOO-WMZOPIPTSA-N 0 3 385.483 3.631 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1[O-] ZINC001207527754 1034431112 /nfs/dbraw/zinc/43/11/12/1034431112.db2.gz UNUOOXFKDBQOPA-KRWDZBQOSA-N 0 3 398.341 3.919 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001207829009 1034606573 /nfs/dbraw/zinc/60/65/73/1034606573.db2.gz WTTUNMJFBSBMBJ-RHSMWYFYSA-N 0 3 396.478 3.889 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001207829009 1034606582 /nfs/dbraw/zinc/60/65/82/1034606582.db2.gz WTTUNMJFBSBMBJ-RHSMWYFYSA-N 0 3 396.478 3.889 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001207829023 1034606947 /nfs/dbraw/zinc/60/69/47/1034606947.db2.gz WTTUNMJFBSBMBJ-YOEHRIQHSA-N 0 3 396.478 3.889 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001207829023 1034606952 /nfs/dbraw/zinc/60/69/52/1034606952.db2.gz WTTUNMJFBSBMBJ-YOEHRIQHSA-N 0 3 396.478 3.889 20 10 GHCDHN CCN(C(C)=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231469893 1034615548 /nfs/dbraw/zinc/61/55/48/1034615548.db2.gz WHCCHRYWTLNKPY-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001231852866 1034943621 /nfs/dbraw/zinc/94/36/21/1034943621.db2.gz BRRMBYYVZPYXOS-UHFFFAOYSA-N 0 3 395.503 3.753 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)ccc2ccccc21 ZINC001231880006 1034964036 /nfs/dbraw/zinc/96/40/36/1034964036.db2.gz ABPSFQBVBBPSTQ-ZPMCFJSWSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)ccc2ccccc21 ZINC001231880006 1034964038 /nfs/dbraw/zinc/96/40/38/1034964038.db2.gz ABPSFQBVBBPSTQ-ZPMCFJSWSA-N 0 3 390.483 3.999 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1c[nH]c2ncnc(Cl)c12)c1ccccc1O ZINC001160616970 1035017522 /nfs/dbraw/zinc/01/75/22/1035017522.db2.gz ZDRHRQYFJSWKHS-QZTJIDSGSA-N 0 3 395.850 3.827 20 10 GHCDHN C=C(OCC)c1ccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])nn1 ZINC001160618900 1035018040 /nfs/dbraw/zinc/01/80/40/1035018040.db2.gz MEVOZVBGLIVQMR-FGZHOGPDSA-N 0 3 392.459 3.748 20 10 GHCDHN Cc1cc(Br)cc(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC001462227236 1070101206 /nfs/dbraw/zinc/10/12/06/1070101206.db2.gz OXWWYZZYDKJWTQ-LJQANCHMSA-N 0 3 389.337 3.822 20 10 GHCDHN CC(C)[C@@H]1CN(Cc2ccc(N(C)C)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232839995 1038591254 /nfs/dbraw/zinc/59/12/54/1038591254.db2.gz ZWQDPXUFSXWBHD-SFHVURJKSA-N 0 3 377.529 3.536 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3ccccc3-n3cccc3)CC2)cc1 ZINC001232912203 1038708723 /nfs/dbraw/zinc/70/87/23/1038708723.db2.gz LKNZCTWTJOVLLK-UHFFFAOYSA-N 0 3 391.515 3.825 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1[O-] ZINC001233109171 1038900101 /nfs/dbraw/zinc/90/01/01/1038900101.db2.gz UXUFMVQBWFJMCI-UHFFFAOYSA-N 0 3 388.309 3.731 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c1[O-] ZINC001233109171 1038900102 /nfs/dbraw/zinc/90/01/02/1038900102.db2.gz UXUFMVQBWFJMCI-UHFFFAOYSA-N 0 3 388.309 3.731 20 10 GHCDHN Cc1cc(Br)cc(CN2CCc3ncnc(C4CC4)c3CC2)c1O ZINC001233109171 1038900103 /nfs/dbraw/zinc/90/01/03/1038900103.db2.gz UXUFMVQBWFJMCI-UHFFFAOYSA-N 0 3 388.309 3.731 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001233110279 1038901269 /nfs/dbraw/zinc/90/12/69/1038901269.db2.gz JMQVTMVDSYCSQM-HKUYNNGSSA-N 0 3 396.325 3.623 20 10 GHCDHN CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001233289354 1039071925 /nfs/dbraw/zinc/07/19/25/1039071925.db2.gz SWNDONMSEFJPGN-MRXNPFEDSA-N 0 3 383.916 3.709 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334832 1039133450 /nfs/dbraw/zinc/13/34/50/1039133450.db2.gz VQVSWIGFIGTOTO-RIFZZMRRSA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334832 1039133461 /nfs/dbraw/zinc/13/34/61/1039133461.db2.gz VQVSWIGFIGTOTO-RIFZZMRRSA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334832 1039133475 /nfs/dbraw/zinc/13/34/75/1039133475.db2.gz VQVSWIGFIGTOTO-RIFZZMRRSA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334832 1039133483 /nfs/dbraw/zinc/13/34/83/1039133483.db2.gz VQVSWIGFIGTOTO-RIFZZMRRSA-N 0 3 387.474 3.798 20 10 GHCDHN COc1ccc([C@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001253313582 1039551530 /nfs/dbraw/zinc/55/15/30/1039551530.db2.gz ZPSBRAMEBYFXQH-JOCHJYFZSA-N 0 3 383.511 3.923 20 10 GHCDHN Oc1c(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cccc1OC(F)(F)F ZINC001233776157 1039607468 /nfs/dbraw/zinc/60/74/68/1039607468.db2.gz LJHIDVDCMLMKOB-GJZGRUSLSA-N 0 3 376.394 3.689 20 10 GHCDHN CN(c1ccccc1)C1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001254033052 1039966618 /nfs/dbraw/zinc/96/66/18/1039966618.db2.gz HIZDQIACWUMWLG-UHFFFAOYSA-N 0 3 396.554 3.678 20 10 GHCDHN COC(=O)N1CCC2(CC1)CC[NH+](Cc1c([O-])ccc3ccc(OC)cc31)CC2 ZINC001234518124 1040094476 /nfs/dbraw/zinc/09/44/76/1040094476.db2.gz DQBBVSFKFYXAQS-UHFFFAOYSA-N 0 3 398.503 3.998 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@H](C(=O)NC5CCC5)C[C@@H]4C3)c2c1 ZINC001234543907 1040115199 /nfs/dbraw/zinc/11/51/99/1040115199.db2.gz AEYCHJBXWDBTOF-NNZMDNLPSA-N 0 3 394.515 3.681 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@H](C(=O)NC5CCC5)C[C@@H]4C3)c2c1 ZINC001234543907 1040115207 /nfs/dbraw/zinc/11/52/07/1040115207.db2.gz AEYCHJBXWDBTOF-NNZMDNLPSA-N 0 3 394.515 3.681 20 10 GHCDHN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001254300195 1040152461 /nfs/dbraw/zinc/15/24/61/1040152461.db2.gz OVXHDRNHDYPZQJ-GOSISDBHSA-N 0 3 389.540 3.607 20 10 GHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254707806 1040467082 /nfs/dbraw/zinc/46/70/82/1040467082.db2.gz RQWIYHJHNGCBDN-INIZCTEOSA-N 0 3 378.538 3.709 20 10 GHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254707806 1040467086 /nfs/dbraw/zinc/46/70/86/1040467086.db2.gz RQWIYHJHNGCBDN-INIZCTEOSA-N 0 3 378.538 3.709 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348203 1040824256 /nfs/dbraw/zinc/82/42/56/1040824256.db2.gz DBFNHLKBLKKYPC-UYAOXDASSA-N 0 3 387.321 3.734 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([O-])c1 ZINC001235679847 1041141333 /nfs/dbraw/zinc/14/13/33/1041141333.db2.gz QGONPSVQJLZRFZ-XXBNENTESA-N 0 3 382.504 3.612 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([O-])c1 ZINC001235679847 1041141339 /nfs/dbraw/zinc/14/13/39/1041141339.db2.gz QGONPSVQJLZRFZ-XXBNENTESA-N 0 3 382.504 3.612 20 10 GHCDHN COc1cc([O-])c(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001236395442 1041698974 /nfs/dbraw/zinc/69/89/74/1041698974.db2.gz JKNPOIXORWTHNH-KRWDZBQOSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1cc(C[N@H+](C)CCC(=O)c2ccccc2)c([O-])cc1Br ZINC001236755205 1041874467 /nfs/dbraw/zinc/87/44/67/1041874467.db2.gz ZTZCAJIMGUKZIS-UHFFFAOYSA-N 0 3 378.266 3.868 20 10 GHCDHN COc1cc(C[N@@H+](C)CCC(=O)c2ccccc2)c([O-])cc1Br ZINC001236755205 1041874473 /nfs/dbraw/zinc/87/44/73/1041874473.db2.gz ZTZCAJIMGUKZIS-UHFFFAOYSA-N 0 3 378.266 3.868 20 10 GHCDHN COc1cc(CN(C)CCC(=O)c2ccccc2)c(O)cc1Br ZINC001236755205 1041874482 /nfs/dbraw/zinc/87/44/82/1041874482.db2.gz ZTZCAJIMGUKZIS-UHFFFAOYSA-N 0 3 378.266 3.868 20 10 GHCDHN COc1ccc(CC[N@H+](C)Cc2cc(O)c(Br)cc2[O-])cc1OC ZINC001236773005 1041883414 /nfs/dbraw/zinc/88/34/14/1041883414.db2.gz MSRRBEACRCEANH-UHFFFAOYSA-N 0 3 396.281 3.552 20 10 GHCDHN COc1ccc(CC[N@@H+](C)Cc2cc(O)c(Br)cc2[O-])cc1OC ZINC001236773005 1041883420 /nfs/dbraw/zinc/88/34/20/1041883420.db2.gz MSRRBEACRCEANH-UHFFFAOYSA-N 0 3 396.281 3.552 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCC[C@H](Oc2ncccn2)C1 ZINC001236782718 1041889087 /nfs/dbraw/zinc/88/90/87/1041889087.db2.gz MQPBKTNITVWIRE-NRFANRHFSA-N 0 3 391.471 3.805 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)c([O-])c1 ZINC001236785404 1041891563 /nfs/dbraw/zinc/89/15/63/1041891563.db2.gz JBSVNCXASYHQNU-UHFFFAOYSA-N 0 3 399.560 3.734 20 10 GHCDHN Oc1ccc(N2CCN(Cc3cc(OCc4ccccc4)ccc3O)CC2)cc1 ZINC001236791581 1041896413 /nfs/dbraw/zinc/89/64/13/1041896413.db2.gz GQKODOMATFICKR-UHFFFAOYSA-N 0 3 390.483 3.999 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c([O-])c1 ZINC001236809455 1041909513 /nfs/dbraw/zinc/90/95/13/1041909513.db2.gz RRIBCGSUHOSSAW-GMAHTHKFSA-N 0 3 382.504 3.716 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c([O-])c1 ZINC001236809455 1041909516 /nfs/dbraw/zinc/90/95/16/1041909516.db2.gz RRIBCGSUHOSSAW-GMAHTHKFSA-N 0 3 382.504 3.716 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c([O-])c1 ZINC001236808813 1041909626 /nfs/dbraw/zinc/90/96/26/1041909626.db2.gz CELDWNDRAXNCRQ-UHFFFAOYSA-N 0 3 394.515 3.506 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001236814999 1041913746 /nfs/dbraw/zinc/91/37/46/1041913746.db2.gz ZJVXJELTPOJWMG-QHCPKHFHSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c([O-])c1 ZINC001236814999 1041913748 /nfs/dbraw/zinc/91/37/48/1041913748.db2.gz ZJVXJELTPOJWMG-QHCPKHFHSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817093 1041914820 /nfs/dbraw/zinc/91/48/20/1041914820.db2.gz BSMGRUIBPGQFHQ-NRFANRHFSA-N 0 3 378.513 3.931 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817093 1041914821 /nfs/dbraw/zinc/91/48/21/1041914821.db2.gz BSMGRUIBPGQFHQ-NRFANRHFSA-N 0 3 378.513 3.931 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CC[C@@](C)(CF)C3)cc2C1 ZINC001236846848 1041926315 /nfs/dbraw/zinc/92/63/15/1041926315.db2.gz LHSQLGIZCMZBNR-NRFANRHFSA-N 0 3 394.487 3.703 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CC[C@@](C)(CF)C3)cc2C1 ZINC001236846848 1041926319 /nfs/dbraw/zinc/92/63/19/1041926319.db2.gz LHSQLGIZCMZBNR-NRFANRHFSA-N 0 3 394.487 3.703 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237050715 1042009747 /nfs/dbraw/zinc/00/97/47/1042009747.db2.gz VKSLDCMLIQKNDH-IIBYNOLFSA-N 0 3 376.497 3.670 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237050715 1042009755 /nfs/dbraw/zinc/00/97/55/1042009755.db2.gz VKSLDCMLIQKNDH-IIBYNOLFSA-N 0 3 376.497 3.670 20 10 GHCDHN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@H]12 ZINC001237054047 1042012237 /nfs/dbraw/zinc/01/22/37/1042012237.db2.gz UFAYIPNAJWVURM-IRXDYDNUSA-N 0 3 377.362 3.745 20 10 GHCDHN O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@H]12 ZINC001237054047 1042012245 /nfs/dbraw/zinc/01/22/45/1042012245.db2.gz UFAYIPNAJWVURM-IRXDYDNUSA-N 0 3 377.362 3.745 20 10 GHCDHN CC(C)N1CC2(CC1=O)CCN(Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237124379 1042051674 /nfs/dbraw/zinc/05/16/74/1042051674.db2.gz AOMZXKAUUAGECA-UHFFFAOYSA-N 0 3 386.414 3.514 20 10 GHCDHN [O-]c1cccc(OC(F)(F)F)c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237126123 1042053928 /nfs/dbraw/zinc/05/39/28/1042053928.db2.gz UUEUXZCSAJDUPZ-GASCZTMLSA-N 0 3 378.394 3.859 20 10 GHCDHN [O-]c1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237126123 1042053931 /nfs/dbraw/zinc/05/39/31/1042053931.db2.gz UUEUXZCSAJDUPZ-GASCZTMLSA-N 0 3 378.394 3.859 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001237135785 1042057747 /nfs/dbraw/zinc/05/77/47/1042057747.db2.gz LZRDMLVGFHXPPL-IBGZPJMESA-N 0 3 392.425 3.694 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001237135785 1042057749 /nfs/dbraw/zinc/05/77/49/1042057749.db2.gz LZRDMLVGFHXPPL-IBGZPJMESA-N 0 3 392.425 3.694 20 10 GHCDHN O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237138006 1042059746 /nfs/dbraw/zinc/05/97/46/1042059746.db2.gz XBGCASKGZSYHRP-IBGZPJMESA-N 0 3 382.426 3.636 20 10 GHCDHN O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237138006 1042059750 /nfs/dbraw/zinc/05/97/50/1042059750.db2.gz XBGCASKGZSYHRP-IBGZPJMESA-N 0 3 382.426 3.636 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCCO[C@H](C(=O)OC)C2)c(O)c1 ZINC001237213863 1042092444 /nfs/dbraw/zinc/09/24/44/1042092444.db2.gz XELBLGZAIMJHHQ-NRFANRHFSA-N 0 3 392.540 3.563 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001237485777 1042229386 /nfs/dbraw/zinc/22/93/86/1042229386.db2.gz LYRMWNZKVHTALH-DEOSSOPVSA-N 0 3 378.516 3.758 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001237485777 1042229389 /nfs/dbraw/zinc/22/93/89/1042229389.db2.gz LYRMWNZKVHTALH-DEOSSOPVSA-N 0 3 378.516 3.758 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1[O-] ZINC001237682693 1042323944 /nfs/dbraw/zinc/32/39/44/1042323944.db2.gz CHZLAPSHJWZCKL-JOCHJYFZSA-N 0 3 399.922 3.764 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1[O-] ZINC001237682693 1042323948 /nfs/dbraw/zinc/32/39/48/1042323948.db2.gz CHZLAPSHJWZCKL-JOCHJYFZSA-N 0 3 399.922 3.764 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684519 1042324564 /nfs/dbraw/zinc/32/45/64/1042324564.db2.gz VEMQGYBDFYJOBX-HNAYVOBHSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684519 1042324567 /nfs/dbraw/zinc/32/45/67/1042324567.db2.gz VEMQGYBDFYJOBX-HNAYVOBHSA-N 0 3 398.341 3.871 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684529 1042325563 /nfs/dbraw/zinc/32/55/63/1042325563.db2.gz VJQGOIKCZKVORZ-RHSMWYFYSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684529 1042325569 /nfs/dbraw/zinc/32/55/69/1042325569.db2.gz VJQGOIKCZKVORZ-RHSMWYFYSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Cl)cc(CN2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001237688324 1042328015 /nfs/dbraw/zinc/32/80/15/1042328015.db2.gz HGJSUCSKVUDKIF-ZDUSSCGKSA-N 0 3 387.789 3.816 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1[O-] ZINC001238060207 1042478685 /nfs/dbraw/zinc/47/86/85/1042478685.db2.gz FLQXCDDDLKLXMG-PWRODBHTSA-N 0 3 386.467 3.573 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1[O-] ZINC001238060207 1042478689 /nfs/dbraw/zinc/47/86/89/1042478689.db2.gz FLQXCDDDLKLXMG-PWRODBHTSA-N 0 3 386.467 3.573 20 10 GHCDHN CN1CCN(Cc2ccc(-c3nnc(-c4ccc(-n5cccc5)cc4)o3)cc2)CC1 ZINC001256988536 1043787729 /nfs/dbraw/zinc/78/77/29/1043787729.db2.gz XTCHOYPKIGEDOY-UHFFFAOYSA-N 0 3 399.498 3.942 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001257798466 1044181757 /nfs/dbraw/zinc/18/17/57/1044181757.db2.gz MQCYPMXFPUCWKP-IERDGZPVSA-N 0 3 376.497 3.757 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@H](O)CO2 ZINC001262052370 1046169892 /nfs/dbraw/zinc/16/98/92/1046169892.db2.gz SKLMYMJEAKIOAW-KSFYIVLOSA-N 0 3 391.471 3.588 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C1)[C@H](O)CO2 ZINC001262052370 1046169901 /nfs/dbraw/zinc/16/99/01/1046169901.db2.gz SKLMYMJEAKIOAW-KSFYIVLOSA-N 0 3 391.471 3.588 20 10 GHCDHN [O-]c1cc(O)c(C[N@@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)cc1Cl ZINC001279572272 1047842655 /nfs/dbraw/zinc/84/26/55/1047842655.db2.gz GEDMSGJQFWLDFW-UHFFFAOYSA-N 0 3 392.849 3.992 20 10 GHCDHN [O-]c1cc(O)c(C[N@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)cc1Cl ZINC001279572272 1047842666 /nfs/dbraw/zinc/84/26/66/1047842666.db2.gz GEDMSGJQFWLDFW-UHFFFAOYSA-N 0 3 392.849 3.992 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3c2cccc3Cl)N(C)C)cc1 ZINC001463282758 1070961657 /nfs/dbraw/zinc/96/16/57/1070961657.db2.gz PKUAOIKHNGVFCE-FPOVZHCZSA-N 0 3 385.939 3.855 20 10 GHCDHN Cc1ccc(Cl)c(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001463286489 1070963977 /nfs/dbraw/zinc/96/39/77/1070963977.db2.gz VXRGIQAKWZMARK-IBGZPJMESA-N 0 3 389.927 3.512 20 10 GHCDHN COc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1Cn1cccn1 ZINC001308228294 1049919929 /nfs/dbraw/zinc/91/99/29/1049919929.db2.gz LEMGNFHKGHWUDM-DHIUTWEWSA-N 0 3 377.488 3.950 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000757998514 1051789339 /nfs/dbraw/zinc/78/93/39/1051789339.db2.gz NIZPHNYDXOUTAE-JCGIZDLHSA-N 0 3 376.497 3.526 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000757998514 1051789344 /nfs/dbraw/zinc/78/93/44/1051789344.db2.gz NIZPHNYDXOUTAE-JCGIZDLHSA-N 0 3 376.497 3.526 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(Oc4ccccc4)CC3)cc2F)CC1 ZINC001335499476 1052116302 /nfs/dbraw/zinc/11/63/02/1052116302.db2.gz GNVQIDVFFHXZPC-UHFFFAOYSA-N 0 3 383.511 3.621 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](c2ccccc2)C2CC2)N(C)C)cc1 ZINC001311443886 1052153657 /nfs/dbraw/zinc/15/36/57/1052153657.db2.gz GVDYWYTWLJJQOA-YADHBBJMSA-N 0 3 380.536 3.806 20 10 GHCDHN Cc1cccc2c1CC[C@@H]2NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311915969 1052473425 /nfs/dbraw/zinc/47/34/25/1052473425.db2.gz XVZBZZQAFNKKSJ-FCHUYYIVSA-N 0 3 380.536 3.650 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(Cl)cc2F)N(C)C)cc1 ZINC001312557479 1052789979 /nfs/dbraw/zinc/78/99/79/1052789979.db2.gz KWCSPHVJIRHMNW-IBGZPJMESA-N 0 3 392.906 3.647 20 10 GHCDHN Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001312952877 1052919744 /nfs/dbraw/zinc/91/97/44/1052919744.db2.gz KWUWMFWRWUPHBQ-VXKWHMMOSA-N 0 3 380.536 3.650 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1[O-] ZINC000848513056 1057142322 /nfs/dbraw/zinc/14/23/22/1057142322.db2.gz CTTCNEDBMSLKPG-YPMHNXCESA-N 0 3 394.265 3.654 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCc2cccc3c2OCO3)c1O ZINC000848523919 1057148178 /nfs/dbraw/zinc/14/81/78/1057148178.db2.gz OCGLZSNUZNPMBM-SNVBAGLBSA-N 0 3 380.238 3.743 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCn2cnc3ccccc32)c1[O-] ZINC000848526223 1057150183 /nfs/dbraw/zinc/15/01/83/1057150183.db2.gz USZRSTRYOJSYMJ-LBPRGKRZSA-N 0 3 390.281 3.864 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1[O-] ZINC000848532266 1057153383 /nfs/dbraw/zinc/15/33/83/1057153383.db2.gz BPOASSLAYNHKIO-UHIISALHSA-N 0 3 384.270 3.919 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000848547077 1057167665 /nfs/dbraw/zinc/16/76/65/1057167665.db2.gz JIIBMBDJLXNFGN-CZUORRHYSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000848553383 1057173925 /nfs/dbraw/zinc/17/39/25/1057173925.db2.gz LEEFJJXSGXSVOQ-NHYWBVRUSA-N 0 3 398.272 3.557 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1[O-] ZINC000848921987 1057424400 /nfs/dbraw/zinc/42/44/00/1057424400.db2.gz KSSNIWBNQYJHJY-INIZCTEOSA-N 0 3 375.266 3.506 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)N(C)C)cc1 ZINC001439960807 1058366447 /nfs/dbraw/zinc/36/64/47/1058366447.db2.gz OKPZDXZUIWAHKB-LSQMVHIFSA-N 0 3 391.559 3.766 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001439960929 1058368927 /nfs/dbraw/zinc/36/89/27/1058368927.db2.gz OQAJQQCKPFAINK-REWPJTCUSA-N 0 3 379.548 3.982 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3ccccc3c2)N(C)C)cc1 ZINC001439961638 1058369074 /nfs/dbraw/zinc/36/90/74/1058369074.db2.gz RRPDQRSOKUOQJO-QHCPKHFHSA-N 0 3 375.516 3.867 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1C ZINC001450420730 1060593534 /nfs/dbraw/zinc/59/35/34/1060593534.db2.gz XAAQRTIKVLAIOE-MRXNPFEDSA-N 0 3 393.531 3.771 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2N2CCCC2)N(C)C)cc1 ZINC001465026453 1065335978 /nfs/dbraw/zinc/33/59/78/1065335978.db2.gz WMQOCFRPEYUNFO-QFIPXVFZSA-N 0 3 395.551 3.777 20 10 GHCDHN Cc1occc1-c1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC001466438493 1066155410 /nfs/dbraw/zinc/15/54/10/1066155410.db2.gz ZZYOYCMZZYPXDV-GOSISDBHSA-N 0 3 397.479 3.733 20 10 GHCDHN CSc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001478464055 1078878134 /nfs/dbraw/zinc/87/81/34/1078878134.db2.gz XZSUHKFSUFEEKA-HXUWFJFHSA-N 0 3 386.565 3.577 20 10 GHCDHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1OC ZINC001471141236 1072938716 /nfs/dbraw/zinc/93/87/16/1072938716.db2.gz LEUIBQBCWBCMQS-SFTDATJTSA-N 0 3 398.551 3.814 20 10 GHCDHN COC[C@@H](NCc1cc(C)cc(OC)c1O)c1cccc(Br)c1 ZINC001474674297 1074509214 /nfs/dbraw/zinc/50/92/14/1074509214.db2.gz CTFLUNIXEJPOOC-MRXNPFEDSA-N 0 3 380.282 3.949 20 10 GHCDHN CC(=O)Nc1cc(Br)ccc1CNCc1ccc(N(C)C)cc1 ZINC000892476894 835945427 /nfs/dbraw/zinc/94/54/27/835945427.db2.gz YHZYKSIPOCSMDN-UHFFFAOYSA-N 0 3 376.298 3.763 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000176121305 844188668 /nfs/dbraw/zinc/18/86/68/844188668.db2.gz JTFQEYYXGOSPJT-MUUNZHRXSA-N 0 3 397.496 3.701 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000176121305 844188672 /nfs/dbraw/zinc/18/86/72/844188672.db2.gz JTFQEYYXGOSPJT-MUUNZHRXSA-N 0 3 397.496 3.701 20 10 GHCDHN COC(=O)c1cc2ccccc2c(CN(C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000176121305 844188676 /nfs/dbraw/zinc/18/86/76/844188676.db2.gz JTFQEYYXGOSPJT-MUUNZHRXSA-N 0 3 397.496 3.701 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN(CCc2ccccc2F)C2CCCC2)cc1 ZINC001167248743 837031805 /nfs/dbraw/zinc/03/18/05/837031805.db2.gz ZKWUJRJFOROBSD-UHFFFAOYSA-N 0 3 397.538 3.995 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471530819 838753628 /nfs/dbraw/zinc/75/36/28/838753628.db2.gz SGTMSVUYPYRDCF-LJQANCHMSA-N 0 3 376.504 3.560 20 10 GHCDHN C[C@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C1=CCN(C)CC1 ZINC000276190310 841351086 /nfs/dbraw/zinc/35/10/86/841351086.db2.gz UTABDCKCNQNTFL-VTXMHGDESA-N 0 3 391.475 3.807 20 10 GHCDHN Cc1ccc2c(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123316341 841744487 /nfs/dbraw/zinc/74/44/87/841744487.db2.gz QHXRBUUOABUGTB-KRWDZBQOSA-N 0 3 378.472 3.789 20 10 GHCDHN COc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846991 861905854 /nfs/dbraw/zinc/90/58/54/861905854.db2.gz AEEGLLNJVXWODT-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846991 861905860 /nfs/dbraw/zinc/90/58/60/861905860.db2.gz AEEGLLNJVXWODT-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN CCOc1cccc(CNCC(=O)Nc2ccc(Br)c(C)c2)c1O ZINC000732230801 862162620 /nfs/dbraw/zinc/16/26/20/862162620.db2.gz APXSLIUBQVDFNV-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000729475505 853225843 /nfs/dbraw/zinc/22/58/43/853225843.db2.gz WZFWQCUDKLXQEM-HSZRJFAPSA-N 0 3 383.511 3.981 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1cc(F)ccc1[O-] ZINC000760042142 855824512 /nfs/dbraw/zinc/82/45/12/855824512.db2.gz SZPUMYMFTPCXJG-TZMCWYRMSA-N 0 3 382.273 3.796 20 10 GHCDHN CC(=O)Nc1ccccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000160453979 858919367 /nfs/dbraw/zinc/91/93/67/858919367.db2.gz XTDPHXYJDUGKKZ-IBGZPJMESA-N 0 3 387.911 3.758 20 10 GHCDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761198717 859063279 /nfs/dbraw/zinc/06/32/79/859063279.db2.gz SRZNTDXETGCIFA-GOSISDBHSA-N 0 3 390.911 3.624 20 10 GHCDHN CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856560988 881456478 /nfs/dbraw/zinc/45/64/78/881456478.db2.gz RTQBFOQJXQDDGK-IBGZPJMESA-N 0 3 389.927 3.934 20 10 GHCDHN CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856560988 881456469 /nfs/dbraw/zinc/45/64/69/881456469.db2.gz RTQBFOQJXQDDGK-IBGZPJMESA-N 0 3 389.927 3.934 20 10 GHCDHN CCOc1ccccc1[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765252827 859868179 /nfs/dbraw/zinc/86/81/79/859868179.db2.gz JEFQTPKTEJXLHZ-HKUYNNGSSA-N 0 3 381.520 3.638 20 10 GHCDHN COc1ccc2c(c1)nccc2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765472913 859990631 /nfs/dbraw/zinc/99/06/31/859990631.db2.gz SGSOMGXCVSWKHY-KRWDZBQOSA-N 0 3 390.487 3.557 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3ccc4c(c3)CC(C)(C)O4)cc2F)CC1 ZINC000730108213 860866666 /nfs/dbraw/zinc/86/66/66/860866666.db2.gz HKKAYWLBJRJLLA-UHFFFAOYSA-N 0 3 397.538 3.971 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3cnc4ccccc4c3)cc2F)CC1 ZINC000730108981 860875803 /nfs/dbraw/zinc/87/58/03/860875803.db2.gz XUDOWQFYWCOYDV-UHFFFAOYSA-N 0 3 378.495 3.806 20 10 GHCDHN COc1ccc(C(=O)Nc2cccc(CNCc3cc(OC)ccc3O)c2)cc1 ZINC000114506276 881628421 /nfs/dbraw/zinc/62/84/21/881628421.db2.gz NWVNMBNTCCONRA-UHFFFAOYSA-N 0 3 392.455 3.952 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000063144893 864214773 /nfs/dbraw/zinc/21/47/73/864214773.db2.gz QMAAUHZGDPSXOH-UHFFFAOYSA-N 0 3 396.604 3.724 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)c1[O-] ZINC000740007464 865825018 /nfs/dbraw/zinc/82/50/18/865825018.db2.gz SSRLTEBBTUYXDW-KZULUSFZSA-N 0 3 386.330 3.830 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)c([O-])c1 ZINC000793387320 882162553 /nfs/dbraw/zinc/16/25/53/882162553.db2.gz CXSLHRPIIVHGCI-LBPRGKRZSA-N 0 3 393.281 3.670 20 10 GHCDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000793518923 882238225 /nfs/dbraw/zinc/23/82/25/882238225.db2.gz ODJQTDUDIXZKNZ-NRFANRHFSA-N 0 3 392.503 3.530 20 10 GHCDHN COc1cc(N2CCN(c3ccnc4ccccc43)CC2)cc(OC)c1OC ZINC000183997514 868940961 /nfs/dbraw/zinc/94/09/61/868940961.db2.gz KDFUJVAROMNQCY-UHFFFAOYSA-N 0 3 379.460 3.587 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000182320863 872199145 /nfs/dbraw/zinc/19/91/45/872199145.db2.gz YSIZWNNXWZGZGX-OAHLLOKOSA-N 0 3 380.444 3.775 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1[O-] ZINC000769930944 874374019 /nfs/dbraw/zinc/37/40/19/874374019.db2.gz QSUZCBFUEYDBEQ-SCLBCKFNSA-N 0 3 393.325 3.944 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)CC1 ZINC000770144116 874496133 /nfs/dbraw/zinc/49/61/33/874496133.db2.gz QKSRVLYXANUKGM-UHFFFAOYSA-N 0 3 388.855 3.642 20 10 GHCDHN Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386012 874611879 /nfs/dbraw/zinc/61/18/79/874611879.db2.gz LXKJVBRXMBBJBT-FYYLOGMGSA-N 0 3 377.488 3.881 20 10 GHCDHN Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386012 874611885 /nfs/dbraw/zinc/61/18/85/874611885.db2.gz LXKJVBRXMBBJBT-FYYLOGMGSA-N 0 3 377.488 3.881 20 10 GHCDHN OCCCN(Cc1cccc(Cl)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000770349695 874635069 /nfs/dbraw/zinc/63/50/69/874635069.db2.gz MUHRZXREQPIKBO-UHFFFAOYSA-N 0 3 392.902 3.700 20 10 GHCDHN C[C@H]1CN(Cc2cccc(CNCc3cc(F)c(N(C)C)cc3F)c2)CCO1 ZINC000858107909 882852298 /nfs/dbraw/zinc/85/22/98/882852298.db2.gz LYZQSCICJBQGFV-INIZCTEOSA-N 0 3 389.490 3.541 20 10 GHCDHN COc1ccccc1[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccco1 ZINC000771845972 875484191 /nfs/dbraw/zinc/48/41/91/875484191.db2.gz KXPVAMJRPLQFCB-DEOSSOPVSA-N 0 3 391.515 3.919 20 10 GHCDHN O=C(NCCCSc1nccs1)NC[C@H](c1cccs1)N1CCCC1 ZINC000151708162 875804674 /nfs/dbraw/zinc/80/46/74/875804674.db2.gz VAXKAPNMCAMMAX-CQSZACIVSA-N 0 3 396.607 3.823 20 10 GHCDHN C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000151809239 875973744 /nfs/dbraw/zinc/97/37/44/875973744.db2.gz LRUXUHAHLVXQRT-IERDGZPVSA-N 0 3 399.922 3.633 20 10 GHCDHN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000151809092 875973866 /nfs/dbraw/zinc/97/38/66/875973866.db2.gz LRUXUHAHLVXQRT-IIBYNOLFSA-N 0 3 399.922 3.633 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3cc(OC)ccc3OC(F)F)C2)cc1 ZINC000850347408 876839046 /nfs/dbraw/zinc/83/90/46/876839046.db2.gz RUVGWPCVHCIUHX-HNNXBMFYSA-N 0 3 378.419 3.674 20 10 GHCDHN Oc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cc(C(F)(F)F)c1 ZINC000850406890 876888684 /nfs/dbraw/zinc/88/86/84/876888684.db2.gz YBDBRBIUMPQZCS-UHFFFAOYSA-N 0 3 380.410 3.662 20 10 GHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(-n4cncn4)cc3Cl)C2)cc1 ZINC000850489426 876965960 /nfs/dbraw/zinc/96/59/60/876965960.db2.gz UEFFXQYSLZRRIE-HZPDHXFCSA-N 0 3 397.910 3.859 20 10 GHCDHN C[C@@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000850490426 876968693 /nfs/dbraw/zinc/96/86/93/876968693.db2.gz BHJUZEZZKHRQJZ-YMXBGEKHSA-N 0 3 380.451 3.778 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)c1[O-] ZINC000850582891 877056635 /nfs/dbraw/zinc/05/66/35/877056635.db2.gz HFFMSBFROWYFTM-PRXAMGSTSA-N 0 3 380.282 3.936 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000789901263 879347025 /nfs/dbraw/zinc/34/70/25/879347025.db2.gz HAARRUJIHRFPCJ-HSZRJFAPSA-N 0 3 396.579 3.847 20 10 GHCDHN O=C1[C@@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)CCCN1Cc1ccccc1 ZINC000790313730 879591019 /nfs/dbraw/zinc/59/10/19/879591019.db2.gz BVXYVZQBRKGSGC-VXKWHMMOSA-N 0 3 394.515 3.564 20 10 GHCDHN O=C1[C@H](N(Cc2ccccc2O)C[C@H]2CCCO2)CCCN1Cc1ccccc1 ZINC000790313729 879591083 /nfs/dbraw/zinc/59/10/83/879591083.db2.gz BVXYVZQBRKGSGC-FGZHOGPDSA-N 0 3 394.515 3.564 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000854245936 879656850 /nfs/dbraw/zinc/65/68/50/879656850.db2.gz MZCMGNNPBBSHKD-HNNXBMFYSA-N 0 3 398.345 3.559 20 10 GHCDHN O=C(NCc1ccncc1)Nc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000113355224 880521774 /nfs/dbraw/zinc/52/17/74/880521774.db2.gz BNILVXGHEROASD-UHFFFAOYSA-N 0 3 388.471 3.628 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c1[O-] ZINC000858480128 883132449 /nfs/dbraw/zinc/13/24/49/883132449.db2.gz LPAXEUJOMSGNCN-PWSUYJOCSA-N 0 3 393.272 3.543 20 10 GHCDHN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CCN2C(C)(C)C)CCCC1 ZINC001130898467 885340852 /nfs/dbraw/zinc/34/08/52/885340852.db2.gz SDGDSRJISPUKOJ-MRXNPFEDSA-N 0 3 383.536 3.518 20 10 GHCDHN CCCN(CCC)c1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1 ZINC000915227596 886068991 /nfs/dbraw/zinc/06/89/91/886068991.db2.gz FXJJDCUPFCCZQK-UHFFFAOYSA-N 0 3 382.552 3.834 20 10 GHCDHN COc1cc(O)c(CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000862535912 886439356 /nfs/dbraw/zinc/43/93/56/886439356.db2.gz BQGKXKWGOPXTSK-OAHLLOKOSA-N 0 3 386.275 3.930 20 10 GHCDHN COC(=O)N1CCC(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000809709679 887728252 /nfs/dbraw/zinc/72/82/52/887728252.db2.gz GEOVSSNRHRQWTC-UHFFFAOYSA-N 0 3 384.476 3.539 20 10 GHCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(C)cc1[O-] ZINC000794794814 888056727 /nfs/dbraw/zinc/05/67/27/888056727.db2.gz GGQGRUXECZQSTI-KRWDZBQOSA-N 0 3 391.309 3.934 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nccc2ccccc21 ZINC000810211295 888289432 /nfs/dbraw/zinc/28/94/32/888289432.db2.gz PIRHVXVDFQWYGD-FXAWDEMLSA-N 0 3 388.515 3.787 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C[C@@H]1C(F)(F)F ZINC001168515518 889609907 /nfs/dbraw/zinc/60/99/07/889609907.db2.gz SMWRCQCWKMQVRZ-SWLSCSKDSA-N 0 3 390.402 3.518 20 10 GHCDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000122590950 889937404 /nfs/dbraw/zinc/93/74/04/889937404.db2.gz VMDRRVUXVINLBD-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN COCCCN(C(=O)c1cc(C)n(-c2ccccc2C)c1C)C1CCN(C)CC1 ZINC000811945477 890139161 /nfs/dbraw/zinc/13/91/61/890139161.db2.gz CUTDBVUOENMUGP-UHFFFAOYSA-N 0 3 397.563 3.975 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000795099952 890244913 /nfs/dbraw/zinc/24/49/13/890244913.db2.gz NFAKGNDTBJKYKN-KBXCAEBGSA-N 0 3 392.471 3.565 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1Cn1cccn1 ZINC000873014425 891428607 /nfs/dbraw/zinc/42/86/07/891428607.db2.gz QXTKJGQPGVYEJP-INIZCTEOSA-N 0 3 390.487 3.676 20 10 GHCDHN COc1cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000825710744 891963944 /nfs/dbraw/zinc/96/39/44/891963944.db2.gz ZNYZCHGGBVFJHO-YVEFUNNKSA-N 0 3 375.431 3.834 20 10 GHCDHN O=C(N[C@H]1C[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1)OCc1ccccc1 ZINC000814177345 892341701 /nfs/dbraw/zinc/34/17/01/892341701.db2.gz YZSFMPHCESSSQW-SFTDATJTSA-N 0 3 380.488 3.919 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCCO1 ZINC000876531408 893216912 /nfs/dbraw/zinc/21/69/12/893216912.db2.gz FOCKTCGJYVJBKU-HSZRJFAPSA-N 0 3 396.531 3.535 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCCO1 ZINC000876531408 893216930 /nfs/dbraw/zinc/21/69/30/893216930.db2.gz FOCKTCGJYVJBKU-HSZRJFAPSA-N 0 3 396.531 3.535 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000918206449 893356443 /nfs/dbraw/zinc/35/64/43/893356443.db2.gz HNYUBUYLDQVGLZ-UHFFFAOYSA-N 0 3 394.563 3.780 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc3cc(Cl)ccc32)N(C)C)cc1 ZINC001134881604 893472686 /nfs/dbraw/zinc/47/26/86/893472686.db2.gz AWPOYANEIJBWPT-NRFANRHFSA-N 0 3 396.922 3.987 20 10 GHCDHN NC(=O)C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1ccccc1 ZINC000815153143 893490986 /nfs/dbraw/zinc/49/09/86/893490986.db2.gz CIAYGOQJKOWWKG-HSZRJFAPSA-N 0 3 385.511 3.956 20 10 GHCDHN COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCCO ZINC000127622150 894942731 /nfs/dbraw/zinc/94/27/31/894942731.db2.gz FTVKTXKTNJZEQC-SFHVURJKSA-N 0 3 384.520 3.907 20 10 GHCDHN COc1cc(Br)cc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000816657099 895000171 /nfs/dbraw/zinc/00/01/71/895000171.db2.gz KGEMRRPWFRMSOK-QGZVFWFLSA-N 0 3 382.298 3.554 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)CC1 ZINC000817444442 895640835 /nfs/dbraw/zinc/64/08/35/895640835.db2.gz DFVJTKCGORWPER-UHFFFAOYSA-N 0 3 382.464 3.606 20 10 GHCDHN c1ncn(-c2ccc(CNCc3ccc4c(c3)CCN4Cc3ccccc3)cn2)n1 ZINC000796264540 914031958 /nfs/dbraw/zinc/03/19/58/914031958.db2.gz XRQJLANHLXKFAS-UHFFFAOYSA-N 0 3 396.498 3.515 20 10 GHCDHN CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)C[C@H]2C1 ZINC000818332359 896116741 /nfs/dbraw/zinc/11/67/41/896116741.db2.gz MCGIIUCSMPKABK-LEEVSCAKSA-N 0 3 378.944 3.803 20 10 GHCDHN CN(C)c1ccc(CN(C)Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC001136847934 899507983 /nfs/dbraw/zinc/50/79/83/899507983.db2.gz NQWFLCOTQNAERF-UHFFFAOYSA-N 0 3 377.282 3.876 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824953495 899904958 /nfs/dbraw/zinc/90/49/58/899904958.db2.gz KTEJOEJPXHODPF-HOTGVXAUSA-N 0 3 393.281 3.568 20 10 GHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112254 899984849 /nfs/dbraw/zinc/98/48/49/899984849.db2.gz SDFJUJKIGOVVGD-IAGOWNOFSA-N 0 3 390.524 3.870 20 10 GHCDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000825112254 899984855 /nfs/dbraw/zinc/98/48/55/899984855.db2.gz SDFJUJKIGOVVGD-IAGOWNOFSA-N 0 3 390.524 3.870 20 10 GHCDHN O[C@@H]([C@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1)C(F)(F)F ZINC000825124431 899993790 /nfs/dbraw/zinc/99/37/90/899993790.db2.gz PWBKJHYRPCDNRR-FPOVZHCZSA-N 0 3 390.449 3.994 20 10 GHCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1O ZINC000846155662 902725455 /nfs/dbraw/zinc/72/54/55/902725455.db2.gz BXRBUCUTOHVKFC-BDJLRTHQSA-N 0 3 378.831 3.649 20 10 GHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000779065390 903793348 /nfs/dbraw/zinc/79/33/48/903793348.db2.gz QSTFIARFTVJGEZ-IBGZPJMESA-N 0 3 386.467 3.773 20 10 GHCDHN C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773234483 904600812 /nfs/dbraw/zinc/60/08/12/904600812.db2.gz BHELNWJRMXEVPA-NQIIRXRSSA-N 0 3 380.536 3.777 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)Nc3ccccc3O)CC2)c1O ZINC000184675691 907635438 /nfs/dbraw/zinc/63/54/38/907635438.db2.gz LBBMZMXXHWNCET-UHFFFAOYSA-N 0 3 390.867 3.611 20 10 GHCDHN COc1cc(C)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)n1 ZINC001177811164 908765824 /nfs/dbraw/zinc/76/58/24/908765824.db2.gz VBNVNNYSXCRKHB-GOSISDBHSA-N 0 3 389.927 3.820 20 10 GHCDHN CN(C)C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000801736954 921438559 /nfs/dbraw/zinc/43/85/59/921438559.db2.gz YGUDTCHGPLGDFM-FQEVSTJZSA-N 0 3 391.918 3.708 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3cnc(-c4ccco4)s3)cc2)CC1 ZINC000193037590 908845279 /nfs/dbraw/zinc/84/52/79/908845279.db2.gz CNLPWJCNABCMKG-UHFFFAOYSA-N 0 3 383.517 3.902 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccn2Cc2cccs2)N(C)C)cc1 ZINC001180178561 909975693 /nfs/dbraw/zinc/97/56/93/909975693.db2.gz CTQXBZQEYOVUMS-OAQYLSRUSA-N 0 3 396.560 3.697 20 10 GHCDHN OC1CCN(c2ccc(CN3CC[C@@H](Oc4ccccc4Cl)C3)cc2)CC1 ZINC001180219024 910021027 /nfs/dbraw/zinc/02/10/27/910021027.db2.gz IQDYISLOEKJSLP-HXUWFJFHSA-N 0 3 386.923 3.954 20 10 GHCDHN C[C@H](NCc1ccccc1Cn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268795260 910021271 /nfs/dbraw/zinc/02/12/71/910021271.db2.gz ZRXLRNRORBJRHN-SFHVURJKSA-N 0 3 394.494 3.758 20 10 GHCDHN COc1cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC001182086517 911156089 /nfs/dbraw/zinc/15/60/89/911156089.db2.gz JJKMJMQCIKOYFK-OFNKIYASSA-N 0 3 387.495 3.998 20 10 GHCDHN COC(=O)c1coc([C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000774209637 911495438 /nfs/dbraw/zinc/49/54/38/911495438.db2.gz NUMXRSPKCPCXKJ-HIFRSBDPSA-N 0 3 394.418 3.987 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000283713352 911623093 /nfs/dbraw/zinc/62/30/93/911623093.db2.gz UIIUTDRSJJKZQP-UHFFFAOYSA-N 0 3 391.556 3.593 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000774484762 911791997 /nfs/dbraw/zinc/79/19/97/911791997.db2.gz SDRPWXHITMNPOH-IRXDYDNUSA-N 0 3 394.519 3.557 20 10 GHCDHN CC(C)CNC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775256400 916638631 /nfs/dbraw/zinc/63/86/31/916638631.db2.gz XDPDRCLFODYHDP-LJQANCHMSA-N 0 3 395.547 3.760 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1-c1ccccc1 ZINC000281176622 919586495 /nfs/dbraw/zinc/58/64/95/919586495.db2.gz IILBDTVUTXRRLS-IBGZPJMESA-N 0 3 390.531 3.932 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000748245593 923527894 /nfs/dbraw/zinc/52/78/94/923527894.db2.gz BIERNIRUECLOGY-INIZCTEOSA-N 0 3 382.302 3.774 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000827899063 926225788 /nfs/dbraw/zinc/22/57/88/926225788.db2.gz ZDICTZFDUARZHV-UHFFFAOYSA-N 0 3 397.393 3.783 20 10 GHCDHN CC1(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)OCCO1 ZINC000753547387 929406488 /nfs/dbraw/zinc/40/64/88/929406488.db2.gz PUZBHQVEAKDZNF-UHFFFAOYSA-N 0 3 383.488 3.946 20 10 GHCDHN O=C(NCCCSc1nccs1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000759537637 930396091 /nfs/dbraw/zinc/39/60/91/930396091.db2.gz FNSKFENZCQUFKS-QGZVFWFLSA-N 0 3 390.578 3.762 20 10 GHCDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1(C)C ZINC000783724447 931631356 /nfs/dbraw/zinc/63/13/56/931631356.db2.gz XFPHOKAGZMALFU-GGAORHGYSA-N 0 3 385.504 3.627 20 10 GHCDHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001221172970 1032317253 /nfs/dbraw/zinc/31/72/53/1032317253.db2.gz KBBYSBNTXCSPRO-XPGWFJOJSA-N 0 3 384.524 3.571 20 10 GHCDHN [O-]c1ccc(Br)cc1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236268771 1032592645 /nfs/dbraw/zinc/59/26/45/1032592645.db2.gz GJEHHULXPRJRJG-SFHVURJKSA-N 0 3 375.310 3.909 20 10 GHCDHN CCOC[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2cn(C)nc21 ZINC001204235312 1032680740 /nfs/dbraw/zinc/68/07/40/1032680740.db2.gz LPGZURUCJXPMKB-IBGZPJMESA-N 0 3 378.520 3.775 20 10 GHCDHN CN(C)c1ccc(CN2CCCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC001204240169 1032684828 /nfs/dbraw/zinc/68/48/28/1032684828.db2.gz KAMWQDNOEOXQAG-UHFFFAOYSA-N 0 3 377.488 3.847 20 10 GHCDHN O=C1N[C@@H](c2ccccc2)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204327238 1032769867 /nfs/dbraw/zinc/76/98/67/1032769867.db2.gz MQAJRCJTNJPWRV-QFIPXVFZSA-N 0 3 375.516 3.740 20 10 GHCDHN COc1cc(Br)cc(CN2CC[C@@H](Oc3ccncc3C)C2)c1O ZINC001204340277 1032781015 /nfs/dbraw/zinc/78/10/15/1032781015.db2.gz KJFBMAAWUJJASV-OAHLLOKOSA-N 0 3 393.281 3.520 20 10 GHCDHN COc1ccc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c(O)c1OC ZINC001204410833 1032837169 /nfs/dbraw/zinc/83/71/69/1032837169.db2.gz INVXZYFHCTXTGY-GOSISDBHSA-N 0 3 399.491 3.586 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000834685083 1021367658 /nfs/dbraw/zinc/36/76/58/1021367658.db2.gz HGYHKSGVEGWPJG-RHSMWYFYSA-N 0 3 381.394 3.719 20 10 GHCDHN COCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000834794428 1021484735 /nfs/dbraw/zinc/48/47/35/1021484735.db2.gz XNUFXVGBOQXPNE-KRWDZBQOSA-N 0 3 390.524 3.633 20 10 GHCDHN CC(=O)OCc1cccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000903073584 1021572875 /nfs/dbraw/zinc/57/28/75/1021572875.db2.gz PGENGRLMMOFCJM-MRXNPFEDSA-N 0 3 386.467 3.576 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1ccccc1[O-] ZINC000834900704 1021645580 /nfs/dbraw/zinc/64/55/80/1021645580.db2.gz SLHUJONYMOCWDP-CHWSQXEVSA-N 0 3 382.273 3.796 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c2c1c(F)ccc2[O-] ZINC000834904863 1021656070 /nfs/dbraw/zinc/65/60/70/1021656070.db2.gz SJQJKPDNLPMGQP-FMKPAKJESA-N 0 3 394.487 3.695 20 10 GHCDHN CN(c1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1)C1CCCCC1 ZINC000827820755 1022349658 /nfs/dbraw/zinc/34/96/58/1022349658.db2.gz DBFKTWCWVJDEGM-AWRGLXIESA-N 0 3 399.579 3.604 20 10 GHCDHN Cc1c(O)ccc(CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1O ZINC001140749468 1022427331 /nfs/dbraw/zinc/42/73/31/1022427331.db2.gz AZMWAPCRBFWBAJ-UHFFFAOYSA-N 0 3 386.492 3.933 20 10 GHCDHN Cc1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c(O)c1 ZINC001140952048 1022979873 /nfs/dbraw/zinc/97/98/73/1022979873.db2.gz CMUFKSNPYCGABA-JTHBVZDNSA-N 0 3 382.504 3.684 20 10 GHCDHN Clc1cc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)ncn1 ZINC001141076002 1023439305 /nfs/dbraw/zinc/43/93/05/1023439305.db2.gz JDPOPQHLZNJXMW-UHFFFAOYSA-N 0 3 398.938 3.872 20 10 GHCDHN c1csc(CN2C[C@H]3C[C@@H](C2)N(Cc2cc4c5c(c2)CCCN5CCC4)C3)n1 ZINC001141076249 1023439310 /nfs/dbraw/zinc/43/93/10/1023439310.db2.gz OGXUOLBLXNZNFE-NQIIRXRSSA-N 0 3 394.588 3.548 20 10 GHCDHN C[C@@](O)(C1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1)C(F)(F)F ZINC001141078459 1023444121 /nfs/dbraw/zinc/44/41/21/1023444121.db2.gz WQCBAAKKMKOMEI-HXUWFJFHSA-N 0 3 382.470 3.911 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756344336 1023598361 /nfs/dbraw/zinc/59/83/61/1023598361.db2.gz QBUHCGQWELXINT-PBHICJAKSA-N 0 3 379.957 3.746 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c2c1c(F)ccc2[O-] ZINC000756420962 1023639370 /nfs/dbraw/zinc/63/93/70/1023639370.db2.gz XPEKBSVMMJCGIF-LUXYFRNMSA-N 0 3 385.483 3.878 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756455319 1023660872 /nfs/dbraw/zinc/66/08/72/1023660872.db2.gz JQCATXMVADJRMM-BJZITVGISA-N 0 3 398.478 3.778 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2ccc3c(c2)CCO3)cc1 ZINC000756516986 1023693175 /nfs/dbraw/zinc/69/31/75/1023693175.db2.gz VBFDYXXLQZTNBG-RBBKRZOGSA-N 0 3 385.529 3.805 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756594538 1023727475 /nfs/dbraw/zinc/72/74/75/1023727475.db2.gz PDHMJWMPFAJOCW-BEKAIBRUSA-N 0 3 384.495 3.552 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756599204 1023729505 /nfs/dbraw/zinc/72/95/05/1023729505.db2.gz XVDITRSNIULNHL-UUWFMWQGSA-N 0 3 381.451 3.508 20 10 GHCDHN COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1=O ZINC000756901381 1023852886 /nfs/dbraw/zinc/85/28/86/1023852886.db2.gz KTFODQFWXSFLAY-FQEVSTJZSA-N 0 3 388.467 3.963 20 10 GHCDHN NC(=O)c1ccc(OC2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC001138221014 1024394086 /nfs/dbraw/zinc/39/40/86/1024394086.db2.gz WXAJRGZWPUNKIO-UHFFFAOYSA-N 0 3 393.531 3.819 20 10 GHCDHN CN1CCCc2cc(CN3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)ccc21 ZINC001138357579 1024722066 /nfs/dbraw/zinc/72/20/66/1024722066.db2.gz SBWRWCUIRVHVFC-QFIPXVFZSA-N 0 3 389.543 3.565 20 10 GHCDHN C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000838782958 1025362901 /nfs/dbraw/zinc/36/29/01/1025362901.db2.gz GETCGIPODVPIFH-KNQAVFIVSA-N 0 3 396.531 3.799 20 10 GHCDHN C[C@@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000838782958 1025362915 /nfs/dbraw/zinc/36/29/15/1025362915.db2.gz GETCGIPODVPIFH-KNQAVFIVSA-N 0 3 396.531 3.799 20 10 GHCDHN COc1cc(N2CCN(CC3CCC(F)(F)CC3)CC2)cc(OC)c1OC ZINC000838934816 1025455581 /nfs/dbraw/zinc/45/55/81/1025455581.db2.gz ZFCVUPWPLUFIPS-UHFFFAOYSA-N 0 3 384.467 3.660 20 10 GHCDHN C[C@@H]1CN(c2ccc(CN(C)Cc3ccc(N4CCCC4)cc3)cn2)C[C@@H](C)O1 ZINC001139380555 1026248192 /nfs/dbraw/zinc/24/81/92/1026248192.db2.gz KLMINHVZHONRNH-WOJBJXKFSA-N 0 3 394.563 3.927 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cc(F)cc4cc[nH]c43)CC2)cc1 ZINC001164333944 1026489213 /nfs/dbraw/zinc/48/92/13/1026489213.db2.gz JOKVRVCUYIGNRJ-UHFFFAOYSA-N 0 3 382.483 3.940 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3ccc4c(c3)CCCO4)cc2F)CC1 ZINC001461156981 1069417854 /nfs/dbraw/zinc/41/78/54/1069417854.db2.gz SMMUEHWQPDECLL-UHFFFAOYSA-N 0 3 383.511 3.582 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062682 1026842078 /nfs/dbraw/zinc/84/20/78/1026842078.db2.gz DEXPEITUCONRQC-XLIONFOSSA-N 0 3 382.451 3.702 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC001140062682 1026842085 /nfs/dbraw/zinc/84/20/85/1026842085.db2.gz DEXPEITUCONRQC-XLIONFOSSA-N 0 3 382.451 3.702 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001203550334 1027428329 /nfs/dbraw/zinc/42/83/29/1027428329.db2.gz SNXUZOOSBNTGLR-LJQANCHMSA-N 0 3 382.451 3.860 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001203550334 1027428340 /nfs/dbraw/zinc/42/83/40/1027428340.db2.gz SNXUZOOSBNTGLR-LJQANCHMSA-N 0 3 382.451 3.860 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000840959290 1027991755 /nfs/dbraw/zinc/99/17/55/1027991755.db2.gz QLGXZQDBNBFUFJ-QUCCMNQESA-N 0 3 390.524 3.677 20 10 GHCDHN CC1(C)C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2cc(N)ccc2O1 ZINC000841084499 1028109239 /nfs/dbraw/zinc/10/92/39/1028109239.db2.gz ZLLGWKOEDOSFNN-IBGZPJMESA-N 0 3 385.483 3.637 20 10 GHCDHN CC1(C)C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2cc(N)ccc2O1 ZINC000841084500 1028109363 /nfs/dbraw/zinc/10/93/63/1028109363.db2.gz ZLLGWKOEDOSFNN-LJQANCHMSA-N 0 3 385.483 3.637 20 10 GHCDHN COC(=O)c1ccc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1C ZINC001461464973 1069561376 /nfs/dbraw/zinc/56/13/76/1069561376.db2.gz NYNHKHFEFPCWNG-HNNXBMFYSA-N 0 3 389.927 3.991 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)c2cccs2)N(C)C)cc1 ZINC001221932686 1029897517 /nfs/dbraw/zinc/89/75/17/1029897517.db2.gz DRAFSQXJITUSEI-SFHVURJKSA-N 0 3 388.581 3.694 20 10 GHCDHN CCN(CC)c1ccc(CNC[C@@H]2CN(C)CCN2Cc2ccccc2)cc1F ZINC001461662417 1069665405 /nfs/dbraw/zinc/66/54/05/1069665405.db2.gz JLJVVQMZTBUKEP-JOCHJYFZSA-N 0 3 398.570 3.578 20 10 GHCDHN CCOc1ccc(C[C@H](N)C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)cc1 ZINC001157433360 1033584258 /nfs/dbraw/zinc/58/42/58/1033584258.db2.gz KCZFDCJZZKQCPS-SIKLNZKXSA-N 0 3 396.531 3.717 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)c1 ZINC001158334742 1034028967 /nfs/dbraw/zinc/02/89/67/1034028967.db2.gz FQHCOMDGLPFRHF-FCHUYYIVSA-N 0 3 387.483 3.511 20 10 GHCDHN COc1ccc(N2CCN(CC[C@H](C)CCCC(C)(C)O)CC2)c(OC)c1 ZINC001207682253 1034524879 /nfs/dbraw/zinc/52/48/79/1034524879.db2.gz AEUUCFYLLHTJHV-GOSISDBHSA-N 0 3 378.557 3.793 20 10 GHCDHN COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466651 1034612117 /nfs/dbraw/zinc/61/21/17/1034612117.db2.gz FCMKMSBXPDVEGB-BJKOFHAPSA-N 0 3 397.515 3.989 20 10 GHCDHN COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466651 1034612123 /nfs/dbraw/zinc/61/21/23/1034612123.db2.gz FCMKMSBXPDVEGB-BJKOFHAPSA-N 0 3 397.515 3.989 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2C1 ZINC001231588088 1034741080 /nfs/dbraw/zinc/74/10/80/1034741080.db2.gz SHDCFRLGCJXAOJ-HDICACEKSA-N 0 3 378.497 3.811 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2C1 ZINC001231588088 1034741089 /nfs/dbraw/zinc/74/10/89/1034741089.db2.gz SHDCFRLGCJXAOJ-HDICACEKSA-N 0 3 378.497 3.811 20 10 GHCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001231590049 1034744462 /nfs/dbraw/zinc/74/44/62/1034744462.db2.gz ZQNNAEIBSIXSOH-OAQYLSRUSA-N 0 3 376.500 3.878 20 10 GHCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001231590049 1034744475 /nfs/dbraw/zinc/74/44/75/1034744475.db2.gz ZQNNAEIBSIXSOH-OAQYLSRUSA-N 0 3 376.500 3.878 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001231849690 1034940143 /nfs/dbraw/zinc/94/01/43/1034940143.db2.gz WOXYYRWTELWDTA-IRXDYDNUSA-N 0 3 391.556 3.886 20 10 GHCDHN COC(=O)c1c(CN2CCC3(COc4ccccc43)CC2)c2ccccc2n1C ZINC001232404064 1038187706 /nfs/dbraw/zinc/18/77/06/1038187706.db2.gz KXOZTJUUKJWNLK-UHFFFAOYSA-N 0 3 390.483 3.891 20 10 GHCDHN CN(C)c1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1 ZINC001232841042 1038591288 /nfs/dbraw/zinc/59/12/88/1038591288.db2.gz QJUMTVMLSIMORC-UHFFFAOYSA-N 0 3 393.453 3.795 20 10 GHCDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)c1 ZINC001233110707 1038900838 /nfs/dbraw/zinc/90/08/38/1038900838.db2.gz IJWMGSZKXJOZCJ-MRXNPFEDSA-N 0 3 393.281 3.520 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001233110591 1038901109 /nfs/dbraw/zinc/90/11/09/1038901109.db2.gz GHQBGIPDFPPCGX-IRXDYDNUSA-N 0 3 385.321 3.861 20 10 GHCDHN CCOC(=O)c1c(CN2CCC[C@](C)(C(=O)OCC)C2)c2ccccc2n1C ZINC001233272871 1039042033 /nfs/dbraw/zinc/04/20/33/1039042033.db2.gz FOIGUHWCVDFTLG-QFIPXVFZSA-N 0 3 386.492 3.520 20 10 GHCDHN CO[C@H](CN1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1)c1ccccc1 ZINC001233454739 1039343101 /nfs/dbraw/zinc/34/31/01/1039343101.db2.gz IRJXMVDETMOZRB-HXUWFJFHSA-N 0 3 394.437 3.916 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2Cc2cc(O)c(O)cc2O)C1 ZINC001233482934 1039379006 /nfs/dbraw/zinc/37/90/06/1039379006.db2.gz HZFYCOBHTAPVQK-OAQYLSRUSA-N 0 3 392.496 3.559 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cccc(OC(F)(F)F)c1O ZINC001233761374 1039595353 /nfs/dbraw/zinc/59/53/53/1039595353.db2.gz UBZAOCRZSOYODF-ZDUSSCGKSA-N 0 3 390.402 3.780 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@H]4CN(Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001234535639 1040108904 /nfs/dbraw/zinc/10/89/04/1040108904.db2.gz CRJRCCLAFAQFTP-RTBURBONSA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc(N2CCN([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001254300196 1040152646 /nfs/dbraw/zinc/15/26/46/1040152646.db2.gz OVXHDRNHDYPZQJ-SFHVURJKSA-N 0 3 389.540 3.607 20 10 GHCDHN Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cccc(-c5ccccc5)c4[O-])C[C@H]3O2)n1 ZINC001234993281 1040488492 /nfs/dbraw/zinc/48/84/92/1040488492.db2.gz BJBTXXWYDJTIMO-QKNQBKEWSA-N 0 3 391.471 3.583 20 10 GHCDHN Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4cccc(-c5ccccc5)c4[O-])C[C@H]3O2)n1 ZINC001234993281 1040488496 /nfs/dbraw/zinc/48/84/96/1040488496.db2.gz BJBTXXWYDJTIMO-QKNQBKEWSA-N 0 3 391.471 3.583 20 10 GHCDHN CCOC(=O)c1csc(CC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC001462550824 1070353686 /nfs/dbraw/zinc/35/36/86/1070353686.db2.gz QVYAYSVFSCSLBN-UHFFFAOYSA-N 0 3 378.469 3.619 20 10 GHCDHN C[C@H](Cc1ccccn1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001256424306 1041728178 /nfs/dbraw/zinc/72/81/78/1041728178.db2.gz UGDYAQSRPWBCEV-HXUWFJFHSA-N 0 3 388.515 3.809 20 10 GHCDHN Cc1cc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]C2)c([O-])cc1Br ZINC001236490227 1041737775 /nfs/dbraw/zinc/73/77/75/1041737775.db2.gz AIGMVYXLMVHTHS-KRWDZBQOSA-N 0 3 390.325 3.612 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1OC ZINC001236754671 1041874058 /nfs/dbraw/zinc/87/40/58/1041874058.db2.gz UFNRFJVCASNBAD-NRFANRHFSA-N 0 3 394.512 3.536 20 10 GHCDHN CC[N@H+](CCc1ccc(OC)cc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236762866 1041877618 /nfs/dbraw/zinc/87/76/18/1041877618.db2.gz RXKHQSMAIPWKPX-UHFFFAOYSA-N 0 3 380.282 3.934 20 10 GHCDHN CC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236762866 1041877625 /nfs/dbraw/zinc/87/76/25/1041877625.db2.gz RXKHQSMAIPWKPX-UHFFFAOYSA-N 0 3 380.282 3.934 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001236786202 1041891646 /nfs/dbraw/zinc/89/16/46/1041891646.db2.gz SMXPAAKIKPXSNU-WMTXJRDZSA-N 0 3 395.499 3.597 20 10 GHCDHN CCc1ccc(CN(C2COC2)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001236795185 1041899782 /nfs/dbraw/zinc/89/97/82/1041899782.db2.gz RKKFVZQCSLZHOJ-UHFFFAOYSA-N 0 3 390.524 3.555 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)c([O-])c1 ZINC001236811784 1041911484 /nfs/dbraw/zinc/91/14/84/1041911484.db2.gz UETWINNVNUDTGI-OAQYLSRUSA-N 0 3 394.515 3.690 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(O)c1 ZINC001236812428 1041912335 /nfs/dbraw/zinc/91/23/35/1041912335.db2.gz ADYBZQBZEFCMHG-UHFFFAOYSA-N 0 3 396.409 3.930 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001236832437 1041921431 /nfs/dbraw/zinc/92/14/31/1041921431.db2.gz NIBDUVGNYFMYCT-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001236832437 1041921434 /nfs/dbraw/zinc/92/14/34/1041921434.db2.gz NIBDUVGNYFMYCT-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc3ccccc3cc2[O-])N1Cc1cccnc1 ZINC001236833709 1041922196 /nfs/dbraw/zinc/92/21/96/1041922196.db2.gz XRRSQFZQNPHKEP-FGZHOGPDSA-N 0 3 387.483 3.706 20 10 GHCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc3ccccc3cc2[O-])N1Cc1cccnc1 ZINC001236833709 1041922197 /nfs/dbraw/zinc/92/21/97/1041922197.db2.gz XRRSQFZQNPHKEP-FGZHOGPDSA-N 0 3 387.483 3.706 20 10 GHCDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236939516 1041965492 /nfs/dbraw/zinc/96/54/92/1041965492.db2.gz RUPAGUZNQFOEOH-JOCHJYFZSA-N 0 3 383.511 3.923 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)OC)cc3)CC2)c([O-])c1 ZINC001237041488 1042001807 /nfs/dbraw/zinc/00/18/07/1042001807.db2.gz MBZPHYDKOODPOO-UHFFFAOYSA-N 0 3 385.460 3.621 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001237041884 1042001861 /nfs/dbraw/zinc/00/18/61/1042001861.db2.gz OTWYLBASDPHCGA-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001237041884 1042001868 /nfs/dbraw/zinc/00/18/68/1042001868.db2.gz OTWYLBASDPHCGA-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237048988 1042008360 /nfs/dbraw/zinc/00/83/60/1042008360.db2.gz BYOZLGNUFKUAMQ-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237048988 1042008377 /nfs/dbraw/zinc/00/83/77/1042008377.db2.gz BYOZLGNUFKUAMQ-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN CC(C)c1ccc(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001237055004 1042012642 /nfs/dbraw/zinc/01/26/42/1042012642.db2.gz LTNGUGPWHYOASI-UHFFFAOYSA-N 0 3 391.556 3.500 20 10 GHCDHN CC(C)c1ccc(C[N@@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001237055004 1042012648 /nfs/dbraw/zinc/01/26/48/1042012648.db2.gz LTNGUGPWHYOASI-UHFFFAOYSA-N 0 3 391.556 3.500 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC4(CCC4)C3)cc2Br)CC1 ZINC001237100999 1042035815 /nfs/dbraw/zinc/03/58/15/1042035815.db2.gz XPEHTDVDUIADKA-UHFFFAOYSA-N 0 3 378.358 3.577 20 10 GHCDHN O=C(c1ccccc1)N1C[C@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237135438 1042057441 /nfs/dbraw/zinc/05/74/41/1042057441.db2.gz HZZVJTZPZQEQRP-IAGOWNOFSA-N 0 3 390.405 3.615 20 10 GHCDHN O=C1N[C@@H](c2ccccc2)C12CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237138373 1042060549 /nfs/dbraw/zinc/06/05/49/1042060549.db2.gz BAPPCFBAVJMRBX-SFHVURJKSA-N 0 3 390.405 3.864 20 10 GHCDHN O=C1N(CC2CC2)CCC12CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237142068 1042061487 /nfs/dbraw/zinc/06/14/87/1042061487.db2.gz HTVBKBKJAFCISA-UHFFFAOYSA-N 0 3 382.426 3.636 20 10 GHCDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237645305 1042301206 /nfs/dbraw/zinc/30/12/06/1042301206.db2.gz AYCLYNJWLMDWDD-LJQANCHMSA-N 0 3 395.434 3.650 20 10 GHCDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237645305 1042301218 /nfs/dbraw/zinc/30/12/18/1042301218.db2.gz AYCLYNJWLMDWDD-LJQANCHMSA-N 0 3 395.434 3.650 20 10 GHCDHN COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643535 1042301338 /nfs/dbraw/zinc/30/13/38/1042301338.db2.gz OLBZMBVVTYJQQF-INIZCTEOSA-N 0 3 381.451 3.673 20 10 GHCDHN COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643535 1042301342 /nfs/dbraw/zinc/30/13/42/1042301342.db2.gz OLBZMBVVTYJQQF-INIZCTEOSA-N 0 3 381.451 3.673 20 10 GHCDHN COC[C@@H]1Cn2nccc2CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237643535 1042301351 /nfs/dbraw/zinc/30/13/51/1042301351.db2.gz OLBZMBVVTYJQQF-INIZCTEOSA-N 0 3 381.451 3.673 20 10 GHCDHN COC[C@@H]1COCCC12CC[NH+](Cc1cc(Br)c(C)cc1[O-])CC2 ZINC001237678866 1042320574 /nfs/dbraw/zinc/32/05/74/1042320574.db2.gz CDKPACBMTUGZTB-MRXNPFEDSA-N 0 3 398.341 3.728 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c1[O-] ZINC001238064636 1042480643 /nfs/dbraw/zinc/48/06/43/1042480643.db2.gz PVYCXQFFIPRNLP-IYBDPMFKSA-N 0 3 378.488 3.919 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c1[O-] ZINC001238064636 1042480645 /nfs/dbraw/zinc/48/06/45/1042480645.db2.gz PVYCXQFFIPRNLP-IYBDPMFKSA-N 0 3 378.488 3.919 20 10 GHCDHN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](c1cccs1)N(C)C ZINC001292841288 1043908543 /nfs/dbraw/zinc/90/85/43/1043908543.db2.gz PPMAXMUTIBIJFM-INIZCTEOSA-N 0 3 385.537 3.547 20 10 GHCDHN Cc1nc2ccccc2cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463280959 1070960750 /nfs/dbraw/zinc/96/07/50/1070960750.db2.gz KROPSKWLGQSECF-JOCHJYFZSA-N 0 3 376.504 3.642 20 10 GHCDHN O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000733334789 1049372540 /nfs/dbraw/zinc/37/25/40/1049372540.db2.gz RGPJDYDYINUZIB-QGZVFWFLSA-N 0 3 375.856 3.708 20 10 GHCDHN CCc1cccc2c(CC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c21 ZINC001289600278 1049555635 /nfs/dbraw/zinc/55/56/35/1049555635.db2.gz OYTWURIBGJOOEF-QFIPXVFZSA-N 0 3 392.547 3.758 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(OC(F)(F)F)c2)N(C)C)cc1 ZINC001289600989 1049557525 /nfs/dbraw/zinc/55/75/25/1049557525.db2.gz XVWRVMYAIWGCCP-SFHVURJKSA-N 0 3 395.425 3.684 20 10 GHCDHN C[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1[O-] ZINC001308009855 1049759743 /nfs/dbraw/zinc/75/97/43/1049759743.db2.gz GBURTWKYVITKJL-HNNXBMFYSA-N 0 3 376.460 3.745 20 10 GHCDHN CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001308652524 1050048709 /nfs/dbraw/zinc/04/87/09/1050048709.db2.gz SDHWSSVZAABMKC-SFHVURJKSA-N 0 3 392.540 3.924 20 10 GHCDHN CC(C)(C)OC(=O)NCC(C)(C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001308652524 1050048716 /nfs/dbraw/zinc/04/87/16/1050048716.db2.gz SDHWSSVZAABMKC-SFHVURJKSA-N 0 3 392.540 3.924 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1 ZINC001308848956 1050122835 /nfs/dbraw/zinc/12/28/35/1050122835.db2.gz KKHRUTYFSCXRLP-GOSISDBHSA-N 0 3 389.337 3.822 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1 ZINC001308848956 1050122838 /nfs/dbraw/zinc/12/28/38/1050122838.db2.gz KKHRUTYFSCXRLP-GOSISDBHSA-N 0 3 389.337 3.822 20 10 GHCDHN COc1nccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1F ZINC001334152927 1051911018 /nfs/dbraw/zinc/91/10/18/1051911018.db2.gz CXKNNKDBKYAAFF-UHFFFAOYSA-N 0 3 381.398 3.589 20 10 GHCDHN O=C1[C@H](NCc2ccc(N3CCCC3)cc2)CCCN1Cc1ccc(F)cc1F ZINC001320937834 1056024973 /nfs/dbraw/zinc/02/49/73/1056024973.db2.gz GCKMYDVGJYQLBW-JOCHJYFZSA-N 0 3 399.485 3.846 20 10 GHCDHN COC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001321386506 1056242845 /nfs/dbraw/zinc/24/28/45/1056242845.db2.gz QMUFALQWVSFKRN-RBUKOAKNSA-N 0 3 380.448 3.972 20 10 GHCDHN COC(=O)c1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001322476054 1056721977 /nfs/dbraw/zinc/72/19/77/1056721977.db2.gz PESQBRLMQPPVOX-LJQANCHMSA-N 0 3 388.895 3.586 20 10 GHCDHN Cn1cc(N2CC[C@H]([NH2+][C@H](CCc3ccccc3)c3ccccc3[O-])C2)cn1 ZINC001324239074 1057095244 /nfs/dbraw/zinc/09/52/44/1057095244.db2.gz BHGJEMLMQBJQMG-SIKLNZKXSA-N 0 3 376.504 3.668 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000848528103 1057150799 /nfs/dbraw/zinc/15/07/99/1057150799.db2.gz KNNPVYYHBULWCL-QFYYESIMSA-N 0 3 386.311 3.783 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@H](C)c2ccncc2OC)c1O ZINC000848548380 1057168704 /nfs/dbraw/zinc/16/87/04/1057168704.db2.gz WKACRUXMAADXNZ-MNOVXSKESA-N 0 3 381.270 3.979 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC000848918539 1057421256 /nfs/dbraw/zinc/42/12/56/1057421256.db2.gz CLMFROYAAQQKFD-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2SCCc3sccc32)N(C)C)cc1 ZINC001439960510 1058367403 /nfs/dbraw/zinc/36/74/03/1058367403.db2.gz MCFNJOXJWMEILY-IEBWSBKVSA-N 0 3 389.590 3.564 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)N(C)C)cc1 ZINC001439961302 1058368893 /nfs/dbraw/zinc/36/88/93/1058368893.db2.gz QNHRMGOMLXCEQA-FNAHDJPLSA-N 0 3 397.950 3.711 20 10 GHCDHN Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001439961404 1058369103 /nfs/dbraw/zinc/36/91/03/1058369103.db2.gz REDMTIFVCQIKBU-FQEVSTJZSA-N 0 3 392.503 3.749 20 10 GHCDHN Cc1cc(C(=O)N[C@H](CO)CN2CCCCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001449341175 1060386689 /nfs/dbraw/zinc/38/66/89/1060386689.db2.gz YNPCJQALUCMECV-NRFANRHFSA-N 0 3 397.563 3.794 20 10 GHCDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001341691016 1060812815 /nfs/dbraw/zinc/81/28/15/1060812815.db2.gz FSGYUVNEBMIIQI-CABCVRRESA-N 0 3 382.932 3.948 20 10 GHCDHN Cc1cc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC001452740407 1060997771 /nfs/dbraw/zinc/99/77/71/1060997771.db2.gz ZXOAUGYJHPXDMS-DEOSSOPVSA-N 0 3 388.515 3.884 20 10 GHCDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@@H]1N(C)C ZINC001466550100 1066187984 /nfs/dbraw/zinc/18/79/84/1066187984.db2.gz OFPUWCJEULVMKT-RBUKOAKNSA-N 0 3 391.968 3.865 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC001467806758 1067476822 /nfs/dbraw/zinc/47/68/22/1067476822.db2.gz ZGBQSCOUWQEANT-QFIPXVFZSA-N 0 3 379.504 3.653 20 10 GHCDHN CCC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC001477805608 1078574460 /nfs/dbraw/zinc/57/44/60/1078574460.db2.gz RCDYUGJBRDECJM-SFTDATJTSA-N 0 3 383.540 3.591 20 10 GHCDHN CC(C)[C@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469829464 1068413658 /nfs/dbraw/zinc/41/36/58/1068413658.db2.gz NVSBWTQLGQVJQP-DLBZAZTESA-N 0 3 388.478 3.632 20 10 GHCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(F)c1F ZINC001478254282 1078786740 /nfs/dbraw/zinc/78/67/40/1078786740.db2.gz FYGJDGACKXMYIA-AUUYWEPGSA-N 0 3 390.478 3.694 20 10 GHCDHN CCN(C)c1ccc(CN2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC001460314967 1068921207 /nfs/dbraw/zinc/92/12/07/1068921207.db2.gz KTXNWZDALNFEPC-SFHVURJKSA-N 0 3 390.325 3.954 20 10 GHCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001478745999 1078973846 /nfs/dbraw/zinc/97/38/46/1078973846.db2.gz KDSZDOAPGYUILN-QGZVFWFLSA-N 0 3 381.520 3.591 20 10 GHCDHN CSC1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCCC1 ZINC001471364314 1073039999 /nfs/dbraw/zinc/03/99/99/1073039999.db2.gz WNSAINZIQQTEBP-LJQANCHMSA-N 0 3 392.613 3.720 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1F ZINC001474748656 1074544460 /nfs/dbraw/zinc/54/44/60/1074544460.db2.gz QEVDCPMPAXQWMJ-BTYIYWSLSA-N 0 3 395.494 3.910 20 10 GHCDHN CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825417597 608501651 /nfs/dbraw/zinc/50/16/51/608501651.db2.gz RVOJZMQEFBZHIB-OAQYLSRUSA-N 0 3 376.508 3.880 20 10 GHCDHN CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825417597 608501652 /nfs/dbraw/zinc/50/16/52/608501652.db2.gz RVOJZMQEFBZHIB-OAQYLSRUSA-N 0 3 376.508 3.880 20 10 GHCDHN COCCOc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000154069060 835104598 /nfs/dbraw/zinc/10/45/98/835104598.db2.gz GAXBMWBNHADRIR-QGZVFWFLSA-N 0 3 388.483 3.538 20 10 GHCDHN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178253698 842633169 /nfs/dbraw/zinc/63/31/69/842633169.db2.gz MCOGVFZPSHFXTA-UWJYYQICSA-N 0 3 397.494 3.509 20 10 GHCDHN COc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([O-])c1 ZINC000171128616 861538375 /nfs/dbraw/zinc/53/83/75/861538375.db2.gz WSHLSCVNNUIMLG-UHFFFAOYSA-N 0 3 377.366 3.895 20 10 GHCDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255428876 845231570 /nfs/dbraw/zinc/23/15/70/845231570.db2.gz XXFCFVUURXQDLN-UHFFFAOYSA-N 0 3 393.491 3.889 20 10 GHCDHN Cc1nn(-c2ccccc2C)c(C)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000731450376 861622112 /nfs/dbraw/zinc/62/21/12/861622112.db2.gz KNHFHVWIWCWOBO-UHFFFAOYSA-N 0 3 390.531 3.924 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000472231621 847544330 /nfs/dbraw/zinc/54/43/30/847544330.db2.gz UCLADBFWEGNAGJ-UHFFFAOYSA-N 0 3 378.520 3.760 20 10 GHCDHN C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162405940 849010358 /nfs/dbraw/zinc/01/03/58/849010358.db2.gz OZUKKGUDBSXALK-GOSISDBHSA-N 0 3 398.526 3.898 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)COC(=O)N4)c2)CC1 ZINC000907190541 857524862 /nfs/dbraw/zinc/52/48/62/857524862.db2.gz VCRPSWAMTXWFAK-UHFFFAOYSA-N 0 3 394.475 3.531 20 10 GHCDHN CCN(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856551816 881373934 /nfs/dbraw/zinc/37/39/34/881373934.db2.gz AHLUDXAGWQUXHN-GOSISDBHSA-N 0 3 375.900 3.546 20 10 GHCDHN CCN(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856551816 881373953 /nfs/dbraw/zinc/37/39/53/881373953.db2.gz AHLUDXAGWQUXHN-GOSISDBHSA-N 0 3 375.900 3.546 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c1[O-] ZINC000761206544 859123325 /nfs/dbraw/zinc/12/33/25/859123325.db2.gz KEQIHOYZEUCZFG-UHFFFAOYSA-N 0 3 375.881 3.905 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000765246856 859863621 /nfs/dbraw/zinc/86/36/21/859863621.db2.gz YEEPVVWGJPGSCE-OXQOHEQNSA-N 0 3 399.535 3.854 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000765379487 859941502 /nfs/dbraw/zinc/94/15/02/859941502.db2.gz GSEQIBSIZGXLHE-CYBMUJFWSA-N 0 3 376.298 3.804 20 10 GHCDHN C[C@H](NCCN1Cc2ccccc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765401641 859955165 /nfs/dbraw/zinc/95/51/65/859955165.db2.gz HMOPUFQDLFWYEK-KRWDZBQOSA-N 0 3 385.939 3.843 20 10 GHCDHN C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850650 860004862 /nfs/dbraw/zinc/00/48/62/860004862.db2.gz DOFFCKUAJSIQPV-JCGIZDLHSA-N 0 3 376.497 3.505 20 10 GHCDHN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1ccccc1O ZINC000727831330 860284642 /nfs/dbraw/zinc/28/46/42/860284642.db2.gz WDXGHFDNDQPMEE-UHFFFAOYSA-N 0 3 382.504 3.804 20 10 GHCDHN CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccc(N(C)C)cc1 ZINC000155183124 881670395 /nfs/dbraw/zinc/67/03/95/881670395.db2.gz BUYKKDKIEITMEH-UHFFFAOYSA-N 0 3 378.476 3.546 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000840759768 863823053 /nfs/dbraw/zinc/82/30/53/863823053.db2.gz MYZMOEXAXMOOEZ-SJKOYZFVSA-N 0 3 392.421 3.984 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000734527122 864278809 /nfs/dbraw/zinc/27/88/09/864278809.db2.gz XRZIGAURMUYZEN-WIYYLYMNSA-N 0 3 380.536 3.696 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000734527119 864279189 /nfs/dbraw/zinc/27/91/89/864279189.db2.gz XRZIGAURMUYZEN-GHTZIAJQSA-N 0 3 380.536 3.696 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([O-])c1 ZINC000184891338 865027270 /nfs/dbraw/zinc/02/72/70/865027270.db2.gz UUHOTYRZUGPHPW-KRWDZBQOSA-N 0 3 388.533 3.726 20 10 GHCDHN CS(=O)(=O)c1cccc(OCC[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000738312633 865528289 /nfs/dbraw/zinc/52/82/89/865528289.db2.gz AENLRPLIASJQCW-UHFFFAOYSA-N 0 3 389.517 3.619 20 10 GHCDHN CS(=O)(=O)c1cccc(OCC[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000738312633 865528298 /nfs/dbraw/zinc/52/82/98/865528298.db2.gz AENLRPLIASJQCW-UHFFFAOYSA-N 0 3 389.517 3.619 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)cc1 ZINC000741074020 866218738 /nfs/dbraw/zinc/21/87/38/866218738.db2.gz GGJCQNYSXNGOJU-QHCPKHFHSA-N 0 3 392.547 3.727 20 10 GHCDHN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000183349585 866639612 /nfs/dbraw/zinc/63/96/12/866639612.db2.gz IQRJQXRQXFNCSP-XMMPIXPASA-N 0 3 379.548 3.758 20 10 GHCDHN C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183529545 866839017 /nfs/dbraw/zinc/83/90/17/866839017.db2.gz JGGXWFTXPWZUEH-OAHLLOKOSA-N 0 3 398.484 3.834 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000743716932 868381863 /nfs/dbraw/zinc/38/18/63/868381863.db2.gz AXHVSBBUQWBFMP-LJQANCHMSA-N 0 3 396.506 3.939 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC001169755117 871840488 /nfs/dbraw/zinc/84/04/88/871840488.db2.gz SRLHFPXOTNRTFQ-NRFANRHFSA-N 0 3 398.503 3.817 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC001169755117 871840516 /nfs/dbraw/zinc/84/05/16/871840516.db2.gz SRLHFPXOTNRTFQ-NRFANRHFSA-N 0 3 398.503 3.817 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC001169755117 871840534 /nfs/dbraw/zinc/84/05/34/871840534.db2.gz SRLHFPXOTNRTFQ-NRFANRHFSA-N 0 3 398.503 3.817 20 10 GHCDHN Cc1cc(C)c(C(=O)NC2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)o1 ZINC000857826630 882570720 /nfs/dbraw/zinc/57/07/20/882570720.db2.gz VNYOATYSZNXJCG-AATRIKPKSA-N 0 3 381.520 3.870 20 10 GHCDHN COc1cc(Br)cc(CNCc2ccc3c(n2)CCCC3)c1O ZINC000767729339 872791943 /nfs/dbraw/zinc/79/19/43/872791943.db2.gz UECYMUSVZLQJQT-UHFFFAOYSA-N 0 3 377.282 3.727 20 10 GHCDHN O=C(c1cccc(F)c1)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768439917 873303795 /nfs/dbraw/zinc/30/37/95/873303795.db2.gz AEAFORLYAFDZGA-UHFFFAOYSA-N 0 3 382.479 3.758 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Oc3ccccc3Cl)CC1)[C@@H](O)CO2 ZINC000768463004 873328818 /nfs/dbraw/zinc/32/88/18/873328818.db2.gz PWKFYGPTCUHOSS-SFHVURJKSA-N 0 3 375.852 3.515 20 10 GHCDHN Oc1cc2c(cc1CN1CCC(Oc3ccccc3Cl)CC1)[C@@H](O)CO2 ZINC000768463004 873328834 /nfs/dbraw/zinc/32/88/34/873328834.db2.gz PWKFYGPTCUHOSS-SFHVURJKSA-N 0 3 375.852 3.515 20 10 GHCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769500395 874109049 /nfs/dbraw/zinc/10/90/49/874109049.db2.gz ZACSDIHUQVJHEW-HNNXBMFYSA-N 0 3 389.437 3.515 20 10 GHCDHN Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000771038870 875010381 /nfs/dbraw/zinc/01/03/81/875010381.db2.gz KOIVKLCTEIERIZ-NRFANRHFSA-N 0 3 395.547 3.694 20 10 GHCDHN COc1ccc(O)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000776174805 875691580 /nfs/dbraw/zinc/69/15/80/875691580.db2.gz AXJSIVDGGRJIMC-KRWDZBQOSA-N 0 3 376.884 3.514 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(N(C)C)cc1 ZINC000786786588 876939165 /nfs/dbraw/zinc/93/91/65/876939165.db2.gz ZAKQBKMNBKWMEB-YCRPNKLZSA-N 0 3 387.474 3.873 20 10 GHCDHN CCOc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000850568184 877036481 /nfs/dbraw/zinc/03/64/81/877036481.db2.gz RCLCXWYLZFBLKS-MRXNPFEDSA-N 0 3 399.491 3.805 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850762814 877152387 /nfs/dbraw/zinc/15/23/87/877152387.db2.gz OQYDGWGLGHTLMV-NRFANRHFSA-N 0 3 383.492 3.887 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000851879560 877957079 /nfs/dbraw/zinc/95/70/79/877957079.db2.gz LFDYIORJODXEJP-QGZVFWFLSA-N 0 3 379.508 3.940 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000851879560 877957082 /nfs/dbraw/zinc/95/70/82/877957082.db2.gz LFDYIORJODXEJP-QGZVFWFLSA-N 0 3 379.508 3.940 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1[O-] ZINC000179880205 878160508 /nfs/dbraw/zinc/16/05/08/878160508.db2.gz YXLWJCXVGTZZGR-GUYCJALGSA-N 0 3 376.403 3.840 20 10 GHCDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237895289 878282470 /nfs/dbraw/zinc/28/24/70/878282470.db2.gz FOQHUNNURDNHEF-HNNXBMFYSA-N 0 3 377.391 3.955 20 10 GHCDHN COc1cc(CN(C)Cc2cc(Br)cc(OC)c2O)ccc1O ZINC000179943460 878285039 /nfs/dbraw/zinc/28/50/39/878285039.db2.gz GTHLUEZAWMAOIL-UHFFFAOYSA-N 0 3 382.254 3.510 20 10 GHCDHN CCc1ccc([C@H]2CN(Cc3ccc(N4CCN(C)CC4)cc3)CCO2)cc1 ZINC000792187868 880974239 /nfs/dbraw/zinc/97/42/39/880974239.db2.gz ISWVFDVMSNWPDO-XMMPIXPASA-N 0 3 379.548 3.574 20 10 GHCDHN CCc1ccc([C@@H]2CN(Cc3ccc(N4CCN(C)CC4)cc3)CCO2)cc1 ZINC000792187865 880974423 /nfs/dbraw/zinc/97/44/23/880974423.db2.gz ISWVFDVMSNWPDO-DEOSSOPVSA-N 0 3 379.548 3.574 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000858493382 883146048 /nfs/dbraw/zinc/14/60/48/883146048.db2.gz SLUWGWDJAFNRAF-DZGCQCFKSA-N 0 3 394.487 3.743 20 10 GHCDHN C[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858528688 883175456 /nfs/dbraw/zinc/17/54/56/883175456.db2.gz FATQNOUZJZYUCK-QVKFZJNVSA-N 0 3 399.922 3.654 20 10 GHCDHN CCOc1cccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000763441795 886104722 /nfs/dbraw/zinc/10/47/22/886104722.db2.gz RFTAAVKALRVSEQ-INIZCTEOSA-N 0 3 377.435 3.840 20 10 GHCDHN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808690820 886645986 /nfs/dbraw/zinc/64/59/86/886645986.db2.gz MFONIFJMFKDIIL-CHWSQXEVSA-N 0 3 382.913 3.674 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000808729803 886746513 /nfs/dbraw/zinc/74/65/13/886746513.db2.gz PPGIEQXDWCMYOT-BKGUAONASA-N 0 3 378.266 3.608 20 10 GHCDHN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Br)cc(OC)c1[O-] ZINC000809644340 887650067 /nfs/dbraw/zinc/65/00/67/887650067.db2.gz WOEYODJKSVOTDD-KRWDZBQOSA-N 0 3 394.309 3.936 20 10 GHCDHN CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(OC)c1[O-] ZINC000809644340 887650070 /nfs/dbraw/zinc/65/00/70/887650070.db2.gz WOEYODJKSVOTDD-KRWDZBQOSA-N 0 3 394.309 3.936 20 10 GHCDHN Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000809662880 887688335 /nfs/dbraw/zinc/68/83/35/887688335.db2.gz HAMVGQZNLJUNDS-GOSISDBHSA-N 0 3 390.487 3.723 20 10 GHCDHN Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000809662880 887688339 /nfs/dbraw/zinc/68/83/39/887688339.db2.gz HAMVGQZNLJUNDS-GOSISDBHSA-N 0 3 390.487 3.723 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758098 887801361 /nfs/dbraw/zinc/80/13/61/887801361.db2.gz CJPKMTWPHDJBLZ-UONOGXRCSA-N 0 3 384.314 3.802 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758098 887801368 /nfs/dbraw/zinc/80/13/68/887801368.db2.gz CJPKMTWPHDJBLZ-UONOGXRCSA-N 0 3 384.314 3.802 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@]2(CCOC2)O1 ZINC000794707728 887926110 /nfs/dbraw/zinc/92/61/10/887926110.db2.gz WTAHUGNGZYAQBI-BFUOFWGJSA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@]2(CCOC2)O1 ZINC000794707728 887926116 /nfs/dbraw/zinc/92/61/16/887926116.db2.gz WTAHUGNGZYAQBI-BFUOFWGJSA-N 0 3 392.293 3.688 20 10 GHCDHN CCOC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000810657469 888719178 /nfs/dbraw/zinc/71/91/78/888719178.db2.gz JBJDTOKVGAKSQM-UHFFFAOYSA-N 0 3 395.503 3.646 20 10 GHCDHN Cc1cc(C(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000794948313 889035976 /nfs/dbraw/zinc/03/59/76/889035976.db2.gz ILVPMPJERZWHBS-QRWLVFNGSA-N 0 3 389.902 3.705 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1N1CCCC1 ZINC000121234371 889038236 /nfs/dbraw/zinc/03/82/36/889038236.db2.gz YWXKMIJUOUQVSP-UHFFFAOYSA-N 0 3 383.511 3.895 20 10 GHCDHN CN(C)c1ccc(CNC/C=C/CNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 ZINC000811497826 889649326 /nfs/dbraw/zinc/64/93/26/889649326.db2.gz FSTLBFGTRDQFKQ-VOTSOKGWSA-N 0 3 387.446 3.942 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3ccnc(Cl)c3Cl)cc2F)CC1 ZINC000811478532 889666031 /nfs/dbraw/zinc/66/60/31/889666031.db2.gz KYIDLYXSTPLNMQ-UHFFFAOYSA-N 0 3 397.325 3.959 20 10 GHCDHN CC(=O)c1cccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000917014010 890745575 /nfs/dbraw/zinc/74/55/75/890745575.db2.gz MDGHDHYIQBDJKR-JOCHJYFZSA-N 0 3 384.520 3.606 20 10 GHCDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000813043927 891256492 /nfs/dbraw/zinc/25/64/92/891256492.db2.gz OBRTYMWNNYMCKS-NRFANRHFSA-N 0 3 381.455 3.547 20 10 GHCDHN COc1cc(Br)cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873184760 891510924 /nfs/dbraw/zinc/51/09/24/891510924.db2.gz XIKYKSMLYLTHMJ-SNVBAGLBSA-N 0 3 381.226 3.922 20 10 GHCDHN NC(=O)C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1ccccc1 ZINC000815154149 893492313 /nfs/dbraw/zinc/49/23/13/893492313.db2.gz CIAYGOQJKOWWKG-QHCPKHFHSA-N 0 3 385.511 3.956 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000877178927 893524023 /nfs/dbraw/zinc/52/40/23/893524023.db2.gz DOFKJMHUNQDFQH-KRWDZBQOSA-N 0 3 382.508 3.932 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000877178927 893524035 /nfs/dbraw/zinc/52/40/35/893524035.db2.gz DOFKJMHUNQDFQH-KRWDZBQOSA-N 0 3 382.508 3.932 20 10 GHCDHN COc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1Cn1cccn1 ZINC000877577604 893699450 /nfs/dbraw/zinc/69/94/50/893699450.db2.gz ZBWBMERKWQYDCU-OAQYLSRUSA-N 0 3 397.544 3.995 20 10 GHCDHN COc1cccc(CN2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)c1O ZINC000877753801 893791567 /nfs/dbraw/zinc/79/15/67/893791567.db2.gz TYCCHRLKBLWXIW-UHFFFAOYSA-N 0 3 390.549 3.724 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000815564292 894002586 /nfs/dbraw/zinc/00/25/86/894002586.db2.gz DXYYNSXHVWIEQQ-FCHUYYIVSA-N 0 3 391.515 3.922 20 10 GHCDHN O=S1(=O)CCC(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815600129 894037291 /nfs/dbraw/zinc/03/72/91/894037291.db2.gz MJDPLJLALOXIPV-OAQYLSRUSA-N 0 3 387.545 3.871 20 10 GHCDHN CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1[O-] ZINC000128752335 896057802 /nfs/dbraw/zinc/05/78/02/896057802.db2.gz JPQOHFANNLRURN-UHFFFAOYSA-N 0 3 375.400 3.680 20 10 GHCDHN CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1[O-] ZINC000128752335 896057814 /nfs/dbraw/zinc/05/78/14/896057814.db2.gz JPQOHFANNLRURN-UHFFFAOYSA-N 0 3 375.400 3.680 20 10 GHCDHN COc1ccc(N2CC[C@H](CN[C@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000818342077 896121027 /nfs/dbraw/zinc/12/10/27/896121027.db2.gz LGQVRMMSGSCUOV-HXOBKFHXSA-N 0 3 394.494 3.773 20 10 GHCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3nnn(-c4ccccc4)c3C)C2)cc1 ZINC000818345512 896125700 /nfs/dbraw/zinc/12/57/00/896125700.db2.gz VRSVRQJKVVHXRG-PKOBYXMFSA-N 0 3 391.519 3.761 20 10 GHCDHN COc1cccc([C@@H](C)NCc2ccc(Br)cc2[N+](=O)[O-])c1O ZINC000883295879 897464820 /nfs/dbraw/zinc/46/48/20/897464820.db2.gz WDIMLHNSVLAPPV-SNVBAGLBSA-N 0 3 381.226 3.922 20 10 GHCDHN CC(=O)Nc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000822345246 898338006 /nfs/dbraw/zinc/33/80/06/898338006.db2.gz UYJDIWSPVMCSJL-UHFFFAOYSA-N 0 3 382.464 3.833 20 10 GHCDHN CC[C@@](C)(C(=O)OC)N(Cc1ccc(N2CCC(OC)CC2)cc1)CC1CC1 ZINC000823502784 899069253 /nfs/dbraw/zinc/06/92/53/899069253.db2.gz GJLVEZPJSQMSPD-QHCPKHFHSA-N 0 3 388.552 3.856 20 10 GHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001137204660 899374150 /nfs/dbraw/zinc/37/41/50/899374150.db2.gz KYTHGMWMYPJIJR-QZTJIDSGSA-N 0 3 389.565 3.775 20 10 GHCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c1 ZINC000824608484 899717567 /nfs/dbraw/zinc/71/75/67/899717567.db2.gz HCDIDZWAJBJXNQ-UHFFFAOYSA-N 0 3 379.460 3.756 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1[O-] ZINC000824932545 899893876 /nfs/dbraw/zinc/89/38/76/899893876.db2.gz RVGCRAJFEHCSEO-HZPDHXFCSA-N 0 3 393.281 3.568 20 10 GHCDHN CCOCc1cc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)ccc1OC ZINC000825118729 899991134 /nfs/dbraw/zinc/99/11/34/899991134.db2.gz WTFVCYKSOZBHQM-HLAWJBBLSA-N 0 3 387.524 3.715 20 10 GHCDHN Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825326695 900096051 /nfs/dbraw/zinc/09/60/51/900096051.db2.gz PADSEOPRDAGMLF-SIKLNZKXSA-N 0 3 393.487 3.715 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000886749024 901254101 /nfs/dbraw/zinc/25/41/01/901254101.db2.gz GTUOIUORFGZQGS-OAQYLSRUSA-N 0 3 397.494 3.531 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCc2cc3ccccc3nc2N2CCOCC2)c1 ZINC000845972447 902554204 /nfs/dbraw/zinc/55/42/04/902554204.db2.gz OVHXXBDUNNQEMG-MRXNPFEDSA-N 0 3 393.487 3.636 20 10 GHCDHN COc1cccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000846155638 902723699 /nfs/dbraw/zinc/72/36/99/902723699.db2.gz ASWPJLNZWSFCSH-KPOBHBOGSA-N 0 3 390.911 3.777 20 10 GHCDHN Cc1c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cccc1[N+](=O)[O-] ZINC000151576901 904160633 /nfs/dbraw/zinc/16/06/33/904160633.db2.gz ZDVHRWOTXRRFOF-QGZVFWFLSA-N 0 3 383.492 3.963 20 10 GHCDHN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccccc4)CC3)CC2)cc1 ZINC001171883786 905118435 /nfs/dbraw/zinc/11/84/35/905118435.db2.gz AONSHJHVAJWGRS-NRFANRHFSA-N 0 3 393.531 3.512 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c([O-])c1 ZINC000185133596 907720238 /nfs/dbraw/zinc/72/02/38/907720238.db2.gz ZWGOWBKTWITIOI-INIZCTEOSA-N 0 3 376.522 3.580 20 10 GHCDHN FC1(F)Oc2ccc(CNCc3ccc(N4CCSCC4)cc3)cc2O1 ZINC001177315077 908521273 /nfs/dbraw/zinc/52/12/73/908521273.db2.gz JFEIINLYLJVQST-UHFFFAOYSA-N 0 3 378.444 3.851 20 10 GHCDHN CCN1CCN(Cc2ccc(NC(=O)/C=C/c3ccc(N(C)C)cc3)cc2)CC1 ZINC001180126101 909972829 /nfs/dbraw/zinc/97/28/29/909972829.db2.gz DRCMCPXCMKGPAV-NTEUORMPSA-N 0 3 392.547 3.542 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccn2Cc2cccs2)N(C)C)cc1 ZINC001180178560 909976591 /nfs/dbraw/zinc/97/65/91/909976591.db2.gz CTQXBZQEYOVUMS-NRFANRHFSA-N 0 3 396.560 3.697 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000268812429 910029435 /nfs/dbraw/zinc/02/94/35/910029435.db2.gz FGDMMDHYFZRZEO-QGZVFWFLSA-N 0 3 394.494 3.823 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000271476444 910919090 /nfs/dbraw/zinc/91/90/90/910919090.db2.gz IZGDUWFCDUIGNI-IHULAWBXSA-N 0 3 390.524 3.812 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000774486753 911791797 /nfs/dbraw/zinc/79/17/97/911791797.db2.gz YKHLVDKLRCHFEN-HZPDHXFCSA-N 0 3 383.492 3.592 20 10 GHCDHN CC(C)c1ccccc1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256565 916638171 /nfs/dbraw/zinc/63/81/71/916638171.db2.gz ZXHPYXSINUCKTL-GOSISDBHSA-N 0 3 381.520 3.936 20 10 GHCDHN CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259634 916697684 /nfs/dbraw/zinc/69/76/84/916697684.db2.gz JTLPCZAIZVRJRQ-SFHVURJKSA-N 0 3 381.520 3.683 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC(C)C)c1ccccc1C)cc2=O ZINC000775409386 917551874 /nfs/dbraw/zinc/55/18/74/917551874.db2.gz ZNTLGCLOIZSNMD-LJQANCHMSA-N 0 3 396.491 3.797 20 10 GHCDHN CCOc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c([O-])c1 ZINC000796470405 917599079 /nfs/dbraw/zinc/59/90/79/917599079.db2.gz LSDJZSPVGRGNAY-GOSISDBHSA-N 0 3 380.282 3.551 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@](C)(CCc3ccccc3)C2)cc1 ZINC001191443659 918004320 /nfs/dbraw/zinc/00/43/20/918004320.db2.gz FADXEZSOVALSIP-XMMPIXPASA-N 0 3 379.548 3.714 20 10 GHCDHN C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598421 919456556 /nfs/dbraw/zinc/45/65/56/919456556.db2.gz HEQXJXNZVAHYOM-JTSKRJEESA-N 0 3 397.494 3.509 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000800528659 920245490 /nfs/dbraw/zinc/24/54/90/920245490.db2.gz SYPBVNCDUURDGW-AWEZNQCLSA-N 0 3 375.900 3.967 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000800528659 920245500 /nfs/dbraw/zinc/24/55/00/920245500.db2.gz SYPBVNCDUURDGW-AWEZNQCLSA-N 0 3 375.900 3.967 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(C)n1-c1cccc(C(C)C)c1 ZINC000725896736 926482630 /nfs/dbraw/zinc/48/26/30/926482630.db2.gz OMEHNOCPXGEZSB-FCHUYYIVSA-N 0 3 395.547 3.811 20 10 GHCDHN C[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000749884189 927328993 /nfs/dbraw/zinc/32/89/93/927328993.db2.gz RIPYJHOWTNAVEH-IERDGZPVSA-N 0 3 399.922 3.633 20 10 GHCDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753530629 929391747 /nfs/dbraw/zinc/39/17/47/929391747.db2.gz NWNLCFAOYCVGJW-FQEVSTJZSA-N 0 3 382.504 3.709 20 10 GHCDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753530629 929391759 /nfs/dbraw/zinc/39/17/59/929391759.db2.gz NWNLCFAOYCVGJW-FQEVSTJZSA-N 0 3 382.504 3.709 20 10 GHCDHN O=C([C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1)N1CCCC1 ZINC000753546670 929406328 /nfs/dbraw/zinc/40/63/28/929406328.db2.gz JRMOOOFUPINYQD-OAQYLSRUSA-N 0 3 394.515 3.806 20 10 GHCDHN O=C([C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1)N1CCCC1 ZINC000753546670 929406334 /nfs/dbraw/zinc/40/63/34/929406334.db2.gz JRMOOOFUPINYQD-OAQYLSRUSA-N 0 3 394.515 3.806 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000757634140 929751666 /nfs/dbraw/zinc/75/16/66/929751666.db2.gz ZAVRSAXRHLWMOI-ABSDTBQOSA-N 0 3 382.504 3.740 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCOc4cc(F)ccc43)cc2)C1 ZINC000781892651 931013887 /nfs/dbraw/zinc/01/38/87/931013887.db2.gz XIHHWKCGHHFYLM-DYESRHJHSA-N 0 3 397.494 3.531 20 10 GHCDHN COc1cccc(C[C@@H](C)[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000783507878 931567198 /nfs/dbraw/zinc/56/71/98/931567198.db2.gz BYPXHQPLZAILJG-BEFAXECRSA-N 0 3 389.927 3.634 20 10 GHCDHN COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000783507879 931567451 /nfs/dbraw/zinc/56/74/51/931567451.db2.gz BYPXHQPLZAILJG-DNVCBOLYSA-N 0 3 389.927 3.634 20 10 GHCDHN COc1cccc(C[C@H](C)[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000783507880 931567528 /nfs/dbraw/zinc/56/75/28/931567528.db2.gz BYPXHQPLZAILJG-HNAYVOBHSA-N 0 3 389.927 3.634 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927105665 932414271 /nfs/dbraw/zinc/41/42/71/932414271.db2.gz LXWPFPSXXLCXNI-GGAORHGYSA-N 0 3 380.532 3.909 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927105666 932414386 /nfs/dbraw/zinc/41/43/86/932414386.db2.gz LXWPFPSXXLCXNI-GMAHTHKFSA-N 0 3 380.532 3.909 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1[O-] ZINC000799737069 933104787 /nfs/dbraw/zinc/10/47/87/933104787.db2.gz UELZPTGGBMSAHE-LJQANCHMSA-N 0 3 376.294 3.777 20 10 GHCDHN COc1cccc(C2(NCc3ccc(N4CCN(C)CC4)c(F)c3)CCC2)c1 ZINC001118484759 934180492 /nfs/dbraw/zinc/18/04/92/934180492.db2.gz VHKACWQIJAWBMI-UHFFFAOYSA-N 0 3 383.511 3.755 20 10 GHCDHN O=C1NC[C@@H](c2ccccc2)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204323259 1032768767 /nfs/dbraw/zinc/76/87/67/1032768767.db2.gz QNIUQKAYBJNMSF-QHCPKHFHSA-N 0 3 389.543 3.783 20 10 GHCDHN CCN1CCN(c2ccc(CN3Cc4cnc(-c5ccccc5)nc4C3)cc2)CC1 ZINC001140305536 1021360328 /nfs/dbraw/zinc/36/03/28/1021360328.db2.gz BCHXELNBUHVVKK-UHFFFAOYSA-N 0 3 399.542 3.801 20 10 GHCDHN CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140467170 1021762651 /nfs/dbraw/zinc/76/26/51/1021762651.db2.gz NXJWDWVJVWVNES-GOSISDBHSA-N 0 3 390.911 3.894 20 10 GHCDHN Cc1ccc(NC(=O)C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)nc1 ZINC000835024921 1021779350 /nfs/dbraw/zinc/77/93/50/1021779350.db2.gz DNLIBFLLJGFHCC-SNAWJCMRSA-N 0 3 378.520 3.820 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c(Cl)c1 ZINC001140922677 1022890934 /nfs/dbraw/zinc/89/09/34/1022890934.db2.gz YXBVLRPHWOWFRB-QGZVFWFLSA-N 0 3 388.943 3.678 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001140952060 1022979705 /nfs/dbraw/zinc/97/97/05/1022979705.db2.gz CSKCOKAMQMBUKY-WIYYLYMNSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001140952060 1022979709 /nfs/dbraw/zinc/97/97/09/1022979709.db2.gz CSKCOKAMQMBUKY-WIYYLYMNSA-N 0 3 378.488 3.872 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756435076 1023646642 /nfs/dbraw/zinc/64/66/42/1023646642.db2.gz UUAAEFORRYNHKO-KUHUBIRLSA-N 0 3 398.478 3.569 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000756611262 1023737433 /nfs/dbraw/zinc/73/74/33/1023737433.db2.gz UXGSIZANNAMCDF-PXAZEXFGSA-N 0 3 394.393 3.979 20 10 GHCDHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccc(N2CCCCC2)cc1 ZINC001138218471 1024389544 /nfs/dbraw/zinc/38/95/44/1024389544.db2.gz HSSXBGWDMBCSGK-RTWAWAEBSA-N 0 3 396.560 3.622 20 10 GHCDHN COc1ccnc(O[C@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC001138222014 1024398690 /nfs/dbraw/zinc/39/86/90/1024398690.db2.gz BALVGALZXOHDJV-FQEVSTJZSA-N 0 3 382.508 3.519 20 10 GHCDHN CN1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H](c2ccccc2)C1 ZINC001138337911 1024699674 /nfs/dbraw/zinc/69/96/74/1024699674.db2.gz GIEPTBJQCKITEX-JOCHJYFZSA-N 0 3 377.532 3.580 20 10 GHCDHN Oc1cccnc1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001138397429 1024774825 /nfs/dbraw/zinc/77/48/25/1024774825.db2.gz RQUYBVVYYLYZNC-UHFFFAOYSA-N 0 3 375.472 3.688 20 10 GHCDHN O=C1CC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c2cc(F)ccc21 ZINC001138495974 1024928385 /nfs/dbraw/zinc/92/83/85/1024928385.db2.gz KZRBDQLGICNWRM-UHFFFAOYSA-N 0 3 394.490 3.783 20 10 GHCDHN CCN(Cc1ccncc1)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675946 1025201101 /nfs/dbraw/zinc/20/11/01/1025201101.db2.gz RNTWWWPPAKBDCS-UHFFFAOYSA-N 0 3 390.325 3.703 20 10 GHCDHN CCOc1cc(CNCc2ccc3c(c2)CCO3)cc(Br)c1O ZINC000838921482 1025444613 /nfs/dbraw/zinc/44/46/13/1025444613.db2.gz BQNOUKAQUSIYTG-UHFFFAOYSA-N 0 3 378.266 3.778 20 10 GHCDHN Cc1cccc(-c2n[nH]cc2CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146453 1025641706 /nfs/dbraw/zinc/64/17/06/1025641706.db2.gz HWWIESBVZNUBOV-UHFFFAOYSA-N 0 3 398.457 3.790 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1[O-] ZINC000839146630 1025642019 /nfs/dbraw/zinc/64/20/19/1025642019.db2.gz PDABAJGWKMQQHU-UHFFFAOYSA-N 0 3 382.838 3.759 20 10 GHCDHN C[C@@H]1CN(c2ccc(CN(C)Cc3ccc(N4CCCC4)cc3)cn2)C[C@H](C)O1 ZINC001139380551 1026248590 /nfs/dbraw/zinc/24/85/90/1026248590.db2.gz KLMINHVZHONRNH-BGYRXZFFSA-N 0 3 394.563 3.927 20 10 GHCDHN C[C@H]1CN(c2ccc(CN(C)Cc3ccc(N4CCCC4)cc3)cn2)C[C@H](C)O1 ZINC001139380553 1026248934 /nfs/dbraw/zinc/24/89/34/1026248934.db2.gz KLMINHVZHONRNH-PMACEKPBSA-N 0 3 394.563 3.927 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001140053957 1026833966 /nfs/dbraw/zinc/83/39/66/1026833966.db2.gz GGZKEZHRGRNVSS-QFIPXVFZSA-N 0 3 388.458 3.789 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001140053957 1026833977 /nfs/dbraw/zinc/83/39/77/1026833977.db2.gz GGZKEZHRGRNVSS-QFIPXVFZSA-N 0 3 388.458 3.789 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140055681 1026835879 /nfs/dbraw/zinc/83/58/79/1026835879.db2.gz PGQRAANGQRLHCS-VXKWHMMOSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140055681 1026835889 /nfs/dbraw/zinc/83/58/89/1026835889.db2.gz PGQRAANGQRLHCS-VXKWHMMOSA-N 0 3 386.467 3.514 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2CF)CC1 ZINC001140063136 1026842168 /nfs/dbraw/zinc/84/21/68/1026842168.db2.gz LNGGJTICOUXKDG-GDBMZVCRSA-N 0 3 382.451 3.606 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2CF)CC1 ZINC001140063136 1026842174 /nfs/dbraw/zinc/84/21/74/1026842174.db2.gz LNGGJTICOUXKDG-GDBMZVCRSA-N 0 3 382.451 3.606 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4cc(F)ccc4[O-])C[C@H]2C3)c1 ZINC001140063678 1026843887 /nfs/dbraw/zinc/84/38/87/1026843887.db2.gz VHTIBLIZBWFAFL-BEFAXECRSA-N 0 3 393.462 3.712 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4cc(F)ccc4[O-])C[C@H]2C3)c1 ZINC001140063678 1026843893 /nfs/dbraw/zinc/84/38/93/1026843893.db2.gz VHTIBLIZBWFAFL-BEFAXECRSA-N 0 3 393.462 3.712 20 10 GHCDHN O=C(CNCc1ccc2c(c1)CCN2Cc1ccccc1)NC1CCCCC1 ZINC001461162120 1069420244 /nfs/dbraw/zinc/42/02/44/1069420244.db2.gz ZKLJBJLDFOCYLR-UHFFFAOYSA-N 0 3 377.532 3.788 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccsc3C(F)(F)F)cc2F)CC1 ZINC001203321109 1027273663 /nfs/dbraw/zinc/27/36/63/1027273663.db2.gz RPVKGNVZPINDKT-UHFFFAOYSA-N 0 3 387.446 3.948 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552646 1027430335 /nfs/dbraw/zinc/43/03/35/1027430335.db2.gz PMMOSQWZKSQUKJ-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552646 1027430342 /nfs/dbraw/zinc/43/03/42/1027430342.db2.gz PMMOSQWZKSQUKJ-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001203562308 1027434739 /nfs/dbraw/zinc/43/47/39/1027434739.db2.gz HRVKBKSALMLKSA-UHFFFAOYSA-N 0 3 375.472 3.688 20 10 GHCDHN CCOc1cccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC001203603458 1027468792 /nfs/dbraw/zinc/46/87/92/1027468792.db2.gz QDIVEKFENWBMLI-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC001203603458 1027468800 /nfs/dbraw/zinc/46/88/00/1027468800.db2.gz QDIVEKFENWBMLI-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001203628583 1027488610 /nfs/dbraw/zinc/48/86/10/1027488610.db2.gz BYJWVCYAEIGWIA-HSQYWUDLSA-N 0 3 381.520 3.528 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001203628583 1027488622 /nfs/dbraw/zinc/48/86/22/1027488622.db2.gz BYJWVCYAEIGWIA-HSQYWUDLSA-N 0 3 381.520 3.528 20 10 GHCDHN COc1ccc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001203628901 1027490500 /nfs/dbraw/zinc/49/05/00/1027490500.db2.gz JWPXQPJIHSCMQE-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203656730 1027510829 /nfs/dbraw/zinc/51/08/29/1027510829.db2.gz WGBFFYRXXDSYGH-GOSISDBHSA-N 0 3 390.911 3.894 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)cc1 ZINC001203932968 1027726269 /nfs/dbraw/zinc/72/62/69/1027726269.db2.gz FHULORKOLLYXQO-QIDMFYOTSA-N 0 3 397.588 3.631 20 10 GHCDHN O=C1[C@@H](NCc2ccc(N3CCCC3)cc2)CCN1CCCc1ccccc1 ZINC001461282438 1069479590 /nfs/dbraw/zinc/47/95/90/1069479590.db2.gz DCQJLABGGADZPC-QHCPKHFHSA-N 0 3 377.532 3.610 20 10 GHCDHN CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000841045703 1028066767 /nfs/dbraw/zinc/06/67/67/1028066767.db2.gz OKHBIUUBTNEGFJ-QHCPKHFHSA-N 0 3 391.515 3.827 20 10 GHCDHN COc1cc(CNC(C)(C)C(=O)NCC2CCCC2)c(O)c(C(C)(C)C)c1 ZINC001461353574 1069514342 /nfs/dbraw/zinc/51/43/42/1069514342.db2.gz DSWAMDYPOSWONN-UHFFFAOYSA-N 0 3 376.541 3.873 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842927516 1029692949 /nfs/dbraw/zinc/69/29/49/1029692949.db2.gz RJHGQBAXDWSXGG-ZBFHGGJFSA-N 0 3 394.437 3.975 20 10 GHCDHN OCC1([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)CC=CC1 ZINC000843432715 1030005113 /nfs/dbraw/zinc/00/51/13/1030005113.db2.gz IRIJKDNDQKTVFZ-QHCPKHFHSA-N 0 3 396.506 3.822 20 10 GHCDHN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(O[C@H]2CC[C@@H]3NCCO[C@@H]32)=C1 ZINC001218118126 1030781602 /nfs/dbraw/zinc/78/16/02/1030781602.db2.gz CACQVVRWJRWBBL-OQABLQHJSA-N 0 3 384.392 3.614 20 10 GHCDHN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1O[C@H]1CC[C@@H]2NCCO[C@H]21 ZINC001218149757 1030798254 /nfs/dbraw/zinc/79/82/54/1030798254.db2.gz QKHZLPJHUOPJCJ-CMPNRQHTSA-N 0 3 384.392 3.614 20 10 GHCDHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cc1 ZINC001224784891 1031120257 /nfs/dbraw/zinc/12/02/57/1031120257.db2.gz ZKQUVAQYUUVURL-SFTDATJTSA-N 0 3 386.515 3.945 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(C)C)C3)c1[O-] ZINC001277067154 1031565583 /nfs/dbraw/zinc/56/55/83/1031565583.db2.gz URIOKFDAJMNRFG-FQEVSTJZSA-N 0 3 380.916 3.667 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@]23CC(=O)N(CC(C)C)C3)c1[O-] ZINC001277067154 1031565594 /nfs/dbraw/zinc/56/55/94/1031565594.db2.gz URIOKFDAJMNRFG-FQEVSTJZSA-N 0 3 380.916 3.667 20 10 GHCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427735 1033768234 /nfs/dbraw/zinc/76/82/34/1033768234.db2.gz VRWMGWBLRKOWNP-AUUYWEPGSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427735 1033768248 /nfs/dbraw/zinc/76/82/48/1033768248.db2.gz VRWMGWBLRKOWNP-AUUYWEPGSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NC(=O)NCCCSc3nccs3)C2)cc1 ZINC001230249055 1033960981 /nfs/dbraw/zinc/96/09/81/1033960981.db2.gz HNDFJAMJAVHWSQ-QGZVFWFLSA-N 0 3 390.578 3.507 20 10 GHCDHN CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001207128938 1034113022 /nfs/dbraw/zinc/11/30/22/1034113022.db2.gz IJPFMUSTTDZHDL-JOCHJYFZSA-N 0 3 388.467 3.888 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N(C)C)cc1 ZINC001158717014 1034243580 /nfs/dbraw/zinc/24/35/80/1034243580.db2.gz KJPJONLWVAECBE-KRWDZBQOSA-N 0 3 384.505 3.502 20 10 GHCDHN CN(C)C1=NOC2(C1)CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231466828 1034612502 /nfs/dbraw/zinc/61/25/02/1034612502.db2.gz FOPMIWCUKOKSIK-UHFFFAOYSA-N 0 3 395.503 3.601 20 10 GHCDHN COc1ccc(Br)c(C[NH+]2CCC(c3ccncc3)CC2)c1[O-] ZINC001231553605 1034705257 /nfs/dbraw/zinc/70/52/57/1034705257.db2.gz ZQQCWTZLYNLGNI-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1ccc(Br)c(CN2CCC(c3ccncc3)CC2)c1O ZINC001231553605 1034705265 /nfs/dbraw/zinc/70/52/65/1034705265.db2.gz ZQQCWTZLYNLGNI-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c([O-])ccc3ccccc32)cs1 ZINC001231588790 1034743809 /nfs/dbraw/zinc/74/38/09/1034743809.db2.gz QIVZUPSPASQMJP-VQTJNVASSA-N 0 3 393.512 3.686 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2c([O-])ccc3ccccc32)cs1 ZINC001231588790 1034743822 /nfs/dbraw/zinc/74/38/22/1034743822.db2.gz QIVZUPSPASQMJP-VQTJNVASSA-N 0 3 393.512 3.686 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001231588588 1034744565 /nfs/dbraw/zinc/74/45/65/1034744565.db2.gz YFQREZXADVVGIT-NWSQWKLXSA-N 0 3 376.456 3.751 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001231588588 1034744576 /nfs/dbraw/zinc/74/45/76/1034744576.db2.gz YFQREZXADVVGIT-NWSQWKLXSA-N 0 3 376.456 3.751 20 10 GHCDHN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cccc(C)c1O ZINC001231595399 1034750755 /nfs/dbraw/zinc/75/07/55/1034750755.db2.gz YYFMOUCPKLOPQG-LJQANCHMSA-N 0 3 399.487 3.770 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]1C ZINC001231849751 1034941751 /nfs/dbraw/zinc/94/17/51/1034941751.db2.gz YEKJTASIXBXOMI-IAGOWNOFSA-N 0 3 391.556 3.886 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001231856042 1034945799 /nfs/dbraw/zinc/94/57/99/1034945799.db2.gz KHLYTUJBTMBAIR-JOCHJYFZSA-N 0 3 391.556 3.888 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1nc(Cl)nc2c1CCC2)c1ccccc1O ZINC001160616496 1035016952 /nfs/dbraw/zinc/01/69/52/1035016952.db2.gz KUKNDWFVVGITME-RTBURBONSA-N 0 3 396.878 3.883 20 10 GHCDHN Cc1cnc2c(ccnc2N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160623253 1035018881 /nfs/dbraw/zinc/01/88/81/1035018881.db2.gz IKMNJPFRQMBNMC-WOJBJXKFSA-N 0 3 387.443 3.598 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cc(C)nc(C)c4)C3)C2)cc1 ZINC001231999513 1035033078 /nfs/dbraw/zinc/03/30/78/1035033078.db2.gz VODNRFGOWMNSEO-XMMPIXPASA-N 0 3 395.547 3.826 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001461987564 1069931282 /nfs/dbraw/zinc/93/12/82/1069931282.db2.gz AOWNESZGIKGUMD-ZYSHUDEJSA-N 0 3 390.524 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001461987564 1069931283 /nfs/dbraw/zinc/93/12/83/1069931283.db2.gz AOWNESZGIKGUMD-ZYSHUDEJSA-N 0 3 390.524 3.834 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1[O-] ZINC001233105861 1038892364 /nfs/dbraw/zinc/89/23/64/1038892364.db2.gz BMDNRTWPJRSNSP-ABAIWWIYSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1[O-] ZINC001233105861 1038892385 /nfs/dbraw/zinc/89/23/85/1038892385.db2.gz BMDNRTWPJRSNSP-ABAIWWIYSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001233105861 1038892406 /nfs/dbraw/zinc/89/24/06/1038892406.db2.gz BMDNRTWPJRSNSP-ABAIWWIYSA-N 0 3 396.247 3.988 20 10 GHCDHN CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333252 1039129763 /nfs/dbraw/zinc/12/97/63/1039129763.db2.gz OYPNQTSFDDHTCR-OAHLLOKOSA-N 0 3 392.446 3.519 20 10 GHCDHN CCOC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)Cc2c1cnn2CC ZINC001234535706 1040108872 /nfs/dbraw/zinc/10/88/72/1040108872.db2.gz DSRCLNHDATVGQC-QGZVFWFLSA-N 0 3 395.503 3.906 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC3)c2c1 ZINC001234536838 1040110504 /nfs/dbraw/zinc/11/05/04/1040110504.db2.gz SKCZAANXEUYNSZ-SFTDATJTSA-N 0 3 380.488 3.529 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC3)c2c1 ZINC001234536838 1040110506 /nfs/dbraw/zinc/11/05/06/1040110506.db2.gz SKCZAANXEUYNSZ-SFTDATJTSA-N 0 3 380.488 3.529 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(C[C@@H]4C(=O)NC4CCC4)CC3)c2c1 ZINC001234544332 1040115471 /nfs/dbraw/zinc/11/54/71/1040115471.db2.gz HGEKGTZLSSNIHM-OAQYLSRUSA-N 0 3 394.515 3.825 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(c4cccc(C)n4)CC3)c2c1 ZINC001234561835 1040129574 /nfs/dbraw/zinc/12/95/74/1040129574.db2.gz CKYNKNGTURARIJ-UHFFFAOYSA-N 0 3 377.488 3.970 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(c4cccc(C)n4)CC3)c2c1 ZINC001234561835 1040129585 /nfs/dbraw/zinc/12/95/85/1040129585.db2.gz CKYNKNGTURARIJ-UHFFFAOYSA-N 0 3 377.488 3.970 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+]([C@@H]1CCCOC1)C[C@@H]2c1ccc(O)cc1 ZINC001254385515 1040205536 /nfs/dbraw/zinc/20/55/36/1040205536.db2.gz GQPAOSQZPHUYLX-RDTXWAMCSA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+]([C@@H]1CCCOC1)C[C@@H]2c1ccc(O)cc1 ZINC001254385515 1040205548 /nfs/dbraw/zinc/20/55/48/1040205548.db2.gz GQPAOSQZPHUYLX-RDTXWAMCSA-N 0 3 389.879 3.626 20 10 GHCDHN COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235002329 1040495132 /nfs/dbraw/zinc/49/51/32/1040495132.db2.gz YVWHAZCDNZFCIB-LJQANCHMSA-N 0 3 391.471 3.820 20 10 GHCDHN COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235002329 1040495142 /nfs/dbraw/zinc/49/51/42/1040495142.db2.gz YVWHAZCDNZFCIB-LJQANCHMSA-N 0 3 391.471 3.820 20 10 GHCDHN CN(C)CC[N@H+](Cc1ccccc1)Cc1cc(Br)cc(F)c1[O-] ZINC001235056607 1040546459 /nfs/dbraw/zinc/54/64/59/1040546459.db2.gz BFXTZEJZFGEOQA-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(F)c1[O-] ZINC001235056607 1040546473 /nfs/dbraw/zinc/54/64/73/1040546473.db2.gz BFXTZEJZFGEOQA-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c([O-])c1 ZINC001235678407 1041137145 /nfs/dbraw/zinc/13/71/45/1041137145.db2.gz HKTWVUNLEHRDGC-HXUWFJFHSA-N 0 3 393.531 3.723 20 10 GHCDHN COC(=O)c1c(CN2CCN[C@@H](c3ccc(Cl)cc3)C2)c2ccccc2n1C ZINC001235787901 1041275917 /nfs/dbraw/zinc/27/59/17/1041275917.db2.gz FFQATTHVLAELEF-LJQANCHMSA-N 0 3 397.906 3.765 20 10 GHCDHN CCOc1cccc(CN2CCN[C@H](c3cccc(Br)c3)C2)c1O ZINC001235793433 1041290631 /nfs/dbraw/zinc/29/06/31/1041290631.db2.gz HUKBNWULBJXXAA-KRWDZBQOSA-N 0 3 391.309 3.700 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235816390 1041330302 /nfs/dbraw/zinc/33/03/02/1041330302.db2.gz SCDGFVKOTQFGGS-MRXNPFEDSA-N 0 3 381.701 3.955 20 10 GHCDHN Cc1ccc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001256236633 1041670361 /nfs/dbraw/zinc/67/03/61/1041670361.db2.gz IVRKZYQJRXVFAM-JOCHJYFZSA-N 0 3 382.552 3.814 20 10 GHCDHN COc1cc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c([O-])cc1Br ZINC001236755514 1041874340 /nfs/dbraw/zinc/87/43/40/1041874340.db2.gz DTNNURWLNHKHAM-UHFFFAOYSA-N 0 3 394.309 3.936 20 10 GHCDHN COc1cc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c([O-])cc1Br ZINC001236755514 1041874345 /nfs/dbraw/zinc/87/43/45/1041874345.db2.gz DTNNURWLNHKHAM-UHFFFAOYSA-N 0 3 394.309 3.936 20 10 GHCDHN CCN1CC[C@@]2(C[N@H+](Cc3c(C)cc(OC)cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001236808698 1041909732 /nfs/dbraw/zinc/90/97/32/1041909732.db2.gz BGMYXMFRNUYSMR-QPPBQGQZSA-N 0 3 394.515 3.547 20 10 GHCDHN CCN1CC[C@@]2(C[N@@H+](Cc3c(C)cc(OC)cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001236808698 1041909736 /nfs/dbraw/zinc/90/97/36/1041909736.db2.gz BGMYXMFRNUYSMR-QPPBQGQZSA-N 0 3 394.515 3.547 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821695 1041916890 /nfs/dbraw/zinc/91/68/90/1041916890.db2.gz SKJLDXJGFNCVLE-ROUUACIJSA-N 0 3 378.513 3.977 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821695 1041916891 /nfs/dbraw/zinc/91/68/91/1041916891.db2.gz SKJLDXJGFNCVLE-ROUUACIJSA-N 0 3 378.513 3.977 20 10 GHCDHN O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236829200 1041919985 /nfs/dbraw/zinc/91/99/85/1041919985.db2.gz GJYIQKMRFWFYDI-OAQYLSRUSA-N 0 3 387.483 3.579 20 10 GHCDHN O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236833921 1041922007 /nfs/dbraw/zinc/92/20/07/1041922007.db2.gz ZGSXNGJMGLXZFF-FQEVSTJZSA-N 0 3 394.515 3.585 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CCC[C@H](F)CC3)cc2C1 ZINC001236847497 1041927253 /nfs/dbraw/zinc/92/72/53/1041927253.db2.gz OVJZNGFJTHVTTB-KRWDZBQOSA-N 0 3 394.487 3.846 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CCC[C@H](F)CC3)cc2C1 ZINC001236847497 1041927255 /nfs/dbraw/zinc/92/72/55/1041927255.db2.gz OVJZNGFJTHVTTB-KRWDZBQOSA-N 0 3 394.487 3.846 20 10 GHCDHN F[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1N1CCCCC1 ZINC001236927961 1041961382 /nfs/dbraw/zinc/96/13/82/1041961382.db2.gz ZPTFKSFEDABZFU-SFTDATJTSA-N 0 3 395.950 3.575 20 10 GHCDHN COC(=O)[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)Cc2ccccc21 ZINC001237063370 1042016392 /nfs/dbraw/zinc/01/63/92/1042016392.db2.gz UNNSUXDOCMJAFH-KRWDZBQOSA-N 0 3 395.377 3.606 20 10 GHCDHN Oc1cccc(OC(F)(F)F)c1CN(Cc1cccnc1)C1CCOCC1 ZINC001237121954 1042049600 /nfs/dbraw/zinc/04/96/00/1042049600.db2.gz CUTCAFZFMVFRIU-UHFFFAOYSA-N 0 3 382.382 3.867 20 10 GHCDHN [O-]c1cccc(OC(F)(F)F)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001237121954 1042049609 /nfs/dbraw/zinc/04/96/09/1042049609.db2.gz CUTCAFZFMVFRIU-UHFFFAOYSA-N 0 3 382.382 3.867 20 10 GHCDHN [O-]c1cccc(OC(F)(F)F)c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001237121954 1042049611 /nfs/dbraw/zinc/04/96/11/1042049611.db2.gz CUTCAFZFMVFRIU-UHFFFAOYSA-N 0 3 382.382 3.867 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1C ZINC001237125128 1042053284 /nfs/dbraw/zinc/05/32/84/1042053284.db2.gz JEDSJIZWJWPJAQ-QWHCGFSZSA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1C ZINC001237125128 1042053287 /nfs/dbraw/zinc/05/32/87/1042053287.db2.gz JEDSJIZWJWPJAQ-QWHCGFSZSA-N 0 3 375.387 3.702 20 10 GHCDHN O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237643790 1042301375 /nfs/dbraw/zinc/30/13/75/1042301375.db2.gz RVHPIXMUNRSYMB-UHFFFAOYSA-N 0 3 380.463 3.785 20 10 GHCDHN O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237643790 1042301380 /nfs/dbraw/zinc/30/13/80/1042301380.db2.gz RVHPIXMUNRSYMB-UHFFFAOYSA-N 0 3 380.463 3.785 20 10 GHCDHN Cc1cncnc1O[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237649195 1042303448 /nfs/dbraw/zinc/30/34/48/1042303448.db2.gz JHJFOBWNBVMUTJ-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237649195 1042303455 /nfs/dbraw/zinc/30/34/55/1042303455.db2.gz JHJFOBWNBVMUTJ-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1[O-] ZINC001237678470 1042319522 /nfs/dbraw/zinc/31/95/22/1042319522.db2.gz BUXSOTQXDFKADO-QVKFZJNVSA-N 0 3 385.895 3.624 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1[O-] ZINC001237678470 1042319529 /nfs/dbraw/zinc/31/95/29/1042319529.db2.gz BUXSOTQXDFKADO-QVKFZJNVSA-N 0 3 385.895 3.624 20 10 GHCDHN Cc1cc(O)c(CN2CCC3(CC(F)(F)CO3)CC2)cc1Br ZINC001237679094 1042321072 /nfs/dbraw/zinc/32/10/72/1042321072.db2.gz DYQZKPCOHFVIBI-UHFFFAOYSA-N 0 3 376.241 3.853 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c(C)cc2[O-])C[C@@H]1C ZINC001237686573 1042326329 /nfs/dbraw/zinc/32/63/29/1042326329.db2.gz VHZIEJCKPFDANI-KBPBESRZSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C[C@@H]1C ZINC001237686573 1042326338 /nfs/dbraw/zinc/32/63/38/1042326338.db2.gz VHZIEJCKPFDANI-KBPBESRZSA-N 0 3 384.314 3.874 20 10 GHCDHN Cc1cc(F)cc(CN2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c1O ZINC001238056358 1042477621 /nfs/dbraw/zinc/47/76/21/1042477621.db2.gz HJNXLNQLIGTUOG-FQEVSTJZSA-N 0 3 384.451 3.998 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)c1[O-] ZINC001238059276 1042478115 /nfs/dbraw/zinc/47/81/15/1042478115.db2.gz BHGQIZRRWXJRRN-HXUWFJFHSA-N 0 3 382.479 3.678 20 10 GHCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2ccccc2Br)cc1 ZINC001307896402 1049674333 /nfs/dbraw/zinc/67/43/33/1049674333.db2.gz ARZYZWHZXTZTBN-LJQANCHMSA-N 0 3 393.325 3.559 20 10 GHCDHN COc1ccc(N(C)CCN(C)Cc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC001307898089 1049675933 /nfs/dbraw/zinc/67/59/33/1049675933.db2.gz XTEKHWFIIJVWTL-UHFFFAOYSA-N 0 3 383.536 3.649 20 10 GHCDHN COc1cc(C)cc(CN2CCN(c3cccc(Br)c3)CC2)c1O ZINC001308757523 1050084113 /nfs/dbraw/zinc/08/41/13/1050084113.db2.gz DUNIPHVKAQCUPK-UHFFFAOYSA-N 0 3 391.309 3.794 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC001308821523 1050107086 /nfs/dbraw/zinc/10/70/86/1050107086.db2.gz RUDKAUVWADISQQ-HXUWFJFHSA-N 0 3 381.447 3.976 20 10 GHCDHN COc1cc(C)c(CNCC(=O)Nc2ccc(Br)c(C)c2)c(O)c1 ZINC001308828294 1050112043 /nfs/dbraw/zinc/11/20/43/1050112043.db2.gz BXVLGPYDCIXZKQ-UHFFFAOYSA-N 0 3 393.281 3.508 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001308874737 1050133206 /nfs/dbraw/zinc/13/32/06/1050133206.db2.gz JXYYGRJLGFXTQR-SFHVURJKSA-N 0 3 399.329 3.952 20 10 GHCDHN Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)c([O-])c1 ZINC001308936042 1050196510 /nfs/dbraw/zinc/19/65/10/1050196510.db2.gz LFMNOMLSPKTKAJ-GOSISDBHSA-N 0 3 390.524 3.596 20 10 GHCDHN CC(C)c1noc(CCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC001319897095 1055529196 /nfs/dbraw/zinc/52/91/96/1055529196.db2.gz VUHXRCLVDFUTNV-AWEZNQCLSA-N 0 3 378.904 3.576 20 10 GHCDHN COCCn1c(C)c(C)c2cc(-c3nc([C@@H]4CN5CCC4CC5)no3)ccc21 ZINC001320206606 1055705244 /nfs/dbraw/zinc/70/52/44/1055705244.db2.gz CDQOMNQWNVCKQZ-LJQANCHMSA-N 0 3 380.492 3.764 20 10 GHCDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(N3CCN(C)CC3)c(F)c1)CCC2 ZINC001323309147 1056951451 /nfs/dbraw/zinc/95/14/51/1056951451.db2.gz FYBLBUMOKFAQIL-FQEVSTJZSA-N 0 3 388.556 3.852 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000848527213 1057150128 /nfs/dbraw/zinc/15/01/28/1057150128.db2.gz VDLDRPPWVUBDLZ-ZUZCIYMTSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])c1 ZINC000848527629 1057151708 /nfs/dbraw/zinc/15/17/08/1057151708.db2.gz DEACZLXLNBMVIA-BZNIZROVSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000848531626 1057153363 /nfs/dbraw/zinc/15/33/63/1057153363.db2.gz QCLLSAPFROFTDT-LLVKDONJSA-N 0 3 388.302 3.936 20 10 GHCDHN CCOC(CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])OCC ZINC000848546793 1057168349 /nfs/dbraw/zinc/16/83/49/1057168349.db2.gz FOASGHOIYSVCEU-NSHDSACASA-N 0 3 376.291 3.603 20 10 GHCDHN CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000848922010 1057424416 /nfs/dbraw/zinc/42/44/16/1057424416.db2.gz YXKKIQTWCITEJU-JOCHJYFZSA-N 0 3 394.515 3.708 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)cc2)CC1 ZINC001443660643 1059169942 /nfs/dbraw/zinc/16/99/42/1059169942.db2.gz CMXFOENYVKFULI-QFIPXVFZSA-N 0 3 375.532 3.752 20 10 GHCDHN CN(C)CCN(C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001464575422 1065090323 /nfs/dbraw/zinc/09/03/23/1065090323.db2.gz MNXUVBMXHKXGPW-UHFFFAOYSA-N 0 3 387.524 3.539 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=S)NCCN1CCCCC1 ZINC001200445321 1066245129 /nfs/dbraw/zinc/24/51/29/1066245129.db2.gz YUKMUJOQGVGQPI-IBGZPJMESA-N 0 3 375.582 3.582 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N(Cc2ccccc2)C2CC2)N(C)C)cc1 ZINC001471542911 1073123344 /nfs/dbraw/zinc/12/33/44/1073123344.db2.gz DYCKXPJDPAAEGY-JOCHJYFZSA-N 0 3 380.536 3.730 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](c3cccc(F)c3)C2)N(C)C)cc1 ZINC001471547940 1073126754 /nfs/dbraw/zinc/12/67/54/1073126754.db2.gz QBIMYUZSHDDNKE-SIKLNZKXSA-N 0 3 398.526 3.694 20 10 GHCDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCCO1 ZINC001472756666 1073652896 /nfs/dbraw/zinc/65/28/96/1073652896.db2.gz UYZRXOBIUGOTCU-KRWDZBQOSA-N 0 3 397.475 3.739 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC001473916756 1074202566 /nfs/dbraw/zinc/20/25/66/1074202566.db2.gz HRAZCCAQSQKZJM-JOCHJYFZSA-N 0 3 377.532 3.958 20 10 GHCDHN CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)NCc1cccs1 ZINC001474191885 1074288744 /nfs/dbraw/zinc/28/87/44/1074288744.db2.gz BJSPDMIPSVUWSR-SFHVURJKSA-N 0 3 377.529 3.918 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)c([O-])c1 ZINC001474575040 1074468857 /nfs/dbraw/zinc/46/88/57/1074468857.db2.gz VNQVVZXHVDAWTK-NRFANRHFSA-N 0 3 377.431 3.933 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000180601524 837382505 /nfs/dbraw/zinc/38/25/05/837382505.db2.gz MDGBWFAFKIIIJU-CABCVRRESA-N 0 3 396.281 3.844 20 10 GHCDHN COc1ccc(N2CCC(NCc3nc4cc(Cl)ccc4n3C)CC2)cc1 ZINC000121033738 837975045 /nfs/dbraw/zinc/97/50/45/837975045.db2.gz TYJILUFXAMWWAO-UHFFFAOYSA-N 0 3 384.911 3.994 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163881747 838429953 /nfs/dbraw/zinc/42/99/53/838429953.db2.gz LUBLCAADGQQPGD-KRWDZBQOSA-N 0 3 397.494 3.640 20 10 GHCDHN COc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000067979066 841069876 /nfs/dbraw/zinc/06/98/76/841069876.db2.gz XHJMLNIWGADLCY-QZTJIDSGSA-N 0 3 382.504 3.543 20 10 GHCDHN CCC[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1[O-] ZINC000178720110 845258590 /nfs/dbraw/zinc/25/85/90/845258590.db2.gz ZKBYVMXDMLCJKP-UHFFFAOYSA-N 0 3 395.503 3.525 20 10 GHCDHN CCC[N@@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1[O-] ZINC000178720110 845258602 /nfs/dbraw/zinc/25/86/02/845258602.db2.gz ZKBYVMXDMLCJKP-UHFFFAOYSA-N 0 3 395.503 3.525 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000731847401 861906131 /nfs/dbraw/zinc/90/61/31/861906131.db2.gz KBIWRDJZKNZEQL-UHFFFAOYSA-N 0 3 396.487 3.937 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000731847401 861906150 /nfs/dbraw/zinc/90/61/50/861906150.db2.gz KBIWRDJZKNZEQL-UHFFFAOYSA-N 0 3 396.487 3.937 20 10 GHCDHN COc1ccccc1CCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204568 862144912 /nfs/dbraw/zinc/14/49/12/862144912.db2.gz NQRCLFNCQYEPII-UHFFFAOYSA-N 0 3 382.504 3.504 20 10 GHCDHN COc1ccccc1CCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204568 862144917 /nfs/dbraw/zinc/14/49/17/862144917.db2.gz NQRCLFNCQYEPII-UHFFFAOYSA-N 0 3 382.504 3.504 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000760031585 854180544 /nfs/dbraw/zinc/18/05/44/854180544.db2.gz DLKFDVPEWCZVRT-TZMCWYRMSA-N 0 3 382.273 3.796 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000761215446 859333981 /nfs/dbraw/zinc/33/39/81/859333981.db2.gz LNBNSHNFGJJLGW-QAPCUYQASA-N 0 3 395.286 3.769 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2ccccc2o1 ZINC000765257195 859874950 /nfs/dbraw/zinc/87/49/50/859874950.db2.gz XSVUOBVHZXJVAT-APWZRJJASA-N 0 3 377.488 3.985 20 10 GHCDHN Cc1c(Cl)cccc1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765372082 859933010 /nfs/dbraw/zinc/93/30/10/859933010.db2.gz RFNPRHAMASXZNS-MRXNPFEDSA-N 0 3 387.911 3.774 20 10 GHCDHN CN(C)c1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000727467438 860105325 /nfs/dbraw/zinc/10/53/25/860105325.db2.gz YESZGDCTMXHJRJ-UHFFFAOYSA-N 0 3 393.453 3.898 20 10 GHCDHN COc1ccc(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)c(O)c1OC ZINC000896034145 860275708 /nfs/dbraw/zinc/27/57/08/860275708.db2.gz PZPOITBYPPVGBT-KRWDZBQOSA-N 0 3 385.460 3.572 20 10 GHCDHN COc1ccc(CN[C@H]2CCOc3ccc(Br)cc32)c(O)c1OC ZINC000896532518 860866646 /nfs/dbraw/zinc/86/66/46/860866646.db2.gz XTLFORAAVLPHDR-AWEZNQCLSA-N 0 3 394.265 3.785 20 10 GHCDHN COc1ccc(CN[C@@H]2CCOc3ccc(Br)cc32)c(O)c1OC ZINC000896538642 860938331 /nfs/dbraw/zinc/93/83/31/860938331.db2.gz XTLFORAAVLPHDR-CQSZACIVSA-N 0 3 394.265 3.785 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000896921947 863878703 /nfs/dbraw/zinc/87/87/03/863878703.db2.gz VHJFVJQZWQVOHT-OAQYLSRUSA-N 0 3 383.488 3.789 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000734658248 864375322 /nfs/dbraw/zinc/37/53/22/864375322.db2.gz FRKYWLCEZNBHDX-JOCHJYFZSA-N 0 3 380.536 3.697 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1[O-] ZINC000184670460 864828440 /nfs/dbraw/zinc/82/84/40/864828440.db2.gz SYBAVLYOUQYZQK-DZGCQCFKSA-N 0 3 378.394 3.863 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000174372726 865742053 /nfs/dbraw/zinc/74/20/53/865742053.db2.gz HGVCRMPDAPKIHW-QGZVFWFLSA-N 0 3 395.503 3.758 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000185340122 865985658 /nfs/dbraw/zinc/98/56/58/865985658.db2.gz ROQMKTQBWMERDN-HNNXBMFYSA-N 0 3 396.578 3.686 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000742391693 867256919 /nfs/dbraw/zinc/25/69/19/867256919.db2.gz LMXYPWOFJLUYDX-QPTUXGOLSA-N 0 3 389.543 3.924 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cc(F)ccc1[O-] ZINC000793560119 882268208 /nfs/dbraw/zinc/26/82/08/882268208.db2.gz MJHWCIHHUXQVIN-XMHCIUCPSA-N 0 3 397.450 3.607 20 10 GHCDHN COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000793592884 882297994 /nfs/dbraw/zinc/29/79/94/882297994.db2.gz DRFRSXUXUDLJGS-DEOSSOPVSA-N 0 3 391.467 3.871 20 10 GHCDHN COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000793592884 882298006 /nfs/dbraw/zinc/29/80/06/882298006.db2.gz DRFRSXUXUDLJGS-DEOSSOPVSA-N 0 3 391.467 3.871 20 10 GHCDHN COCCN1CCC(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000920821764 882371827 /nfs/dbraw/zinc/37/18/27/882371827.db2.gz LERYKWGWXOXATM-UHFFFAOYSA-N 0 3 389.927 3.588 20 10 GHCDHN C[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000766399564 870699915 /nfs/dbraw/zinc/69/99/15/870699915.db2.gz YSJGUGPYQDYYPA-LJQANCHMSA-N 0 3 379.548 3.885 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC1CCC1)c1ccccc1)cc2=O ZINC000181352276 870903690 /nfs/dbraw/zinc/90/36/90/870903690.db2.gz KZMORLDCSYNOEZ-LJQANCHMSA-N 0 3 394.475 3.633 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1[O-] ZINC001195333737 872356855 /nfs/dbraw/zinc/35/68/55/872356855.db2.gz KEWAOWAMCCUZFQ-UTKZUKDTSA-N 0 3 384.907 3.955 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1[O-] ZINC001195333737 872356870 /nfs/dbraw/zinc/35/68/70/872356870.db2.gz KEWAOWAMCCUZFQ-UTKZUKDTSA-N 0 3 384.907 3.955 20 10 GHCDHN COc1cc(O)c(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1OC ZINC000775654336 872389708 /nfs/dbraw/zinc/38/97/08/872389708.db2.gz ZLAYBYZZKZJVMA-GOSISDBHSA-N 0 3 399.491 3.586 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000775699484 872953026 /nfs/dbraw/zinc/95/30/26/872953026.db2.gz FMSIXWWZKGMZCJ-HOCLYGCPSA-N 0 3 394.512 3.535 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768439425 873302586 /nfs/dbraw/zinc/30/25/86/873302586.db2.gz LOWLOZYTVDYMEL-KXBFYZLASA-N 0 3 375.852 3.515 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768439425 873302600 /nfs/dbraw/zinc/30/26/00/873302600.db2.gz LOWLOZYTVDYMEL-KXBFYZLASA-N 0 3 375.852 3.515 20 10 GHCDHN CCOc1cccc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1O ZINC000768528082 873359800 /nfs/dbraw/zinc/35/98/00/873359800.db2.gz IKLQCGDNCBESLN-IBGZPJMESA-N 0 3 383.492 3.967 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000177026877 882728153 /nfs/dbraw/zinc/72/81/53/882728153.db2.gz HICCPQVBHHWSGK-AWEZNQCLSA-N 0 3 392.927 3.719 20 10 GHCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527989551 873854261 /nfs/dbraw/zinc/85/42/61/873854261.db2.gz CONPEDURHXSBQK-BDJLRTHQSA-N 0 3 378.831 3.649 20 10 GHCDHN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775833776 874344293 /nfs/dbraw/zinc/34/42/93/874344293.db2.gz LVTYOJXKNIYOBH-GJZGRUSLSA-N 0 3 375.463 3.901 20 10 GHCDHN COc1cccc(CN2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c1O ZINC000770304256 874586792 /nfs/dbraw/zinc/58/67/92/874586792.db2.gz BSRQOEFSLLGYQB-OAQYLSRUSA-N 0 3 390.483 3.948 20 10 GHCDHN C[C@@H]1CN(Cc2cccc(CNCc3cc(F)c(N(C)C)cc3F)c2)CCO1 ZINC000858107910 882852429 /nfs/dbraw/zinc/85/24/29/882852429.db2.gz LYZQSCICJBQGFV-MRXNPFEDSA-N 0 3 389.490 3.541 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cccc(C(F)(F)F)c3)cc2F)CC1 ZINC001199014056 874764812 /nfs/dbraw/zinc/76/48/12/874764812.db2.gz PWUZQEDJKMQMBH-UHFFFAOYSA-N 0 3 381.417 3.886 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1[O-] ZINC000776174753 875691678 /nfs/dbraw/zinc/69/16/78/875691678.db2.gz SCXLHLMDRHRNPD-UHFFFAOYSA-N 0 3 395.341 3.734 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc3oc(=O)n(C)c3c2)c(C(F)(F)F)c1 ZINC000858293875 883006271 /nfs/dbraw/zinc/00/62/71/883006271.db2.gz IJRYKEPSRAXUNO-UHFFFAOYSA-N 0 3 379.382 3.506 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1 ZINC000850368974 876856406 /nfs/dbraw/zinc/85/64/06/876856406.db2.gz QVEWCZJGAAIDQZ-GHTZIAJQSA-N 0 3 386.561 3.768 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccccc3OCC(F)(F)F)cc2)CC1 ZINC000850405882 876887004 /nfs/dbraw/zinc/88/70/04/876887004.db2.gz JGTLEFQRXNKAAG-UHFFFAOYSA-N 0 3 394.437 3.879 20 10 GHCDHN Cn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(C2CCCCC2)n1 ZINC000850406811 876888217 /nfs/dbraw/zinc/88/82/17/876888217.db2.gz UXUBNFONNIDVGB-UHFFFAOYSA-N 0 3 382.552 3.719 20 10 GHCDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000850503811 876977925 /nfs/dbraw/zinc/97/79/25/876977925.db2.gz YZHQIYYMYXHBJX-CXUGXGMPSA-N 0 3 386.330 3.680 20 10 GHCDHN Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cnn1-c1ccccc1 ZINC000850566339 877031893 /nfs/dbraw/zinc/03/18/93/877031893.db2.gz MQGOTEMQYKOOIH-GOSISDBHSA-N 0 3 390.531 3.993 20 10 GHCDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccsc1 ZINC000746722607 877766787 /nfs/dbraw/zinc/76/67/87/877766787.db2.gz UOGPDFBQEOVYKQ-LJQANCHMSA-N 0 3 392.544 3.836 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(Cl)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000859229834 883681606 /nfs/dbraw/zinc/68/16/06/883681606.db2.gz NMAJDHMKGLTWSH-CQSZACIVSA-N 0 3 391.874 3.605 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H]3CCc4nc(Cl)ccc43)cc2F)CC1 ZINC000806137389 884359411 /nfs/dbraw/zinc/35/94/11/884359411.db2.gz JKQOHNFMMGVBMA-GOSISDBHSA-N 0 3 388.918 3.793 20 10 GHCDHN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000806846772 885021672 /nfs/dbraw/zinc/02/16/72/885021672.db2.gz WWAMMRZUTOYADH-XMSQKQJNSA-N 0 3 378.520 3.553 20 10 GHCDHN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000806846769 885022447 /nfs/dbraw/zinc/02/24/47/885022447.db2.gz WWAMMRZUTOYADH-AVRDEDQJSA-N 0 3 378.520 3.553 20 10 GHCDHN C[C@@H]1[C@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1 ZINC000806958485 885113691 /nfs/dbraw/zinc/11/36/91/885113691.db2.gz IROCSZRXPWEAQP-NVXWUHKLSA-N 0 3 390.578 3.588 20 10 GHCDHN CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)N(C)C)cc1 ZINC000807589470 885553453 /nfs/dbraw/zinc/55/34/53/885553453.db2.gz WASLBYOQGZZTDY-FQEVSTJZSA-N 0 3 385.508 3.624 20 10 GHCDHN CN(C(=O)NCCCSc1nccs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000762325214 886016174 /nfs/dbraw/zinc/01/61/74/886016174.db2.gz TZTOSACHENAEQP-QGZVFWFLSA-N 0 3 390.578 3.541 20 10 GHCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762648108 886615728 /nfs/dbraw/zinc/61/57/28/886615728.db2.gz GYRAIGCHOWSUOQ-WMLDXEAASA-N 0 3 385.346 3.696 20 10 GHCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])N2CCOCC2)o1 ZINC000808673572 886668199 /nfs/dbraw/zinc/66/81/99/886668199.db2.gz QVDWMEQYIMVZCM-YJBOKZPZSA-N 0 3 378.900 3.980 20 10 GHCDHN OC[C@H]1C=C[C@@H](N(Cc2cccs2)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809768971 887756777 /nfs/dbraw/zinc/75/67/77/887756777.db2.gz ZXMOPVATSTWJTE-PZJWPPBQSA-N 0 3 384.545 3.524 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1[O-] ZINC000809769982 887758158 /nfs/dbraw/zinc/75/81/58/887758158.db2.gz OUFVWUXPXHASME-KRWDZBQOSA-N 0 3 381.289 3.995 20 10 GHCDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000809778732 887827894 /nfs/dbraw/zinc/82/78/94/887827894.db2.gz VJBADVSPAXSKQF-LJQANCHMSA-N 0 3 382.504 3.709 20 10 GHCDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000809778732 887827906 /nfs/dbraw/zinc/82/79/06/887827906.db2.gz VJBADVSPAXSKQF-LJQANCHMSA-N 0 3 382.504 3.709 20 10 GHCDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000809778731 887828124 /nfs/dbraw/zinc/82/81/24/887828124.db2.gz VJBADVSPAXSKQF-IBGZPJMESA-N 0 3 382.504 3.709 20 10 GHCDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000809778731 887828144 /nfs/dbraw/zinc/82/81/44/887828144.db2.gz VJBADVSPAXSKQF-IBGZPJMESA-N 0 3 382.504 3.709 20 10 GHCDHN CCCC[C@H](C)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000810124692 888188564 /nfs/dbraw/zinc/18/85/64/888188564.db2.gz HRHSBSYHRDLBLI-RCCFBDPRSA-N 0 3 393.547 3.566 20 10 GHCDHN O=c1[nH]ccc2oc(CN[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21 ZINC000865478903 888375883 /nfs/dbraw/zinc/37/58/83/888375883.db2.gz ROEYORGVBQGQKF-ZDUSSCGKSA-N 0 3 389.402 3.893 20 10 GHCDHN Cc1nc(NCc2cc(Cl)c3cccnc3c2[O-])cc([C@H]2CCC[NH2+]C2)n1 ZINC001168521431 890233642 /nfs/dbraw/zinc/23/36/42/890233642.db2.gz BTIUYRSFNGFVCM-ZDUSSCGKSA-N 0 3 383.883 3.771 20 10 GHCDHN COc1ccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000124659361 891803721 /nfs/dbraw/zinc/80/37/21/891803721.db2.gz MBRRZNSKBWVSHK-OAQYLSRUSA-N 0 3 382.504 3.878 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000813792029 891982091 /nfs/dbraw/zinc/98/20/91/891982091.db2.gz OPVJIZALFCKGMB-AWEZNQCLSA-N 0 3 395.272 3.671 20 10 GHCDHN CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001134681837 893217344 /nfs/dbraw/zinc/21/73/44/893217344.db2.gz JWSORRVHZYIHGY-VXKWHMMOSA-N 0 3 383.536 3.674 20 10 GHCDHN Cc1cc(CN(C)[C@@H](CO)c2cccc(Br)c2)ccc1N(C)C ZINC000815080572 893428095 /nfs/dbraw/zinc/42/80/95/893428095.db2.gz DONFICWVIFMGBR-IBGZPJMESA-N 0 3 377.326 3.989 20 10 GHCDHN Cc1cc(CN[C@@](C)(CO)c2ccc(Br)cc2)ccc1N(C)C ZINC000815116307 893448687 /nfs/dbraw/zinc/44/86/87/893448687.db2.gz IISXJHCLSYAHNF-IBGZPJMESA-N 0 3 377.326 3.821 20 10 GHCDHN CCOCCOc1cc(C)ccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877103647 893486865 /nfs/dbraw/zinc/48/68/65/893486865.db2.gz XERDXJWXCHYVLH-UHFFFAOYSA-N 0 3 398.547 3.661 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCc3ccccc3C2)N(C)C)cc1 ZINC001134882058 893504900 /nfs/dbraw/zinc/50/49/00/893504900.db2.gz KYNNTDZEYGEAOF-VWNXMTODSA-N 0 3 379.548 3.667 20 10 GHCDHN COC[C@H](NCc1cc(OC)c(OC)cc1O)c1cccc(Br)c1 ZINC000877759918 893797984 /nfs/dbraw/zinc/79/79/84/893797984.db2.gz DDJZWFHZASLMMO-HNNXBMFYSA-N 0 3 396.281 3.649 20 10 GHCDHN COc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCCO ZINC000127622358 894942282 /nfs/dbraw/zinc/94/22/82/894942282.db2.gz FTVKTXKTNJZEQC-GOSISDBHSA-N 0 3 384.520 3.907 20 10 GHCDHN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000774909405 914005658 /nfs/dbraw/zinc/00/56/58/914005658.db2.gz MOQKSDADIJCFGF-SFHVURJKSA-N 0 3 399.491 3.653 20 10 GHCDHN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000774909405 914005677 /nfs/dbraw/zinc/00/56/77/914005677.db2.gz MOQKSDADIJCFGF-SFHVURJKSA-N 0 3 399.491 3.653 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941039 895970457 /nfs/dbraw/zinc/97/04/57/895970457.db2.gz IKKSBEPEPCVHTE-QZTJIDSGSA-N 0 3 392.341 3.961 20 10 GHCDHN CNC(=O)c1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 ZINC000796264446 914031634 /nfs/dbraw/zinc/03/16/34/914031634.db2.gz NZAJGUKNWYOJDU-UHFFFAOYSA-N 0 3 385.511 3.899 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000883290366 897455817 /nfs/dbraw/zinc/45/58/17/897455817.db2.gz SIZIURPUOMKWJO-XMMPIXPASA-N 0 3 390.506 3.852 20 10 GHCDHN COc1cc(CN2CCCN(Cc3cscn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000824702905 899777063 /nfs/dbraw/zinc/77/70/63/899777063.db2.gz UFGKGOIZATWOPU-UHFFFAOYSA-N 0 3 389.565 3.863 20 10 GHCDHN CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000156483031 899799650 /nfs/dbraw/zinc/79/96/50/899799650.db2.gz RFYYKZPTUUBZOY-HXUWFJFHSA-N 0 3 388.533 3.534 20 10 GHCDHN Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825046604 899950635 /nfs/dbraw/zinc/95/06/35/899950635.db2.gz VVIMBRLHHGOCOW-CVDCTZTESA-N 0 3 393.487 3.715 20 10 GHCDHN Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825046606 899950929 /nfs/dbraw/zinc/95/09/29/899950929.db2.gz VVIMBRLHHGOCOW-WMZHIEFXSA-N 0 3 393.487 3.715 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c([O-])c1 ZINC000825305442 900082045 /nfs/dbraw/zinc/08/20/45/900082045.db2.gz JDWILPCLTMEGJP-GOSISDBHSA-N 0 3 380.282 3.719 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)c([O-])c1 ZINC000825305442 900082052 /nfs/dbraw/zinc/08/20/52/900082052.db2.gz JDWILPCLTMEGJP-GOSISDBHSA-N 0 3 380.282 3.719 20 10 GHCDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000047036660 901269603 /nfs/dbraw/zinc/26/96/03/901269603.db2.gz BPKUDGPXKKEOMF-UHFFFAOYSA-N 0 3 384.549 3.623 20 10 GHCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000092710034 901506556 /nfs/dbraw/zinc/50/65/56/901506556.db2.gz VBTWSPYAWCGKDE-UHFFFAOYSA-N 0 3 382.504 3.918 20 10 GHCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000092710034 901506568 /nfs/dbraw/zinc/50/65/68/901506568.db2.gz VBTWSPYAWCGKDE-UHFFFAOYSA-N 0 3 382.504 3.918 20 10 GHCDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Br)cc(OC)c2[O-])c1 ZINC000845971832 902552365 /nfs/dbraw/zinc/55/23/65/902552365.db2.gz FJXYRQLJHIGTEE-JTQLQIEISA-N 0 3 382.254 3.728 20 10 GHCDHN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846123393 902700056 /nfs/dbraw/zinc/70/00/56/902700056.db2.gz QCZPBLGMBNKQEJ-NRFANRHFSA-N 0 3 390.483 3.837 20 10 GHCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC000846160611 902731253 /nfs/dbraw/zinc/73/12/53/902731253.db2.gz UGMZFLSEQRBVSH-ZBEGNZNMSA-N 0 3 378.831 3.649 20 10 GHCDHN COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000779005549 902738168 /nfs/dbraw/zinc/73/81/68/902738168.db2.gz XDLWUFSQQZSKIN-CYBMUJFWSA-N 0 3 395.297 3.734 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1[O-] ZINC000779024676 903076980 /nfs/dbraw/zinc/07/69/80/903076980.db2.gz OEXVMXMSDBKVFA-WMLDXEAASA-N 0 3 397.357 3.757 20 10 GHCDHN O=C(CCN(Cc1ccco1)Cc1ccccc1O)N1CCc2ccccc2C1 ZINC000189106268 905030380 /nfs/dbraw/zinc/03/03/80/905030380.db2.gz LRDKAVUPZSGSPB-UHFFFAOYSA-N 0 3 390.483 3.962 20 10 GHCDHN COc1cc(CN2CCN(c3cccc4cnccc43)C[C@H]2C)c(O)cc1C ZINC000773342344 905391789 /nfs/dbraw/zinc/39/17/89/905391789.db2.gz UCNXQGJFXONBLS-QGZVFWFLSA-N 0 3 377.488 3.968 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c([O-])c1 ZINC000185180883 907728162 /nfs/dbraw/zinc/72/81/62/907728162.db2.gz PAJUXGIFANLTSO-FGTMMUONSA-N 0 3 382.504 3.801 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(Br)s3)cc2F)CC1 ZINC001177162366 908440775 /nfs/dbraw/zinc/44/07/75/908440775.db2.gz NSVUGPIPWHYTII-UHFFFAOYSA-N 0 3 398.345 3.691 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773624262 908457101 /nfs/dbraw/zinc/45/71/01/908457101.db2.gz MDQDBAPAEAQVSR-WFXMLNOXSA-N 0 3 380.536 3.776 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3ccc(CC(C)C)nc3)cc2F)CC1 ZINC001177697792 908717701 /nfs/dbraw/zinc/71/77/01/908717701.db2.gz GFJZPACXOBUMPG-UHFFFAOYSA-N 0 3 384.543 3.851 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCC2 ZINC000192723532 908817005 /nfs/dbraw/zinc/81/70/05/908817005.db2.gz MASKINMELDEDSE-HSZRJFAPSA-N 0 3 395.503 3.971 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC001180064665 909923351 /nfs/dbraw/zinc/92/33/51/909923351.db2.gz RPUGUOCFUPQBIG-VOTSOKGWSA-N 0 3 384.568 3.862 20 10 GHCDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000091956446 911352025 /nfs/dbraw/zinc/35/20/25/911352025.db2.gz FLKWOOMIPZJOGP-UHFFFAOYSA-N 0 3 379.460 3.586 20 10 GHCDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000091956446 911352040 /nfs/dbraw/zinc/35/20/40/911352040.db2.gz FLKWOOMIPZJOGP-UHFFFAOYSA-N 0 3 379.460 3.586 20 10 GHCDHN CCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000092710640 911732597 /nfs/dbraw/zinc/73/25/97/911732597.db2.gz AUPGTYXJWOVWKI-IBGZPJMESA-N 0 3 381.520 3.762 20 10 GHCDHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000774472152 911778713 /nfs/dbraw/zinc/77/87/13/911778713.db2.gz LZXSNRHWDDIEJK-NVXWUHKLSA-N 0 3 380.916 3.513 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000774480699 911785400 /nfs/dbraw/zinc/78/54/00/911785400.db2.gz CGBIUSQPHLFIKI-IRXDYDNUSA-N 0 3 394.519 3.557 20 10 GHCDHN C[C@H](N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483993 911790278 /nfs/dbraw/zinc/79/02/78/911790278.db2.gz QYTHVIYXAGVJJR-UGSOOPFHSA-N 0 3 379.426 3.519 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000775201502 916221279 /nfs/dbraw/zinc/22/12/79/916221279.db2.gz UJILUVXNIQBLJN-QGZVFWFLSA-N 0 3 379.884 3.705 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000775201502 916221295 /nfs/dbraw/zinc/22/12/95/916221295.db2.gz UJILUVXNIQBLJN-QGZVFWFLSA-N 0 3 379.884 3.705 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000749114478 924027964 /nfs/dbraw/zinc/02/79/64/924027964.db2.gz FGGNVHKGFYPCHG-HWPZZCPQSA-N 0 3 384.245 3.514 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1[O-] ZINC000372409208 925401690 /nfs/dbraw/zinc/40/16/90/925401690.db2.gz QVOHFNKLHBFBGX-ZDUSSCGKSA-N 0 3 387.281 3.895 20 10 GHCDHN Cc1ccc([C@H](CNC(=O)c2csc(Cc3ccc(N)cc3)n2)N(C)C)cc1 ZINC000827814929 926043629 /nfs/dbraw/zinc/04/36/29/926043629.db2.gz KYXYDEWFUBITGM-FQEVSTJZSA-N 0 3 394.544 3.657 20 10 GHCDHN COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)s1 ZINC000827943653 926370183 /nfs/dbraw/zinc/37/01/83/926370183.db2.gz ZBXYTTWZGTZKPS-LBPRGKRZSA-N 0 3 380.897 3.977 20 10 GHCDHN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)s1 ZINC000827943653 926370188 /nfs/dbraw/zinc/37/01/88/926370188.db2.gz ZBXYTTWZGTZKPS-LBPRGKRZSA-N 0 3 380.897 3.977 20 10 GHCDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827957877 926409628 /nfs/dbraw/zinc/40/96/28/926409628.db2.gz OWYMHGNEPZLXON-NHCUHLMSSA-N 0 3 387.568 3.523 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1cccc(Br)c1 ZINC000725890349 926481293 /nfs/dbraw/zinc/48/12/93/926481293.db2.gz SBWWGYZZSWCFEW-INIZCTEOSA-N 0 3 390.325 3.681 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1Cc1ccccc1 ZINC000757766281 929793587 /nfs/dbraw/zinc/79/35/87/929793587.db2.gz IKSYBBKMIKHWPU-NQIIRXRSSA-N 0 3 380.536 3.557 20 10 GHCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000758487235 930059145 /nfs/dbraw/zinc/05/91/45/930059145.db2.gz XZTHPRXYWACLFR-MRXNPFEDSA-N 0 3 378.875 3.565 20 10 GHCDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000758487235 930059153 /nfs/dbraw/zinc/05/91/53/930059153.db2.gz XZTHPRXYWACLFR-MRXNPFEDSA-N 0 3 378.875 3.565 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)C3CCCC3)cc2)CC1 ZINC000758753718 930158883 /nfs/dbraw/zinc/15/88/83/930158883.db2.gz HSQXAOVVHCETLC-UHFFFAOYSA-N 0 3 386.584 3.939 20 10 GHCDHN C[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000781377004 930822370 /nfs/dbraw/zinc/82/23/70/930822370.db2.gz WZTSJWZHZFCPRZ-SFHVURJKSA-N 0 3 384.568 3.905 20 10 GHCDHN C[C@@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000927017744 932382623 /nfs/dbraw/zinc/38/26/23/932382623.db2.gz ZIPVLBHMXYVVET-SJLPKXTDSA-N 0 3 394.943 3.555 20 10 GHCDHN CCOc1cccc(CNCc2cc(Cl)ccc2N2CCOCC2)c1O ZINC000798499495 932674773 /nfs/dbraw/zinc/67/47/73/932674773.db2.gz XDNWUPNQZQLYOI-UHFFFAOYSA-N 0 3 376.884 3.571 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CNC(=S)NC3CCN(C)CC3)cc2Cl)C1 ZINC000799898523 933157045 /nfs/dbraw/zinc/15/70/45/933157045.db2.gz QPVLXNGJWPGOKB-OAHLLOKOSA-N 0 3 395.016 3.635 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)cc1F ZINC000829039189 935758326 /nfs/dbraw/zinc/75/83/26/935758326.db2.gz WIKOEXARVJAKRA-KRWDZBQOSA-N 0 3 392.906 3.735 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001221893396 1032565513 /nfs/dbraw/zinc/56/55/13/1032565513.db2.gz AQFCAGSXJXRLDX-RXVVDRJESA-N 0 3 380.536 3.523 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC001204280678 1032721540 /nfs/dbraw/zinc/72/15/40/1032721540.db2.gz BQTZYGAZNJONJY-UHFFFAOYSA-N 0 3 394.393 3.511 20 10 GHCDHN Cc1cc(C(=O)NC2(CCO)CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000779443295 1020789816 /nfs/dbraw/zinc/78/98/16/1020789816.db2.gz GZOXAVOXQIIHSO-UHFFFAOYSA-N 0 3 397.563 3.794 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3nccc4ccccc43)CC2)cc1 ZINC001156256487 1032944513 /nfs/dbraw/zinc/94/45/13/1032944513.db2.gz ARTXHNPOBWLXQY-UHFFFAOYSA-N 0 3 376.504 3.868 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000835044213 1021805614 /nfs/dbraw/zinc/80/56/14/1021805614.db2.gz HMWOLZSGCNYION-ICTHTSFCSA-N 0 3 381.564 3.880 20 10 GHCDHN CN(C)c1ccc(/C=C\CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000835049828 1021812873 /nfs/dbraw/zinc/81/28/73/1021812873.db2.gz UJKUMNZGJMGLKA-PLNGDYQASA-N 0 3 378.925 3.613 20 10 GHCDHN CCOC(=O)c1cnn(C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)c1C ZINC000835052420 1021820336 /nfs/dbraw/zinc/82/03/36/1021820336.db2.gz NSOWXCBVGSHXPK-VOTSOKGWSA-N 0 3 396.535 3.785 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000827390726 1022131851 /nfs/dbraw/zinc/13/18/51/1022131851.db2.gz RBIQYLZGMRPDRY-UHFFFAOYSA-N 0 3 379.548 3.620 20 10 GHCDHN COc1ccc(CNCc2ccc3c(c2)CCO3)cc1OCc1cccnc1 ZINC000725853269 1022387200 /nfs/dbraw/zinc/38/72/00/1022387200.db2.gz NQMFIBWMHUNHSS-UHFFFAOYSA-N 0 3 376.456 3.894 20 10 GHCDHN COc1cccc(O)c1CNCc1ccc(Oc2c(OC)cccc2OC)nc1 ZINC000725846394 1022387342 /nfs/dbraw/zinc/38/73/42/1022387342.db2.gz CYRKGPVXTHJARU-UHFFFAOYSA-N 0 3 396.443 3.895 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c(Cl)c1 ZINC001140924015 1022900247 /nfs/dbraw/zinc/90/02/47/1022900247.db2.gz KBGNIWLLLBWQFU-IAGOWNOFSA-N 0 3 389.952 3.672 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c([O-])c1 ZINC001140950328 1022972532 /nfs/dbraw/zinc/97/25/32/1022972532.db2.gz QKMAJWPBEJIAAN-FQEVSTJZSA-N 0 3 382.504 3.793 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001140952058 1022979722 /nfs/dbraw/zinc/97/97/22/1022979722.db2.gz CSKCOKAMQMBUKY-NQIIRXRSSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001140952058 1022979725 /nfs/dbraw/zinc/97/97/25/1022979725.db2.gz CSKCOKAMQMBUKY-NQIIRXRSSA-N 0 3 378.488 3.872 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141031337 1023297238 /nfs/dbraw/zinc/29/72/38/1023297238.db2.gz DIMMRBNIEYIRMV-UHFFFAOYSA-N 0 3 394.512 3.536 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035033 1023327436 /nfs/dbraw/zinc/32/74/36/1023327436.db2.gz ZOFDTMMUCGZGMK-MBSDFSHPSA-N 0 3 383.488 3.948 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035033 1023327440 /nfs/dbraw/zinc/32/74/40/1023327440.db2.gz ZOFDTMMUCGZGMK-MBSDFSHPSA-N 0 3 383.488 3.948 20 10 GHCDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000756028685 1023484805 /nfs/dbraw/zinc/48/48/05/1023484805.db2.gz SJHAFEKANQGFHH-QGZVFWFLSA-N 0 3 390.959 3.658 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756502319 1023685998 /nfs/dbraw/zinc/68/59/98/1023685998.db2.gz GZKYJQSSGCPFFM-LIRRHRJNSA-N 0 3 378.875 3.909 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)c([O-])c1 ZINC000756525657 1023697946 /nfs/dbraw/zinc/69/79/46/1023697946.db2.gz KDUILALPXYHLFF-CQSZACIVSA-N 0 3 391.309 3.934 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756569982 1023716633 /nfs/dbraw/zinc/71/66/33/1023716633.db2.gz TZLWQUHXVZOIFD-KPFFTGBYSA-N 0 3 384.495 3.613 20 10 GHCDHN CN1C(=O)C2(CCN(Cc3ccc4c(c3)CCCN4C)CC2)[C@@H]1c1ccccc1 ZINC001138355955 1024720758 /nfs/dbraw/zinc/72/07/58/1024720758.db2.gz CQVYPQZAZGIHPK-QHCPKHFHSA-N 0 3 389.543 3.865 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138389244 1024764027 /nfs/dbraw/zinc/76/40/27/1024764027.db2.gz HDEBQRHYRPSGGR-KRWDZBQOSA-N 0 3 391.556 3.888 20 10 GHCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](c2ccccc2)C1 ZINC001138499724 1024932817 /nfs/dbraw/zinc/93/28/17/1024932817.db2.gz GKNDDCGBJJQWLV-FYYLOGMGSA-N 0 3 394.515 3.650 20 10 GHCDHN CCOc1ccc(N2CCN(Cc3ccc(-n4ccnc4C)cc3)CC2)cc1 ZINC001138550459 1024999114 /nfs/dbraw/zinc/99/91/14/1024999114.db2.gz UGOXAXWRJJQBHR-UHFFFAOYSA-N 0 3 376.504 3.902 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)C(=O)N1CCCC1 ZINC000839072628 1025564215 /nfs/dbraw/zinc/56/42/15/1025564215.db2.gz DFOVIJRADSGOHW-HNNXBMFYSA-N 0 3 394.357 3.540 20 10 GHCDHN Fc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c2ncccc12 ZINC000839146382 1025642330 /nfs/dbraw/zinc/64/23/30/1025642330.db2.gz FWTZNTFYUNABBJ-UHFFFAOYSA-N 0 3 387.405 3.779 20 10 GHCDHN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(CN2CCCCC2)c1 ZINC000839559437 1026057024 /nfs/dbraw/zinc/05/70/24/1026057024.db2.gz XPFHYXUSKBQWRV-UHFFFAOYSA-N 0 3 379.504 3.761 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cccc(N2CCN(C)CC2)n1 ZINC001163486117 1026210401 /nfs/dbraw/zinc/21/04/01/1026210401.db2.gz DNURDDUYAJDCOA-JOCHJYFZSA-N 0 3 380.536 3.891 20 10 GHCDHN CN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3CN4c3ccccc3Cl)cc2)CC1 ZINC001139411384 1026284464 /nfs/dbraw/zinc/28/44/64/1026284464.db2.gz JBGKXMVQKNBLRA-SFTDATJTSA-N 0 3 396.966 3.555 20 10 GHCDHN CCC(C)(C)N1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 ZINC001164084101 1026405811 /nfs/dbraw/zinc/40/58/11/1026405811.db2.gz JLOSUCQPWCUIDH-UHFFFAOYSA-N 0 3 381.520 3.853 20 10 GHCDHN [O-]c1c(F)ccc(F)c1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001139686405 1026538520 /nfs/dbraw/zinc/53/85/20/1026538520.db2.gz YARAFXFKDJKVBP-UHFFFAOYSA-N 0 3 394.219 3.680 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccc(C)nc4)C3)C2)cc1 ZINC001139931283 1026740170 /nfs/dbraw/zinc/74/01/70/1026740170.db2.gz PDHNXLYUMCNYGC-QHCPKHFHSA-N 0 3 381.520 3.518 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001140054621 1026833833 /nfs/dbraw/zinc/83/38/33/1026833833.db2.gz UAEHITUZKNDBMR-GOSISDBHSA-N 0 3 386.467 3.624 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140101242 1026881589 /nfs/dbraw/zinc/88/15/89/1026881589.db2.gz MZRBVFBCFYLJRR-IAGOWNOFSA-N 0 3 387.321 3.719 20 10 GHCDHN CCN1CCCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)[C@@H](C)C1 ZINC001141860638 1027477567 /nfs/dbraw/zinc/47/75/67/1027477567.db2.gz COVVSFFMXPNMQC-SFHVURJKSA-N 0 3 381.520 3.771 20 10 GHCDHN CCN1CCCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)[C@H](C)C1 ZINC001141860637 1027478375 /nfs/dbraw/zinc/47/83/75/1027478375.db2.gz COVVSFFMXPNMQC-GOSISDBHSA-N 0 3 381.520 3.771 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCCN3Cc3csc(C)n3)CC2)c([O-])c1 ZINC001203621964 1027483662 /nfs/dbraw/zinc/48/36/62/1027483662.db2.gz LXINLUYOXZYEHB-UHFFFAOYSA-N 0 3 387.549 3.796 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1[O-] ZINC000840972805 1028007121 /nfs/dbraw/zinc/00/71/21/1028007121.db2.gz UIMATKWABNCYGE-HXUWFJFHSA-N 0 3 391.895 3.674 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000841327479 1028434219 /nfs/dbraw/zinc/43/42/19/1028434219.db2.gz MQHJPNLVZJCTQE-UHFFFAOYSA-N 0 3 394.519 3.823 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842926194 1029692314 /nfs/dbraw/zinc/69/23/14/1029692314.db2.gz BLYZWFBNHWNEHT-TZMCWYRMSA-N 0 3 398.400 3.806 20 10 GHCDHN Cc1cc(Br)c([O-])c(CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608851 1030232854 /nfs/dbraw/zinc/23/28/54/1030232854.db2.gz GPHJIZIAFKNKNG-KRWDZBQOSA-N 0 3 387.321 3.652 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(-c2noc(-c3nc4c(s3)CNCC4)n2)cc1 ZINC001217542518 1030479871 /nfs/dbraw/zinc/47/98/71/1030479871.db2.gz SWQSOLLYMLDGBL-UHFFFAOYSA-N 0 3 377.473 3.913 20 10 GHCDHN CC[C@@H](C)N1CCC2(CC[NH+](Cc3cc(Cl)cc(OC)c3[O-])CC2)C1=O ZINC001277066556 1031561819 /nfs/dbraw/zinc/56/18/19/1031561819.db2.gz BIARHDWBLZINRN-CQSZACIVSA-N 0 3 380.916 3.667 20 10 GHCDHN CCCCNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001277066928 1031563275 /nfs/dbraw/zinc/56/32/75/1031563275.db2.gz LWOSFPAXHFFQEA-MRXNPFEDSA-N 0 3 380.916 3.573 20 10 GHCDHN CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001277066928 1031563284 /nfs/dbraw/zinc/56/32/84/1031563284.db2.gz LWOSFPAXHFFQEA-MRXNPFEDSA-N 0 3 380.916 3.573 20 10 GHCDHN CN1CCN(c2ccc(NCc3c(O)cccc3Cl)c3cnccc32)CC1 ZINC001461822606 1069772061 /nfs/dbraw/zinc/77/20/61/1069772061.db2.gz NLHUEXJGKITWLG-UHFFFAOYSA-N 0 3 382.895 3.958 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cc(F)ccc1N(C)C ZINC001461832924 1069777767 /nfs/dbraw/zinc/77/77/67/1069777767.db2.gz CDNVPQSHSFLEDH-MRXNPFEDSA-N 0 3 388.506 3.633 20 10 GHCDHN [NH3+]CC1(c2ccccc2)CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001206755832 1033970547 /nfs/dbraw/zinc/97/05/47/1033970547.db2.gz RUQWTRZYXXXNRS-UHFFFAOYSA-N 0 3 393.300 3.786 20 10 GHCDHN CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231449242 1034594833 /nfs/dbraw/zinc/59/48/33/1034594833.db2.gz HMJVDVUKRFXBRI-FQEVSTJZSA-N 0 3 384.476 3.560 20 10 GHCDHN O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001231565257 1034715791 /nfs/dbraw/zinc/71/57/91/1034715791.db2.gz CJAATMMTSGRDOS-UHFFFAOYSA-N 0 3 394.515 3.969 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001231843939 1034937518 /nfs/dbraw/zinc/93/75/18/1034937518.db2.gz DDJKOKUPEDIHLR-UNWVZKJWSA-N 0 3 382.504 3.600 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001231848951 1034940587 /nfs/dbraw/zinc/94/05/87/1034940587.db2.gz LWHKODSOZKKZMG-AEFFLSMTSA-N 0 3 391.556 3.744 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001231849746 1034941903 /nfs/dbraw/zinc/94/19/03/1034941903.db2.gz YAZJPGNWHDWIMV-QGZVFWFLSA-N 0 3 391.556 3.840 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001231853596 1034943850 /nfs/dbraw/zinc/94/38/50/1034943850.db2.gz ZUFYWVNFUIMTTA-NHCUHLMSSA-N 0 3 379.504 3.531 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001231858317 1034946895 /nfs/dbraw/zinc/94/68/95/1034946895.db2.gz SQVAUJRETLMUOK-HXUWFJFHSA-N 0 3 382.504 3.717 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)cc1Cl ZINC001231868508 1034955465 /nfs/dbraw/zinc/95/54/65/1034955465.db2.gz CUJRVTZKAVCQPK-HNAYVOBHSA-N 0 3 388.870 3.840 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)cc1Cl ZINC001231868508 1034955468 /nfs/dbraw/zinc/95/54/68/1034955468.db2.gz CUJRVTZKAVCQPK-HNAYVOBHSA-N 0 3 388.870 3.840 20 10 GHCDHN CCOC(=O)C1CCN(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)CC1 ZINC001231879638 1034963860 /nfs/dbraw/zinc/96/38/60/1034963860.db2.gz LPUDWWDXGWSDIY-UHFFFAOYSA-N 0 3 396.531 3.785 20 10 GHCDHN CC(=O)OC(C)(C)CCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209159442 1035196034 /nfs/dbraw/zinc/19/60/34/1035196034.db2.gz NQDVSGBTPTXBEX-UHFFFAOYSA-N 0 3 388.430 3.829 20 10 GHCDHN c1ccc2oc(-c3ccc(N4CCN(CCCC5OCCO5)CC4)cc3)nc2c1 ZINC001209311914 1035238304 /nfs/dbraw/zinc/23/83/04/1035238304.db2.gz JKVFVSYXVKEXMS-UHFFFAOYSA-N 0 3 393.487 3.770 20 10 GHCDHN COc1cc(I)cc(C[N@H+](C)CCc2ccccc2)c1[O-] ZINC001248387059 1035798448 /nfs/dbraw/zinc/79/84/48/1035798448.db2.gz UCSSNUYWGWIIHS-UHFFFAOYSA-N 0 3 397.256 3.680 20 10 GHCDHN COc1cc(I)cc(C[N@@H+](C)CCc2ccccc2)c1[O-] ZINC001248387059 1035798465 /nfs/dbraw/zinc/79/84/65/1035798465.db2.gz UCSSNUYWGWIIHS-UHFFFAOYSA-N 0 3 397.256 3.680 20 10 GHCDHN COc1cc(I)cc(CN2CCCCC[C@H]2C)c1O ZINC001248396386 1035807460 /nfs/dbraw/zinc/80/74/60/1035807460.db2.gz OPUUPHJIIOCFLD-LLVKDONJSA-N 0 3 375.250 3.770 20 10 GHCDHN COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001233287970 1039068554 /nfs/dbraw/zinc/06/85/54/1039068554.db2.gz PILUKQCSGBLAOF-CQDKDKBSSA-N 0 3 382.888 3.542 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)c1[O-] ZINC001233290260 1039074709 /nfs/dbraw/zinc/07/47/09/1039074709.db2.gz SRPRBACRQJIDPI-HNNXBMFYSA-N 0 3 384.904 3.933 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)c1[O-] ZINC001233290260 1039074723 /nfs/dbraw/zinc/07/47/23/1039074723.db2.gz SRPRBACRQJIDPI-HNNXBMFYSA-N 0 3 384.904 3.933 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)c1[O-] ZINC001233290705 1039076312 /nfs/dbraw/zinc/07/63/12/1039076312.db2.gz RIAFROSEAKTNLW-HNNXBMFYSA-N 0 3 381.900 4.000 20 10 GHCDHN COc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3O)CC2)cc1 ZINC001233417981 1039277627 /nfs/dbraw/zinc/27/76/27/1039277627.db2.gz OYEAEPKRDMLQBQ-UHFFFAOYSA-N 0 3 380.410 3.737 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1c1ccccc1 ZINC001233775738 1039605867 /nfs/dbraw/zinc/60/58/67/1039605867.db2.gz BLWFAMCKNYORJY-CVEARBPZSA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1c1ccccc1 ZINC001233775738 1039605870 /nfs/dbraw/zinc/60/58/70/1039605870.db2.gz BLWFAMCKNYORJY-CVEARBPZSA-N 0 3 395.377 3.679 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4C[C@@H](c5nc(C)no5)O[C@@H]4C3)c2c1 ZINC001234526322 1040101251 /nfs/dbraw/zinc/10/12/51/1040101251.db2.gz SYMVCYWKEQNDBD-ONGXBYRLSA-N 0 3 395.459 3.598 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4C[C@@H](c5nc(C)no5)O[C@@H]4C3)c2c1 ZINC001234526322 1040101263 /nfs/dbraw/zinc/10/12/63/1040101263.db2.gz SYMVCYWKEQNDBD-ONGXBYRLSA-N 0 3 395.459 3.598 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]4(CCCCN4C(C)=O)C3)c2c1 ZINC001234544946 1040115338 /nfs/dbraw/zinc/11/53/38/1040115338.db2.gz NURXNVYHOHBDCB-QHCPKHFHSA-N 0 3 382.504 3.921 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]4(CCCCN4C(C)=O)C3)c2c1 ZINC001234544946 1040115344 /nfs/dbraw/zinc/11/53/44/1040115344.db2.gz NURXNVYHOHBDCB-QHCPKHFHSA-N 0 3 382.504 3.921 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC(CCNC(=O)OC(C)(C)C)C3)c2c1 ZINC001234561875 1040129836 /nfs/dbraw/zinc/12/98/36/1040129836.db2.gz DXDIFQVIANUZHP-UHFFFAOYSA-N 0 3 386.492 3.901 20 10 GHCDHN O=c1cc2[nH]c(-c3ccccc3)cc(O)c-2c(OC2CCN(C3CC3)CC2)c1O ZINC001234678456 1040210794 /nfs/dbraw/zinc/21/07/94/1040210794.db2.gz AHECUTCTAJHDIY-UHFFFAOYSA-N 0 3 392.455 3.612 20 10 GHCDHN COCCN1CCC2(CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)C1=O ZINC001234986550 1040482749 /nfs/dbraw/zinc/48/27/49/1040482749.db2.gz AZWCYTJVRCQOSS-UHFFFAOYSA-N 0 3 394.515 3.520 20 10 GHCDHN CCOC[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cn(C)nc21 ZINC001234987638 1040483639 /nfs/dbraw/zinc/48/36/39/1040483639.db2.gz HYNOJDNUFFQLAU-HXUWFJFHSA-N 0 3 377.488 3.929 20 10 GHCDHN CCOC[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])Cc2cn(C)nc21 ZINC001234987638 1040483651 /nfs/dbraw/zinc/48/36/51/1040483651.db2.gz HYNOJDNUFFQLAU-HXUWFJFHSA-N 0 3 377.488 3.929 20 10 GHCDHN CC(C)(C)c1csc(CC2(O)CCN(Cc3cc(F)ccc3O)CC2)n1 ZINC001462513965 1070316448 /nfs/dbraw/zinc/31/64/48/1070316448.db2.gz TWEIXHMCEMAPCA-UHFFFAOYSA-N 0 3 378.513 3.855 20 10 GHCDHN CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC001462513965 1070316468 /nfs/dbraw/zinc/31/64/68/1070316468.db2.gz TWEIXHMCEMAPCA-UHFFFAOYSA-N 0 3 378.513 3.855 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)c([O-])c1 ZINC001235683242 1041151642 /nfs/dbraw/zinc/15/16/42/1041151642.db2.gz STGSFTRAXPTTKN-HSZRJFAPSA-N 0 3 379.504 3.714 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)c([O-])c1 ZINC001235683242 1041151655 /nfs/dbraw/zinc/15/16/55/1041151655.db2.gz STGSFTRAXPTTKN-HSZRJFAPSA-N 0 3 379.504 3.714 20 10 GHCDHN COc1ccc(C[N@H+](CCO)Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC001462535192 1070336975 /nfs/dbraw/zinc/33/69/75/1070336975.db2.gz WRLVKCIBGCGCMV-UHFFFAOYSA-N 0 3 393.483 3.974 20 10 GHCDHN COc1ccc(C[N@@H+](CCO)Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC001462535192 1070336988 /nfs/dbraw/zinc/33/69/88/1070336988.db2.gz WRLVKCIBGCGCMV-UHFFFAOYSA-N 0 3 393.483 3.974 20 10 GHCDHN COc1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c([O-])cc1Br ZINC001236753682 1041873215 /nfs/dbraw/zinc/87/32/15/1041873215.db2.gz QMSZBMMCEFQHKV-UHFFFAOYSA-N 0 3 396.281 3.813 20 10 GHCDHN COc1cc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c([O-])cc1Br ZINC001236753682 1041873219 /nfs/dbraw/zinc/87/32/19/1041873219.db2.gz QMSZBMMCEFQHKV-UHFFFAOYSA-N 0 3 396.281 3.813 20 10 GHCDHN COc1cc(CN(C)Cc2ccc(OC)c(OC)c2)c(O)cc1Br ZINC001236753682 1041873224 /nfs/dbraw/zinc/87/32/24/1041873224.db2.gz QMSZBMMCEFQHKV-UHFFFAOYSA-N 0 3 396.281 3.813 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)c([O-])c1 ZINC001236785062 1041890293 /nfs/dbraw/zinc/89/02/93/1041890293.db2.gz DWESJFWCPRISNX-QHCPKHFHSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)c([O-])c1 ZINC001236785062 1041890300 /nfs/dbraw/zinc/89/03/00/1041890300.db2.gz DWESJFWCPRISNX-QHCPKHFHSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001236788382 1041894560 /nfs/dbraw/zinc/89/45/60/1041894560.db2.gz SKPSWSGASPCFRP-QZNHQXDQSA-N 0 3 382.504 3.688 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001236788382 1041894568 /nfs/dbraw/zinc/89/45/68/1041894568.db2.gz SKPSWSGASPCFRP-QZNHQXDQSA-N 0 3 382.504 3.688 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789681 1041895606 /nfs/dbraw/zinc/89/56/06/1041895606.db2.gz QIDWMUOBPQQIJW-BJKOFHAPSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236789681 1041895610 /nfs/dbraw/zinc/89/56/10/1041895610.db2.gz QIDWMUOBPQQIJW-BJKOFHAPSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1ccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802931 1041905144 /nfs/dbraw/zinc/90/51/44/1041905144.db2.gz WRMLWVBGIIZFGI-GJZGRUSLSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1ccc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802931 1041905149 /nfs/dbraw/zinc/90/51/49/1041905149.db2.gz WRMLWVBGIIZFGI-GJZGRUSLSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807160 1041908046 /nfs/dbraw/zinc/90/80/46/1041908046.db2.gz CQFVXRHPVWCJGA-FYYLOGMGSA-N 0 3 398.503 3.554 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807160 1041908049 /nfs/dbraw/zinc/90/80/49/1041908049.db2.gz CQFVXRHPVWCJGA-FYYLOGMGSA-N 0 3 398.503 3.554 20 10 GHCDHN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2cc4ccccc4cc2[O-])CC3)cn1 ZINC001236829740 1041920647 /nfs/dbraw/zinc/92/06/47/1041920647.db2.gz KDEFVODTGLBGIT-FQEVSTJZSA-N 0 3 377.488 3.818 20 10 GHCDHN COC(=O)c1ccc(CN2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)cc1 ZINC001236830793 1041920849 /nfs/dbraw/zinc/92/08/49/1041920849.db2.gz COWSAKZFELUILY-UHFFFAOYSA-N 0 3 390.483 3.650 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001236841597 1041925025 /nfs/dbraw/zinc/92/50/25/1041925025.db2.gz LVGUJHBZAKTRTF-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001236841597 1041925026 /nfs/dbraw/zinc/92/50/26/1041925026.db2.gz LVGUJHBZAKTRTF-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc(O)c(CN3CCC(F)(F)CC3)cc2C1 ZINC001236842715 1041925394 /nfs/dbraw/zinc/92/53/94/1041925394.db2.gz HAGJXDBXVXZMIB-UHFFFAOYSA-N 0 3 398.450 3.753 20 10 GHCDHN C[N@H+](CCC1CC1)Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236852181 1041928299 /nfs/dbraw/zinc/92/82/99/1041928299.db2.gz MDCWMWDIDVDUIB-UHFFFAOYSA-N 0 3 376.497 3.754 20 10 GHCDHN C[N@@H+](CCC1CC1)Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236852181 1041928301 /nfs/dbraw/zinc/92/83/01/1041928301.db2.gz MDCWMWDIDVDUIB-UHFFFAOYSA-N 0 3 376.497 3.754 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)c([O-])c1 ZINC001237040628 1042000349 /nfs/dbraw/zinc/00/03/49/1042000349.db2.gz JIQIXYUFPFFVRX-UHFFFAOYSA-N 0 3 394.515 4.000 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c([O-])c1 ZINC001237043379 1042002783 /nfs/dbraw/zinc/00/27/83/1042002783.db2.gz RGAYHZCZGVMBHF-UHFFFAOYSA-N 0 3 393.462 3.988 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)c([O-])c1 ZINC001237043379 1042002788 /nfs/dbraw/zinc/00/27/88/1042002788.db2.gz RGAYHZCZGVMBHF-UHFFFAOYSA-N 0 3 393.462 3.988 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)c([O-])c1 ZINC001237042375 1042003370 /nfs/dbraw/zinc/00/33/70/1042003370.db2.gz UCVOHYCVZBTDFO-UHFFFAOYSA-N 0 3 382.460 3.782 20 10 GHCDHN CCOc1ccc(C[N@H+](CC)C[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC001237046929 1042006921 /nfs/dbraw/zinc/00/69/21/1042006921.db2.gz IFMZBBPNOYCZEI-QFIPXVFZSA-N 0 3 384.520 3.514 20 10 GHCDHN CCOc1ccc(C[N@@H+](CC)C[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC001237046929 1042006931 /nfs/dbraw/zinc/00/69/31/1042006931.db2.gz IFMZBBPNOYCZEI-QFIPXVFZSA-N 0 3 384.520 3.514 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237052410 1042010261 /nfs/dbraw/zinc/01/02/61/1042010261.db2.gz XSIWBBZBEFZGAQ-HNNXBMFYSA-N 0 3 381.398 3.978 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237052410 1042010269 /nfs/dbraw/zinc/01/02/69/1042010269.db2.gz XSIWBBZBEFZGAQ-HNNXBMFYSA-N 0 3 381.398 3.978 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237052411 1042010562 /nfs/dbraw/zinc/01/05/62/1042010562.db2.gz XSIWBBZBEFZGAQ-OAHLLOKOSA-N 0 3 381.398 3.978 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237052411 1042010569 /nfs/dbraw/zinc/01/05/69/1042010569.db2.gz XSIWBBZBEFZGAQ-OAHLLOKOSA-N 0 3 381.398 3.978 20 10 GHCDHN CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237053322 1042011750 /nfs/dbraw/zinc/01/17/50/1042011750.db2.gz JCCQLZYHBVKPBO-HXUWFJFHSA-N 0 3 388.552 3.613 20 10 GHCDHN Cc1cnc2n1CCC21CC[NH+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237113453 1042045623 /nfs/dbraw/zinc/04/56/23/1042045623.db2.gz YMXXIIQHCOLKHV-UHFFFAOYSA-N 0 3 381.398 3.733 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237137490 1042059274 /nfs/dbraw/zinc/05/92/74/1042059274.db2.gz PXUSSBSRIDHCCV-CZUORRHYSA-N 0 3 397.466 3.964 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237137490 1042059278 /nfs/dbraw/zinc/05/92/78/1042059278.db2.gz PXUSSBSRIDHCCV-CZUORRHYSA-N 0 3 397.466 3.964 20 10 GHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237142969 1042061949 /nfs/dbraw/zinc/06/19/49/1042061949.db2.gz JAXOMCGRZUSGIC-LJQANCHMSA-N 0 3 394.437 3.744 20 10 GHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237142969 1042061954 /nfs/dbraw/zinc/06/19/54/1042061954.db2.gz JAXOMCGRZUSGIC-LJQANCHMSA-N 0 3 394.437 3.744 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001237485779 1042229610 /nfs/dbraw/zinc/22/96/10/1042229610.db2.gz LYRMWNZKVHTALH-XMMPIXPASA-N 0 3 378.516 3.758 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001237485779 1042229613 /nfs/dbraw/zinc/22/96/13/1042229613.db2.gz LYRMWNZKVHTALH-XMMPIXPASA-N 0 3 378.516 3.758 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1c(C)cccc1[O-])CC2 ZINC001237487276 1042230892 /nfs/dbraw/zinc/23/08/92/1042230892.db2.gz XKSXRVHWYOSWRX-UHFFFAOYSA-N 0 3 392.455 3.743 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@@H+](Cc1c(C)cccc1[O-])CC2 ZINC001237487276 1042230901 /nfs/dbraw/zinc/23/09/01/1042230901.db2.gz XKSXRVHWYOSWRX-UHFFFAOYSA-N 0 3 392.455 3.743 20 10 GHCDHN CSc1nc(Cl)cc(N2CCC[N@H+](Cc3c(C)cccc3[O-])CC2)n1 ZINC001237492578 1042233913 /nfs/dbraw/zinc/23/39/13/1042233913.db2.gz SNXPQAGXWAJBRV-UHFFFAOYSA-N 0 3 378.929 3.578 20 10 GHCDHN CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3c(C)cccc3[O-])CC2)n1 ZINC001237492578 1042233914 /nfs/dbraw/zinc/23/39/14/1042233914.db2.gz SNXPQAGXWAJBRV-UHFFFAOYSA-N 0 3 378.929 3.578 20 10 GHCDHN Cc1cccc([O-])c1C[NH+](CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C ZINC001237495363 1042235522 /nfs/dbraw/zinc/23/55/22/1042235522.db2.gz QKUQPQRKKWDJJI-UHFFFAOYSA-N 0 3 393.524 3.966 20 10 GHCDHN COC[C@H]1Cn2nccc2C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643537 1042300431 /nfs/dbraw/zinc/30/04/31/1042300431.db2.gz OLBZMBVVTYJQQF-MRXNPFEDSA-N 0 3 381.451 3.673 20 10 GHCDHN COC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643537 1042300436 /nfs/dbraw/zinc/30/04/36/1042300436.db2.gz OLBZMBVVTYJQQF-MRXNPFEDSA-N 0 3 381.451 3.673 20 10 GHCDHN COC[C@H]1Cn2nccc2CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237643537 1042300440 /nfs/dbraw/zinc/30/04/40/1042300440.db2.gz OLBZMBVVTYJQQF-MRXNPFEDSA-N 0 3 381.451 3.673 20 10 GHCDHN Cc1cc([O-])c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1Br ZINC001237677330 1042318248 /nfs/dbraw/zinc/31/82/48/1042318248.db2.gz LSWGXYOWSSBYIA-UHFFFAOYSA-N 0 3 378.266 3.866 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1Br ZINC001237677330 1042318254 /nfs/dbraw/zinc/31/82/54/1042318254.db2.gz LSWGXYOWSSBYIA-UHFFFAOYSA-N 0 3 378.266 3.866 20 10 GHCDHN COc1ccc(N2CCN([C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)c(OC)c1 ZINC001256829965 1043682008 /nfs/dbraw/zinc/68/20/08/1043682008.db2.gz MQGQPYJNNIYXJT-DENIHFKCSA-N 0 3 382.504 3.746 20 10 GHCDHN COc1ccc(N2CCN([C@H]3CCO[C@@H](c4ccccc4)C3)CC2)c(OC)c1 ZINC001256829972 1043682299 /nfs/dbraw/zinc/68/22/99/1043682299.db2.gz MQGQPYJNNIYXJT-SIKLNZKXSA-N 0 3 382.504 3.746 20 10 GHCDHN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](c1cccs1)N(C)C ZINC001292841289 1043908682 /nfs/dbraw/zinc/90/86/82/1043908682.db2.gz PPMAXMUTIBIJFM-MRXNPFEDSA-N 0 3 385.537 3.547 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)N(C)C)cc1 ZINC001463280132 1070959875 /nfs/dbraw/zinc/95/98/75/1070959875.db2.gz JYIHZVYGWRXEGL-RRPUWOKSSA-N 0 3 383.511 3.541 20 10 GHCDHN CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001308652523 1050048564 /nfs/dbraw/zinc/04/85/64/1050048564.db2.gz SDHWSSVZAABMKC-GOSISDBHSA-N 0 3 392.540 3.924 20 10 GHCDHN CC(C)(C)OC(=O)NCC(C)(C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001308652523 1050048570 /nfs/dbraw/zinc/04/85/70/1050048570.db2.gz SDHWSSVZAABMKC-GOSISDBHSA-N 0 3 392.540 3.924 20 10 GHCDHN Cc1ccccc1[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001313417146 1053048288 /nfs/dbraw/zinc/04/82/88/1053048288.db2.gz RIJWAWWRJBQCTO-OFNKIYASSA-N 0 3 394.563 3.863 20 10 GHCDHN CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001324471701 1057142654 /nfs/dbraw/zinc/14/26/54/1057142654.db2.gz AMIQXGYMTJNBKS-JOCHJYFZSA-N 0 3 394.515 3.861 20 10 GHCDHN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])cc1 ZINC000848517852 1057144857 /nfs/dbraw/zinc/14/48/57/1057144857.db2.gz GXBXAMVCJOAYQI-ZBEGNZNMSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1[O-] ZINC000848526167 1057149693 /nfs/dbraw/zinc/14/96/93/1057149693.db2.gz YOQJDSIYSAKZRV-LLVKDONJSA-N 0 3 398.301 3.953 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2F)CC1 ZINC000848528396 1057150986 /nfs/dbraw/zinc/15/09/86/1057150986.db2.gz LKTHCKHOIPCDBK-HXUWFJFHSA-N 0 3 398.482 3.653 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)c1[O-] ZINC000848532265 1057153246 /nfs/dbraw/zinc/15/32/46/1057153246.db2.gz BPOASSLAYNHKIO-SUNKGSAMSA-N 0 3 384.270 3.919 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)c1O ZINC000848534089 1057155327 /nfs/dbraw/zinc/15/53/27/1057155327.db2.gz MQJBHJPMFLDXRZ-BMIGLBTASA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)c1[O-] ZINC000848537375 1057157909 /nfs/dbraw/zinc/15/79/09/1057157909.db2.gz GLMRMLVBUOANJR-GFCCVEGCSA-N 0 3 380.282 3.549 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1[O-] ZINC000848538015 1057159892 /nfs/dbraw/zinc/15/98/92/1057159892.db2.gz RVCDQLRADDZROZ-VBZUEUGKSA-N 0 3 382.298 3.772 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000848550061 1057171815 /nfs/dbraw/zinc/17/18/15/1057171815.db2.gz BIELWDWARBEDCN-JKDFXYPNSA-N 0 3 380.282 3.936 20 10 GHCDHN Cc1cnc(C2CCN(Cc3ccc(N4CCN(C)CC4)c(F)c3)CC2)s1 ZINC001324627764 1057183575 /nfs/dbraw/zinc/18/35/75/1057183575.db2.gz AJIGQEUZTVQPJS-UHFFFAOYSA-N 0 3 388.556 3.722 20 10 GHCDHN C[C@H]1CCc2sc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2C1 ZINC001439959081 1058365185 /nfs/dbraw/zinc/36/51/85/1058365185.db2.gz BWNGVAFNJVNVMS-KXBFYZLASA-N 0 3 385.577 3.972 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2SCCc3ccccc32)N(C)C)cc1 ZINC001439961800 1058370402 /nfs/dbraw/zinc/37/04/02/1058370402.db2.gz SPJXRMOXKZXHEV-SFTDATJTSA-N 0 3 383.561 3.502 20 10 GHCDHN CN(CCN(Cc1ccccc1)C(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC001465503940 1065672494 /nfs/dbraw/zinc/67/24/94/1065672494.db2.gz QQTINJYXMIKALS-UHFFFAOYSA-N 0 3 390.483 3.872 20 10 GHCDHN C[C@H]([NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC001460636379 1069046005 /nfs/dbraw/zinc/04/60/05/1069046005.db2.gz HHPMJADEGMWMFF-DLBZAZTESA-N 0 3 390.524 3.849 20 10 GHCDHN CCSCC[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471546023 1073125963 /nfs/dbraw/zinc/12/59/63/1073125963.db2.gz UPQQBAPJWOSSKY-LPHOPBHVSA-N 0 3 380.602 3.528 20 10 GHCDHN O=C([C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC001473971924 1074221767 /nfs/dbraw/zinc/22/17/67/1074221767.db2.gz NIPOXDXOFYNNHH-QHCPKHFHSA-N 0 3 377.532 3.610 20 10 GHCDHN COC[C@@H](Cc1ccccc1)N(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001474494620 1074432105 /nfs/dbraw/zinc/43/21/05/1074432105.db2.gz BVGOPFXMNQWFBX-GOSISDBHSA-N 0 3 398.478 3.794 20 10 GHCDHN COc1c([O-])c(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC001474609428 1074483418 /nfs/dbraw/zinc/48/34/18/1074483418.db2.gz GSDPRVTWEHIODX-BBWFWOEESA-N 0 3 399.491 3.792 20 10 GHCDHN COc1c([O-])c(C[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC001474609428 1074483420 /nfs/dbraw/zinc/48/34/20/1074483420.db2.gz GSDPRVTWEHIODX-BBWFWOEESA-N 0 3 399.491 3.792 20 10 GHCDHN Cc1ccnc(-c2noc(CC3CC[NH+](Cc4ccc(C)cc4[O-])CC3)n2)c1 ZINC001474687970 1074515953 /nfs/dbraw/zinc/51/59/53/1074515953.db2.gz QLRWTZOAMNGORD-UHFFFAOYSA-N 0 3 378.476 3.909 20 10 GHCDHN Cc1nc2ccc(NC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2o1 ZINC001475864134 1075036927 /nfs/dbraw/zinc/03/69/27/1075036927.db2.gz FFLSIHLKSWHILR-LJQANCHMSA-N 0 3 381.480 3.627 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1[O-] ZINC000359864272 209195684 /nfs/dbraw/zinc/19/56/84/209195684.db2.gz ATSMWZYILKNCQK-YVEFUNNKSA-N 0 3 395.956 3.819 20 10 GHCDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180767894 837542578 /nfs/dbraw/zinc/54/25/78/837542578.db2.gz OUGXFWYBHGFNEV-QAPCUYQASA-N 0 3 383.458 3.881 20 10 GHCDHN CC(C)CNC(=O)c1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000067226709 844217708 /nfs/dbraw/zinc/21/77/08/844217708.db2.gz YNAXZSRVBBTHDR-UHFFFAOYSA-N 0 3 395.547 3.541 20 10 GHCDHN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000181375358 838054178 /nfs/dbraw/zinc/05/41/78/838054178.db2.gz VDOGMJCPEYUWTA-PXNSSMCTSA-N 0 3 393.597 3.859 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000471530818 838753415 /nfs/dbraw/zinc/75/34/15/838753415.db2.gz SGTMSVUYPYRDCF-IBGZPJMESA-N 0 3 376.504 3.560 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823958 839161728 /nfs/dbraw/zinc/16/17/28/839161728.db2.gz WDYFHHCXDPDJLS-AZUAARDMSA-N 0 3 380.488 3.533 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823958 839161738 /nfs/dbraw/zinc/16/17/38/839161738.db2.gz WDYFHHCXDPDJLS-AZUAARDMSA-N 0 3 380.488 3.533 20 10 GHCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000279923691 843902285 /nfs/dbraw/zinc/90/22/85/843902285.db2.gz AHSZNUINAKEHNG-ZDUSSCGKSA-N 0 3 379.547 3.977 20 10 GHCDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157573408 846004952 /nfs/dbraw/zinc/00/49/52/846004952.db2.gz QVICBHJWRFEKEZ-KRWDZBQOSA-N 0 3 380.467 3.699 20 10 GHCDHN C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000272130095 846998841 /nfs/dbraw/zinc/99/88/41/846998841.db2.gz RORGICHMPXXQLR-HNAYVOBHSA-N 0 3 396.457 3.511 20 10 GHCDHN CCOc1ccc(CNCC(=O)Nc2ccc(Br)cc2C)c(O)c1 ZINC000732228228 862160392 /nfs/dbraw/zinc/16/03/92/862160392.db2.gz MGJFHBUHEULNKN-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)c([O-])c1 ZINC000732228228 862160400 /nfs/dbraw/zinc/16/04/00/862160400.db2.gz MGJFHBUHEULNKN-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1cc(F)ccc1[O-] ZINC000760042136 855824739 /nfs/dbraw/zinc/82/47/39/855824739.db2.gz SZPUMYMFTPCXJG-JSGCOSHPSA-N 0 3 382.273 3.796 20 10 GHCDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@]12CCCO2 ZINC000760881979 856212969 /nfs/dbraw/zinc/21/29/69/856212969.db2.gz UUJUJXFEUXAEGQ-JWOSDPRPSA-N 0 3 394.943 3.554 20 10 GHCDHN COc1cccc(O)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000733334808 862876641 /nfs/dbraw/zinc/87/66/41/862876641.db2.gz RMTRQKAXXOOGAO-INIZCTEOSA-N 0 3 376.884 3.514 20 10 GHCDHN CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613963 863065108 /nfs/dbraw/zinc/06/51/08/863065108.db2.gz SIKAOSPIKTUJLN-NRFANRHFSA-N 0 3 383.488 3.779 20 10 GHCDHN CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613963 863065124 /nfs/dbraw/zinc/06/51/24/863065124.db2.gz SIKAOSPIKTUJLN-NRFANRHFSA-N 0 3 383.488 3.779 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)c(F)c1 ZINC000765036632 859743241 /nfs/dbraw/zinc/74/32/41/859743241.db2.gz MOBIDFNUYHKSGV-HOTGVXAUSA-N 0 3 397.494 3.959 20 10 GHCDHN CC1(C)Cc2occc2[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000765252272 859867959 /nfs/dbraw/zinc/86/79/59/859867959.db2.gz IRXBBOVVEGBHEW-PXNSSMCTSA-N 0 3 381.520 3.785 20 10 GHCDHN C[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765426698 859965862 /nfs/dbraw/zinc/96/58/62/859965862.db2.gz SSYZCHZNWXTREX-OLZOCXBDSA-N 0 3 380.838 3.795 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000921544654 860276763 /nfs/dbraw/zinc/27/67/63/860276763.db2.gz CJHFIMXZKNNPCV-INIZCTEOSA-N 0 3 380.488 3.520 20 10 GHCDHN CN(C)CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1cccnc1 ZINC000922631829 860361986 /nfs/dbraw/zinc/36/19/86/860361986.db2.gz XFXQGDRKTHEJFP-MRXNPFEDSA-N 0 3 398.732 3.986 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000103593980 881588955 /nfs/dbraw/zinc/58/89/55/881588955.db2.gz ZZQAOLIPZKPZDI-OXJNMPFZSA-N 0 3 383.492 3.598 20 10 GHCDHN CN(C)c1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000733800451 863191792 /nfs/dbraw/zinc/19/17/92/863191792.db2.gz SHLTZGLVYMZSAX-SFHVURJKSA-N 0 3 377.410 3.667 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000733800027 863192862 /nfs/dbraw/zinc/19/28/62/863192862.db2.gz BQIJWSUIOFYPFM-KRWDZBQOSA-N 0 3 394.393 3.705 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCCCn2cc(Br)cn2)c1[O-] ZINC000793207569 882034074 /nfs/dbraw/zinc/03/40/74/882034074.db2.gz PKDFFQSYIBOHEN-UHFFFAOYSA-N 0 3 388.693 3.583 20 10 GHCDHN Cc1cccc(CC2(O)CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c1 ZINC000793324828 882103824 /nfs/dbraw/zinc/10/38/24/882103824.db2.gz VZYQQLXWSWSKGT-UHFFFAOYSA-N 0 3 398.522 3.540 20 10 GHCDHN CC(C)(C)c1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000793583753 882287749 /nfs/dbraw/zinc/28/77/49/882287749.db2.gz HSPMGOZVCJQUCP-GOSISDBHSA-N 0 3 388.943 3.887 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC000182338484 872229336 /nfs/dbraw/zinc/22/93/36/872229336.db2.gz XAQHGNCWDOOWIX-MRXNPFEDSA-N 0 3 380.444 3.878 20 10 GHCDHN CCN(c1ccc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)cc1)C(C)C ZINC000182382235 872276908 /nfs/dbraw/zinc/27/69/08/872276908.db2.gz RXPBVTVTKDABDI-MRXNPFEDSA-N 0 3 385.508 3.925 20 10 GHCDHN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182422584 872337469 /nfs/dbraw/zinc/33/74/69/872337469.db2.gz VTCWIHFAROTDOC-IIBYNOLFSA-N 0 3 398.503 3.814 20 10 GHCDHN COCCN(Cc1cccs1)Cc1cc(Br)cc(OC)c1O ZINC000768197046 873164074 /nfs/dbraw/zinc/16/40/74/873164074.db2.gz IEDRBUOKTSPAJV-UHFFFAOYSA-N 0 3 386.311 3.873 20 10 GHCDHN CC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001196580331 873239342 /nfs/dbraw/zinc/23/93/42/873239342.db2.gz OOUIGCNWIVKDNJ-UHFFFAOYSA-N 0 3 383.517 3.546 20 10 GHCDHN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1OC(F)F ZINC000768440113 873303279 /nfs/dbraw/zinc/30/32/79/873303279.db2.gz DDWCZVXPJUJDMD-UHFFFAOYSA-N 0 3 383.391 3.651 20 10 GHCDHN O=C(c1ccccc1F)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768440907 873304570 /nfs/dbraw/zinc/30/45/70/873304570.db2.gz HNXPOVQOGAMPJX-UHFFFAOYSA-N 0 3 382.479 3.758 20 10 GHCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccc(Br)cc3)CCC1)[C@H](O)CO2 ZINC000768440665 873304990 /nfs/dbraw/zinc/30/49/90/873304990.db2.gz UGNGLKUEWHGGGI-QGZVFWFLSA-N 0 3 390.277 3.750 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1[O-] ZINC000769025613 873748140 /nfs/dbraw/zinc/74/81/40/873748140.db2.gz XOVZYSNSHFLEGE-GOSISDBHSA-N 0 3 392.293 3.909 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1[O-] ZINC000769025613 873748150 /nfs/dbraw/zinc/74/81/50/873748150.db2.gz XOVZYSNSHFLEGE-GOSISDBHSA-N 0 3 392.293 3.909 20 10 GHCDHN COc1cc(C)c([C@H](C)NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833651 874320384 /nfs/dbraw/zinc/32/03/84/874320384.db2.gz FXIKFESXYHPLGM-SJORKVTESA-N 0 3 399.535 3.606 20 10 GHCDHN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000775837824 874334437 /nfs/dbraw/zinc/33/44/37/874334437.db2.gz UNUAGZGXYIQCKK-MWTRTKDXSA-N 0 3 381.520 3.679 20 10 GHCDHN COc1ccc([C@H](NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000775837829 874334526 /nfs/dbraw/zinc/33/45/26/874334526.db2.gz UNUAGZGXYIQCKK-WAIKUNEKSA-N 0 3 381.520 3.679 20 10 GHCDHN Cc1cc([O-])c(C[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC001199190024 874845187 /nfs/dbraw/zinc/84/51/87/874845187.db2.gz RAZCFLCGTGYZAK-OAQYLSRUSA-N 0 3 387.955 3.822 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(C(=O)c4ccccc4)CC3)c2c1 ZINC000029889573 875627116 /nfs/dbraw/zinc/62/71/16/875627116.db2.gz ICKCREVVNIBKBM-UHFFFAOYSA-N 0 3 390.483 3.902 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(C(=O)c4ccccc4)CC3)c2c1 ZINC000029889573 875627119 /nfs/dbraw/zinc/62/71/19/875627119.db2.gz ICKCREVVNIBKBM-UHFFFAOYSA-N 0 3 390.483 3.902 20 10 GHCDHN CCCN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccccc1O ZINC000108363391 876458043 /nfs/dbraw/zinc/45/80/43/876458043.db2.gz ORTPBPXHCBOGIH-OAQYLSRUSA-N 0 3 395.528 3.967 20 10 GHCDHN COCc1csc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000850034869 876619028 /nfs/dbraw/zinc/61/90/28/876619028.db2.gz SLXLMELZPOLLTC-GJZGRUSLSA-N 0 3 378.513 3.937 20 10 GHCDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000850503813 876977711 /nfs/dbraw/zinc/97/77/11/876977711.db2.gz YZHQIYYMYXHBJX-LBEHMCEESA-N 0 3 386.330 3.680 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1[O-] ZINC000850526326 876998143 /nfs/dbraw/zinc/99/81/43/876998143.db2.gz PMSSMCAJPYJVMO-CIISACIHSA-N 0 3 378.266 3.992 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000850532031 877003108 /nfs/dbraw/zinc/00/31/08/877003108.db2.gz ISHGCKQIOMEBBN-PKPZWWHKSA-N 0 3 392.240 3.628 20 10 GHCDHN CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC000787436706 877401509 /nfs/dbraw/zinc/40/15/09/877401509.db2.gz GGFAJGXLKCSQRJ-FQEVSTJZSA-N 0 3 377.868 3.665 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1)C1CCCC1)cc2=O ZINC000109800971 877460954 /nfs/dbraw/zinc/46/09/54/877460954.db2.gz MIVIHFAVZPFQIO-HXUWFJFHSA-N 0 3 394.475 3.633 20 10 GHCDHN O=C1CCC2=C(CC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)N1 ZINC000853521219 879081218 /nfs/dbraw/zinc/08/12/18/879081218.db2.gz SSGPFMGEYYMDPP-UHFFFAOYSA-N 0 3 387.277 3.678 20 10 GHCDHN O=C1CCC2=C(CC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)N1 ZINC000853521219 879081232 /nfs/dbraw/zinc/08/12/32/879081232.db2.gz SSGPFMGEYYMDPP-UHFFFAOYSA-N 0 3 387.277 3.678 20 10 GHCDHN COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000853529834 879090585 /nfs/dbraw/zinc/09/05/85/879090585.db2.gz MZJPTZUWMASAMA-KGLIPLIRSA-N 0 3 397.393 3.727 20 10 GHCDHN COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000853529834 879090603 /nfs/dbraw/zinc/09/06/03/879090603.db2.gz MZJPTZUWMASAMA-KGLIPLIRSA-N 0 3 397.393 3.727 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000776700197 879380803 /nfs/dbraw/zinc/38/08/03/879380803.db2.gz JMBNBUQVNQKFRQ-ZDUSSCGKSA-N 0 3 382.382 3.668 20 10 GHCDHN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000792185621 880972483 /nfs/dbraw/zinc/97/24/83/880972483.db2.gz AUGJGLDOSJWEHO-HSZRJFAPSA-N 0 3 396.510 3.844 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1[O-] ZINC000858484131 883135370 /nfs/dbraw/zinc/13/53/70/883135370.db2.gz JSKRQKFLXLMOSQ-ZDUSSCGKSA-N 0 3 377.859 3.962 20 10 GHCDHN COc1ccc(C2=NO[C@H](CNC/C=C\c3ccc(N(C)C)cc3)C2)cc1F ZINC001183618412 912703089 /nfs/dbraw/zinc/70/30/89/912703089.db2.gz HQDAUDBFYHNZLU-HMECNJMJSA-N 0 3 383.467 3.696 20 10 GHCDHN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000806431848 884668560 /nfs/dbraw/zinc/66/85/60/884668560.db2.gz BKUXMBNMFQSLHF-AVRDEDQJSA-N 0 3 380.536 3.777 20 10 GHCDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000806634122 884888049 /nfs/dbraw/zinc/88/80/49/884888049.db2.gz DCJUPFAVBDLSAG-APWZRJJASA-N 0 3 384.524 3.591 20 10 GHCDHN CSCC[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N(C)C ZINC000806661667 884920086 /nfs/dbraw/zinc/92/00/86/884920086.db2.gz BOLNNGYDJWECIF-YJBOKZPZSA-N 0 3 381.561 3.677 20 10 GHCDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000153561757 886333564 /nfs/dbraw/zinc/33/35/64/886333564.db2.gz YLUPBAOHYCEDQB-KRWDZBQOSA-N 0 3 389.565 3.632 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808680590 886636931 /nfs/dbraw/zinc/63/69/31/886636931.db2.gz MQPDLTAFPPHEGW-QWHCGFSZSA-N 0 3 382.913 3.674 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1[O-] ZINC000808716771 886700151 /nfs/dbraw/zinc/70/01/51/886700151.db2.gz VKZPETLNTLAPMU-UGSOOPFHSA-N 0 3 376.859 3.945 20 10 GHCDHN COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808716709 886700704 /nfs/dbraw/zinc/70/07/04/886700704.db2.gz TZGKSIIXTWZXOZ-CQSZACIVSA-N 0 3 397.924 3.625 20 10 GHCDHN COc1cccc(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c1O ZINC000809739741 887774770 /nfs/dbraw/zinc/77/47/70/887774770.db2.gz CIGAQXJFHBJTJG-UHFFFAOYSA-N 0 3 391.393 3.954 20 10 GHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@]2(CCOC2)O1 ZINC000794707734 887926771 /nfs/dbraw/zinc/92/67/71/887926771.db2.gz WTAHUGNGZYAQBI-ORAYPTAESA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@]2(CCOC2)O1 ZINC000794707734 887926782 /nfs/dbraw/zinc/92/67/82/887926782.db2.gz WTAHUGNGZYAQBI-ORAYPTAESA-N 0 3 392.293 3.688 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1[O-] ZINC000794796581 888059068 /nfs/dbraw/zinc/05/90/68/888059068.db2.gz LJHMVFIOKVAFNI-NQIIRXRSSA-N 0 3 381.520 3.643 20 10 GHCDHN COc1ccc(N2CCC(NCc3cccnc3Br)CC2)cc1 ZINC000865444678 888356416 /nfs/dbraw/zinc/35/64/16/888356416.db2.gz WOZOMGVVOPFLQO-UHFFFAOYSA-N 0 3 376.298 3.611 20 10 GHCDHN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000120627602 888440346 /nfs/dbraw/zinc/44/03/46/888440346.db2.gz ZZLRFSZEBMFONN-QFIPXVFZSA-N 0 3 382.504 3.878 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3ccccc3O)c(C)c2)CC1 ZINC000866161687 888758762 /nfs/dbraw/zinc/75/87/62/888758762.db2.gz UAUHIOZOSJOETE-QGZVFWFLSA-N 0 3 382.508 3.725 20 10 GHCDHN C[C@@H](NCc1ccnc(-n2cncn2)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866432858 888873457 /nfs/dbraw/zinc/87/34/57/888873457.db2.gz SPYRFGIIACMRDC-MRXNPFEDSA-N 0 3 380.471 3.643 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435748 888875766 /nfs/dbraw/zinc/87/57/66/888875766.db2.gz FKYDIYDINCJVNM-JOYOIKCWSA-N 0 3 393.207 3.509 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435749 888876398 /nfs/dbraw/zinc/87/63/98/888876398.db2.gz FKYDIYDINCJVNM-SKDRFNHKSA-N 0 3 393.207 3.509 20 10 GHCDHN CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H]4CN(C)C[C@@H]43)c2C)c1 ZINC000794947680 889019526 /nfs/dbraw/zinc/01/95/26/889019526.db2.gz BSBXIZSXIIEBQQ-UWJYYQICSA-N 0 3 383.561 3.635 20 10 GHCDHN CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H]4CN(C)C[C@H]43)c2C)c1 ZINC000794947678 889019733 /nfs/dbraw/zinc/01/97/33/889019733.db2.gz BSBXIZSXIIEBQQ-LAUBAEHRSA-N 0 3 383.561 3.635 20 10 GHCDHN CN(C)CCN(CCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000916587720 889147855 /nfs/dbraw/zinc/14/78/55/889147855.db2.gz ZSFUKMZDEHBIJP-UHFFFAOYSA-N 0 3 394.563 3.603 20 10 GHCDHN [O-]c1c(CNc2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)cc(Cl)c2cccnc12 ZINC001168521439 890233549 /nfs/dbraw/zinc/23/35/49/890233549.db2.gz BVRPAXXYOITHIA-MRXNPFEDSA-N 0 3 394.866 3.673 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(F)c(F)c3F)c2)CC1 ZINC000123222273 890439324 /nfs/dbraw/zinc/43/93/24/890439324.db2.gz IGEGIKQIZJUNMS-UHFFFAOYSA-N 0 3 377.410 3.887 20 10 GHCDHN CCOc1ccc(CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC000812762793 890913549 /nfs/dbraw/zinc/91/35/49/890913549.db2.gz LIXSKHQKYXOQCS-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN O=[N+]([O-])c1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccc1N1CCCCC1 ZINC000812780924 890961590 /nfs/dbraw/zinc/96/15/90/890961590.db2.gz BLYLONFWYXDXBS-QHCPKHFHSA-N 0 3 395.503 3.721 20 10 GHCDHN CCOc1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c(O)c1 ZINC000813792466 891981174 /nfs/dbraw/zinc/98/11/74/891981174.db2.gz QRHRUAAQQASFCZ-INIZCTEOSA-N 0 3 384.245 3.516 20 10 GHCDHN Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681920 893216983 /nfs/dbraw/zinc/21/69/83/893216983.db2.gz NBEBWHRWBLFWIX-KRWDZBQOSA-N 0 3 398.532 3.810 20 10 GHCDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876796232 893331215 /nfs/dbraw/zinc/33/12/15/893331215.db2.gz YRCVBGLWSYSOGP-XGCWNURASA-N 0 3 386.561 3.578 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000815156218 893494297 /nfs/dbraw/zinc/49/42/97/893494297.db2.gz XTKGAVQZYZHCFN-FOIQADDNSA-N 0 3 386.467 3.772 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc3c(F)ccc(F)c3c2)N(C)C)cc1 ZINC001134882985 893506618 /nfs/dbraw/zinc/50/66/18/893506618.db2.gz WLEBDXLOFKMMSH-HXUWFJFHSA-N 0 3 398.457 3.612 20 10 GHCDHN OC1CCN(c2ccc(CN3CCC(Oc4cccc(F)c4)CC3)cc2)CC1 ZINC000877650223 893743037 /nfs/dbraw/zinc/74/30/37/893743037.db2.gz POVOJQJDNGJGQY-UHFFFAOYSA-N 0 3 384.495 3.830 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000815559906 893998826 /nfs/dbraw/zinc/99/88/26/893998826.db2.gz SWYJYJFRSBAQGN-NRFANRHFSA-N 0 3 385.471 3.832 20 10 GHCDHN CN1CCN(C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])c2ccccc2)CC1 ZINC000816528260 894926859 /nfs/dbraw/zinc/92/68/59/894926859.db2.gz TUVUWGGUZMIALG-HSZRJFAPSA-N 0 3 375.516 3.624 20 10 GHCDHN CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c(C(F)(F)F)c1 ZINC000879651208 895202532 /nfs/dbraw/zinc/20/25/32/895202532.db2.gz MSYJLWLXBCZGJP-NSHDSACASA-N 0 3 395.381 3.659 20 10 GHCDHN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649995 895203124 /nfs/dbraw/zinc/20/31/24/895203124.db2.gz WUNJUMWTSZZFIZ-CVEARBPZSA-N 0 3 383.492 3.552 20 10 GHCDHN CCN(CC)C(=O)[C@@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000818115950 896032491 /nfs/dbraw/zinc/03/24/91/896032491.db2.gz DSUMKQRXBYPPQB-CVDCTZTESA-N 0 3 395.547 3.721 20 10 GHCDHN CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)C[C@H]2C1 ZINC000818332360 896116607 /nfs/dbraw/zinc/11/66/07/896116607.db2.gz MCGIIUCSMPKABK-OBNKQFAMSA-N 0 3 378.944 3.803 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc4c(c3)OCCO4)cc2F)CC1 ZINC000155288477 898563831 /nfs/dbraw/zinc/56/38/31/898563831.db2.gz CHNPHJHYJIPPAK-QGZVFWFLSA-N 0 3 399.510 3.590 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccccc3OCC(F)F)cc2)CC1 ZINC000886164145 900853086 /nfs/dbraw/zinc/85/30/86/900853086.db2.gz CSOIPBHLNRRYAS-UHFFFAOYSA-N 0 3 376.447 3.581 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3ccccc3C(F)(F)F)cc2)CC1 ZINC000886325982 900936099 /nfs/dbraw/zinc/93/60/99/900936099.db2.gz YITRCQKRMCROBZ-UHFFFAOYSA-N 0 3 391.437 3.697 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(C)ccc1OC ZINC000886749602 901253593 /nfs/dbraw/zinc/25/35/93/901253593.db2.gz XOVYQCHFVKOOSS-JOCHJYFZSA-N 0 3 395.547 3.946 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000263679073 902387027 /nfs/dbraw/zinc/38/70/27/902387027.db2.gz LUHCZCYIJISLIH-UHFFFAOYSA-N 0 3 375.472 3.581 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999389 902580919 /nfs/dbraw/zinc/58/09/19/902580919.db2.gz IMSJHONCDXKBKQ-NSHGMRRFSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999389 902580934 /nfs/dbraw/zinc/58/09/34/902580934.db2.gz IMSJHONCDXKBKQ-NSHGMRRFSA-N 0 3 390.524 3.677 20 10 GHCDHN COc1c([O-])c(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775034966 914655723 /nfs/dbraw/zinc/65/57/23/914655723.db2.gz VLOHPJVICFSUIX-IGOJGBNBSA-N 0 3 399.491 3.555 20 10 GHCDHN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779088438 904079573 /nfs/dbraw/zinc/07/95/73/904079573.db2.gz QYWRGWOUIZHMFT-NRFANRHFSA-N 0 3 378.447 3.549 20 10 GHCDHN C[C@H](NCCOc1ncccc1Cl)c1ccc(N2CCOCC2)cc1Cl ZINC000773059042 904406496 /nfs/dbraw/zinc/40/64/96/904406496.db2.gz KPLUVXCRVUSGBO-AWEZNQCLSA-N 0 3 396.318 3.955 20 10 GHCDHN COc1cc(O)c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1OC ZINC000160041792 904592328 /nfs/dbraw/zinc/59/23/28/904592328.db2.gz KMKQUCZYHXMQCK-GOSISDBHSA-N 0 3 375.440 3.730 20 10 GHCDHN [O-]c1c(O)cccc1C[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171992680 905204842 /nfs/dbraw/zinc/20/48/42/905204842.db2.gz NTFJOWPIKWSYEE-UHFFFAOYSA-N 0 3 377.282 3.619 20 10 GHCDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000181989469 907111337 /nfs/dbraw/zinc/11/13/37/907111337.db2.gz LSPWSIJQIPHRAX-OAHLLOKOSA-N 0 3 385.483 3.596 20 10 GHCDHN CN(C)c1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2n1 ZINC001177929553 908820576 /nfs/dbraw/zinc/82/05/76/908820576.db2.gz YBSJHYFPBOXJFZ-UHFFFAOYSA-N 0 3 394.494 3.566 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000268890937 910059036 /nfs/dbraw/zinc/05/90/36/910059036.db2.gz XYVKCLITHKWRHX-LJQANCHMSA-N 0 3 394.563 3.662 20 10 GHCDHN CCOC(=O)c1oc2c(c1C)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000774133429 911436078 /nfs/dbraw/zinc/43/60/78/911436078.db2.gz FYHGNSUAEOHISQ-IBGZPJMESA-N 0 3 398.503 3.769 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)CCCC(=O)c2cccnc2)c1[O-] ZINC001204339304 911594102 /nfs/dbraw/zinc/59/41/02/911594102.db2.gz FHPOXWXNOIKDNL-UHFFFAOYSA-N 0 3 393.281 3.653 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)CCCC(=O)c2cccnc2)c1[O-] ZINC001204339304 911594115 /nfs/dbraw/zinc/59/41/15/911594115.db2.gz FHPOXWXNOIKDNL-UHFFFAOYSA-N 0 3 393.281 3.653 20 10 GHCDHN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774481919 911787509 /nfs/dbraw/zinc/78/75/09/911787509.db2.gz JDBGYIZSISOXEI-IRXDYDNUSA-N 0 3 382.508 3.757 20 10 GHCDHN CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254094 916652977 /nfs/dbraw/zinc/65/29/77/916652977.db2.gz GKEKCHZVYCIUKX-UXHICEINSA-N 0 3 395.547 3.611 20 10 GHCDHN C[C@H](NCc1cncc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000775257670 916681471 /nfs/dbraw/zinc/68/14/71/916681471.db2.gz KSXDOPMAYBYJTF-AWEZNQCLSA-N 0 3 376.298 3.532 20 10 GHCDHN CC(C)CCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257368 916685863 /nfs/dbraw/zinc/68/58/63/916685863.db2.gz IPDXAJPVVWQYGE-MOPGFXCFSA-N 0 3 375.557 3.505 20 10 GHCDHN CC(C)OC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775258457 916691019 /nfs/dbraw/zinc/69/10/19/916691019.db2.gz BEAKWQVWKKKKPS-GOSISDBHSA-N 0 3 382.504 3.939 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000775376372 917273568 /nfs/dbraw/zinc/27/35/68/917273568.db2.gz VLUABFINIGFCFI-ZDUSSCGKSA-N 0 3 383.473 3.814 20 10 GHCDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000775403223 917510878 /nfs/dbraw/zinc/51/08/78/917510878.db2.gz HNLOFZPOZHVRAM-IBGZPJMESA-N 0 3 394.563 3.774 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(C(C)=O)C4(CCCCC4)C3)cc2)CC1 ZINC000296298929 918103018 /nfs/dbraw/zinc/10/30/18/918103018.db2.gz MPARFPPLJNGKNW-UHFFFAOYSA-N 0 3 399.579 3.669 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@]1(COC)CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380651494 919309149 /nfs/dbraw/zinc/30/91/49/919309149.db2.gz ZRHDGUZTIWAQEW-DYESRHJHSA-N 0 3 378.513 3.849 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000381987870 919718521 /nfs/dbraw/zinc/71/85/21/919718521.db2.gz OBQQZVANYQBISF-SWLSCSKDSA-N 0 3 384.904 3.932 20 10 GHCDHN COCCO[C@@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000800850318 920528054 /nfs/dbraw/zinc/52/80/54/920528054.db2.gz LRHRQHSUDAGXNM-MRXNPFEDSA-N 0 3 394.309 3.935 20 10 GHCDHN COCCO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000800850318 920528067 /nfs/dbraw/zinc/52/80/67/920528067.db2.gz LRHRQHSUDAGXNM-MRXNPFEDSA-N 0 3 394.309 3.935 20 10 GHCDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCCC2)cc1 ZINC000368562542 922747200 /nfs/dbraw/zinc/74/72/00/922747200.db2.gz GOBBHURCMSTLOE-PGRDOPGGSA-N 0 3 382.552 3.984 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C2CC2)cc1 ZINC000749163579 924057786 /nfs/dbraw/zinc/05/77/86/924057786.db2.gz JMOBWOUIRFQKBW-NRFANRHFSA-N 0 3 392.547 3.551 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1[O-] ZINC000827943468 926370087 /nfs/dbraw/zinc/37/00/87/926370087.db2.gz XJHLDVYLLUYYIP-SFHVURJKSA-N 0 3 391.309 3.852 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000389780622 926387882 /nfs/dbraw/zinc/38/78/82/926387882.db2.gz DVNOGUDBOUWMOC-INIZCTEOSA-N 0 3 396.915 3.933 20 10 GHCDHN CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H](CC)CN1C(C)=O ZINC000827957875 926410083 /nfs/dbraw/zinc/41/00/83/926410083.db2.gz OWYMHGNEPZLXON-LEWJYISDSA-N 0 3 387.568 3.523 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000757768998 929794017 /nfs/dbraw/zinc/79/40/17/929794017.db2.gz VGTZTOJKQCSGDO-NQIIRXRSSA-N 0 3 381.520 3.977 20 10 GHCDHN C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)CN1Cc1ccccc1 ZINC000759586533 930414837 /nfs/dbraw/zinc/41/48/37/930414837.db2.gz PZVYISJQFKPBHW-RDJZCZTQSA-N 0 3 390.578 3.588 20 10 GHCDHN C[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000781377003 930822163 /nfs/dbraw/zinc/82/21/63/930822163.db2.gz WZTSJWZHZFCPRZ-GOSISDBHSA-N 0 3 384.568 3.905 20 10 GHCDHN C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000797113461 932187807 /nfs/dbraw/zinc/18/78/07/932187807.db2.gz NCDPPAAGRKTDPD-LPHOPBHVSA-N 0 3 385.474 3.591 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000798935637 932823415 /nfs/dbraw/zinc/82/34/15/932823415.db2.gz QEKFIEIOAJCEGH-SBUREZEXSA-N 0 3 382.504 3.742 20 10 GHCDHN COC(=O)c1cc2ccccc2c(CN2CCCC[C@H]2c2ccnn2C)c1O ZINC000799148206 932888759 /nfs/dbraw/zinc/88/87/59/932888759.db2.gz AWYQIHGCEAQIFR-FQEVSTJZSA-N 0 3 379.460 3.793 20 10 GHCDHN CSc1ccccc1[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001119439836 934349289 /nfs/dbraw/zinc/34/92/89/934349289.db2.gz XHXPPDWBYQETTH-INIZCTEOSA-N 0 3 383.561 3.961 20 10 GHCDHN CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191310 1032332072 /nfs/dbraw/zinc/33/20/72/1032332072.db2.gz JOTIUNOVKZPFRA-KUHUBIRLSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191310 1032332080 /nfs/dbraw/zinc/33/20/80/1032332080.db2.gz JOTIUNOVKZPFRA-KUHUBIRLSA-N 0 3 395.341 3.686 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1F ZINC001221878790 1032560655 /nfs/dbraw/zinc/56/06/55/1032560655.db2.gz HOVPRUCWUJOAFF-UHFFFAOYSA-N 0 3 390.547 3.832 20 10 GHCDHN CCOC[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2cn(C)nc21 ZINC001204235313 1032681480 /nfs/dbraw/zinc/68/14/80/1032681480.db2.gz LPGZURUCJXPMKB-LJQANCHMSA-N 0 3 378.520 3.775 20 10 GHCDHN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000779012484 1020208659 /nfs/dbraw/zinc/20/86/59/1020208659.db2.gz OBWVYRDROMHZJO-CQSZACIVSA-N 0 3 391.309 3.852 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1ccccc1[O-] ZINC000834900705 1021646055 /nfs/dbraw/zinc/64/60/55/1021646055.db2.gz SLHUJONYMOCWDP-OLZOCXBDSA-N 0 3 382.273 3.796 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950338 1022972458 /nfs/dbraw/zinc/97/24/58/1022972458.db2.gz QUHMXHRVGXQPPN-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950338 1022972461 /nfs/dbraw/zinc/97/24/61/1022972461.db2.gz QUHMXHRVGXQPPN-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c(OC)c1 ZINC001141034912 1023326649 /nfs/dbraw/zinc/32/66/49/1023326649.db2.gz VNBKATSWPRSGPH-JPYJTQIMSA-N 0 3 398.503 3.623 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c(OC)c1 ZINC001141034912 1023326654 /nfs/dbraw/zinc/32/66/54/1023326654.db2.gz VNBKATSWPRSGPH-JPYJTQIMSA-N 0 3 398.503 3.623 20 10 GHCDHN Cc1ccnc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)n1 ZINC001141078943 1023445531 /nfs/dbraw/zinc/44/55/31/1023445531.db2.gz OJOAWXOKDTUAIP-UHFFFAOYSA-N 0 3 378.520 3.527 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756435075 1023646739 /nfs/dbraw/zinc/64/67/39/1023646739.db2.gz UUAAEFORRYNHKO-IFXJQAMLSA-N 0 3 398.478 3.569 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2c1c(F)ccc2[O-] ZINC000756443728 1023653940 /nfs/dbraw/zinc/65/39/40/1023653940.db2.gz UNJCDSVVSCPEDH-OGWOLHLISA-N 0 3 397.494 3.571 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756531979 1023701028 /nfs/dbraw/zinc/70/10/28/1023701028.db2.gz BWZQYIZBHUHSCD-UXPWSPDFSA-N 0 3 383.511 3.658 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c2c1c(F)ccc2[O-] ZINC000756591950 1023725719 /nfs/dbraw/zinc/72/57/19/1023725719.db2.gz HJIKUZYIEHPSSZ-QSGSBWRWSA-N 0 3 393.842 3.827 20 10 GHCDHN COc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)N(C)C)cc1OC ZINC000756665956 1023764627 /nfs/dbraw/zinc/76/46/27/1023764627.db2.gz XJPGAISLZNDBRR-XKQJLSEDSA-N 0 3 388.483 3.989 20 10 GHCDHN c1ccc(CN2C[C@@H]3COC[C@H](C2)N3Cc2ccc(N3CCCCC3)cc2)cc1 ZINC001138215707 1024381763 /nfs/dbraw/zinc/38/17/63/1024381763.db2.gz QLXULENCZSMFQQ-PLQXJYEYSA-N 0 3 391.559 3.762 20 10 GHCDHN O=C(Cc1ccccc1)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138220463 1024394749 /nfs/dbraw/zinc/39/47/49/1024394749.db2.gz FLDLHXQUAHYBOR-UHFFFAOYSA-N 0 3 391.559 3.954 20 10 GHCDHN Cc1c(CN2CCCN(C(=O)Cc3ccccc3)CC2)c2ccccc2n1C ZINC001138259914 1024490416 /nfs/dbraw/zinc/49/04/16/1024490416.db2.gz QYJGJRLKOLWRBD-UHFFFAOYSA-N 0 3 375.516 3.764 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@@]3(C[C@H](CCOC)CO3)C2)c(OC)c1 ZINC001138387685 1024761715 /nfs/dbraw/zinc/76/17/15/1024761715.db2.gz MEQKPIQISNUBAA-WMZHIEFXSA-N 0 3 390.568 3.949 20 10 GHCDHN CSc1cccc(-n2c(C)cc(C(=O)CN3C[C@@H]4CCN(C)[C@@H]4C3)c2C)c1 ZINC000831717966 1024780375 /nfs/dbraw/zinc/78/03/75/1024780375.db2.gz XDPASSXOPXAPMZ-LAUBAEHRSA-N 0 3 383.561 3.635 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(OC(F)(F)F)cc3)cc2F)CC1 ZINC000098173788 1026745359 /nfs/dbraw/zinc/74/53/59/1026745359.db2.gz SPSKCKJLBMUSPQ-UHFFFAOYSA-N 0 3 398.400 3.975 20 10 GHCDHN O=C1Nc2ccc(Br)cc2C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203558696 1027432381 /nfs/dbraw/zinc/43/23/81/1027432381.db2.gz WGPBRICEKQYHDO-UHFFFAOYSA-N 0 3 387.277 3.641 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203621277 1027483960 /nfs/dbraw/zinc/48/39/60/1027483960.db2.gz QWUXYDXUEDMMOS-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203621277 1027483969 /nfs/dbraw/zinc/48/39/69/1027483969.db2.gz QWUXYDXUEDMMOS-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001203622333 1027484765 /nfs/dbraw/zinc/48/47/65/1027484765.db2.gz YHGBWJINNAWLRT-GHTZIAJQSA-N 0 3 394.487 3.572 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)c([O-])c1 ZINC001203622333 1027484772 /nfs/dbraw/zinc/48/47/72/1027484772.db2.gz YHGBWJINNAWLRT-GHTZIAJQSA-N 0 3 394.487 3.572 20 10 GHCDHN CSc1nc(Cl)cc(N2CCCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203937234 1027730933 /nfs/dbraw/zinc/73/09/33/1027730933.db2.gz OYXUQYZUXFLMOB-UHFFFAOYSA-N 0 3 391.972 3.630 20 10 GHCDHN CCOc1ccc(O)c(CNCc2cc(Cl)cc(S(=O)(=O)CC)c2)c1 ZINC000840956469 1027985174 /nfs/dbraw/zinc/98/51/74/1027985174.db2.gz RSFCYUDHCYIHEQ-UHFFFAOYSA-N 0 3 383.897 3.528 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c1[O-] ZINC000841058308 1028078643 /nfs/dbraw/zinc/07/86/43/1028078643.db2.gz PHUJFFCFJHHKME-MRXNPFEDSA-N 0 3 377.282 3.913 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cc(-c4ccc(F)cc4F)on3)cc2)CC1 ZINC001461731849 1069708974 /nfs/dbraw/zinc/70/89/74/1069708974.db2.gz RJHDOWQQFYLNOM-UHFFFAOYSA-N 0 3 398.457 3.661 20 10 GHCDHN CO[C@H]1CCN[C@H](C(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)C1 ZINC001219203639 1031304202 /nfs/dbraw/zinc/30/42/02/1031304202.db2.gz KYOBGXKIMBBZMO-YRPZLXNTSA-N 0 3 379.504 3.629 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001220212709 1031839712 /nfs/dbraw/zinc/83/97/12/1031839712.db2.gz SXMOCZRXHBGBFI-GOSISDBHSA-N 0 3 381.863 3.948 20 10 GHCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1ccc(N(C)C)cc1C ZINC001461848802 1069790894 /nfs/dbraw/zinc/79/08/94/1069790894.db2.gz JMTKXNNFXCUHGC-UHFFFAOYSA-N 0 3 376.447 3.905 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001157433324 1033584635 /nfs/dbraw/zinc/58/46/35/1033584635.db2.gz JHWVKLZJQSEIJP-FDDCHVKYSA-N 0 3 378.516 3.853 20 10 GHCDHN CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427736 1033768630 /nfs/dbraw/zinc/76/86/30/1033768630.db2.gz VRWMGWBLRKOWNP-IFXJQAMLSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427736 1033768645 /nfs/dbraw/zinc/76/86/45/1033768645.db2.gz VRWMGWBLRKOWNP-IFXJQAMLSA-N 0 3 395.341 3.686 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001231469618 1034615311 /nfs/dbraw/zinc/61/53/11/1034615311.db2.gz PBWUZXUAJZRJDZ-HXUWFJFHSA-N 0 3 395.434 3.554 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001231469618 1034615320 /nfs/dbraw/zinc/61/53/20/1034615320.db2.gz PBWUZXUAJZRJDZ-HXUWFJFHSA-N 0 3 395.434 3.554 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001231586528 1034738023 /nfs/dbraw/zinc/73/80/23/1034738023.db2.gz BXKZYGZMXXRDRY-GOSISDBHSA-N 0 3 375.472 3.874 20 10 GHCDHN Cc1cc(C)c(CN2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(O)c1 ZINC001231841711 1034936631 /nfs/dbraw/zinc/93/66/31/1034936631.db2.gz DMMQIFZOLNPUII-UHFFFAOYSA-N 0 3 390.524 3.611 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001231851498 1034942340 /nfs/dbraw/zinc/94/23/40/1034942340.db2.gz DBMUBKSVPNVUIN-UHFFFAOYSA-N 0 3 391.556 3.840 20 10 GHCDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)c(Cl)c2)cc(OC)c1 ZINC001232199211 1035157153 /nfs/dbraw/zinc/15/71/53/1035157153.db2.gz QTCGGPROPRXUOW-UHFFFAOYSA-N 0 3 390.911 3.826 20 10 GHCDHN Cc1cc(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(C)n1-c1ccccc1 ZINC001461968927 1069920608 /nfs/dbraw/zinc/92/06/08/1069920608.db2.gz OVWWJBMJSDLDRC-HSZRJFAPSA-N 0 3 385.527 3.965 20 10 GHCDHN CN(C)c1cc(F)c(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001461976681 1069924912 /nfs/dbraw/zinc/92/49/12/1069924912.db2.gz HMWWZMODCIKPTL-UHFFFAOYSA-N 0 3 383.483 3.862 20 10 GHCDHN COc1cc(C)cc(CN2CCCC[C@H]2COC(=O)N2CCCCC2)c1O ZINC001462212679 1070087067 /nfs/dbraw/zinc/08/70/67/1070087067.db2.gz VGDDMZQOBZHBNZ-SFHVURJKSA-N 0 3 376.497 3.686 20 10 GHCDHN COc1cc(O)c(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)cc1Cl ZINC001232265292 1037986522 /nfs/dbraw/zinc/98/65/22/1037986522.db2.gz IYGLZBZVHNAGQB-CQSZACIVSA-N 0 3 392.931 3.668 20 10 GHCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1Cl ZINC001232269060 1037991832 /nfs/dbraw/zinc/99/18/32/1037991832.db2.gz ZYVJOGUASFZIAQ-OALUTQOASA-N 0 3 386.923 3.926 20 10 GHCDHN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N(C)C)cc1O ZINC001232836862 1038588924 /nfs/dbraw/zinc/58/89/24/1038588924.db2.gz VJXKZQISILJGFT-SFHVURJKSA-N 0 3 377.529 3.536 20 10 GHCDHN Cc1cc2ccccc2nc1N1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839326 1038590821 /nfs/dbraw/zinc/59/08/21/1038590821.db2.gz GJUFPHLIVYDMLB-UHFFFAOYSA-N 0 3 376.504 3.637 20 10 GHCDHN Cc1cc(Br)cc(CN2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001233109791 1038897658 /nfs/dbraw/zinc/89/76/58/1038897658.db2.gz DYXRSQSRBJRXRB-GOSISDBHSA-N 0 3 375.310 3.952 20 10 GHCDHN Cc1ccc([C@@H]2C[C@H]2NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001252213022 1038905099 /nfs/dbraw/zinc/90/50/99/1038905099.db2.gz FDICEKVDUMLFNC-BDTNDASRSA-N 0 3 380.536 3.519 20 10 GHCDHN O=C1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]2CCCN12 ZINC001233198479 1038962856 /nfs/dbraw/zinc/96/28/56/1038962856.db2.gz GTAJMXRFYWETFJ-OAHLLOKOSA-N 0 3 389.293 3.505 20 10 GHCDHN O=C1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]2CCCN12 ZINC001233198479 1038962860 /nfs/dbraw/zinc/96/28/60/1038962860.db2.gz GTAJMXRFYWETFJ-OAHLLOKOSA-N 0 3 389.293 3.505 20 10 GHCDHN Cc1nc(CN2CCC3(C[NH+](Cc4ccc(C(F)(F)F)cc4[O-])C3)C2)cs1 ZINC001233453815 1039343841 /nfs/dbraw/zinc/34/38/41/1039343841.db2.gz VIKUOWHYVJBIJV-UHFFFAOYSA-N 0 3 397.466 3.884 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](F)[C@@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526241 1040101314 /nfs/dbraw/zinc/10/13/14/1040101314.db2.gz RMIGRIONJZSADB-QZTJIDSGSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](F)[C@@](O)(C(F)(F)F)CC3)c2c1 ZINC001234526241 1040101325 /nfs/dbraw/zinc/10/13/25/1040101325.db2.gz RMIGRIONJZSADB-QZTJIDSGSA-N 0 3 387.373 3.781 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)c2c1 ZINC001234525797 1040101679 /nfs/dbraw/zinc/10/16/79/1040101679.db2.gz KBCOMYNIKSZSMH-UZLBHIALSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)c2c1 ZINC001234525797 1040101691 /nfs/dbraw/zinc/10/16/91/1040101691.db2.gz KBCOMYNIKSZSMH-UZLBHIALSA-N 0 3 398.503 3.995 20 10 GHCDHN CCOC[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cnn(CC)c21 ZINC001234535792 1040108695 /nfs/dbraw/zinc/10/86/95/1040108695.db2.gz HBZKZFOQATUDEO-GOSISDBHSA-N 0 3 395.503 3.906 20 10 GHCDHN CCOC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cnn(CC)c21 ZINC001234535792 1040108702 /nfs/dbraw/zinc/10/87/02/1040108702.db2.gz HBZKZFOQATUDEO-GOSISDBHSA-N 0 3 395.503 3.906 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)c2c1 ZINC001234545732 1040116691 /nfs/dbraw/zinc/11/66/91/1040116691.db2.gz SUUMOAGXXNFBIS-UHFFFAOYSA-N 0 3 395.503 3.718 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001235679929 1041141533 /nfs/dbraw/zinc/14/15/33/1041141533.db2.gz RAKIYXAMOBEYOO-XMMPIXPASA-N 0 3 393.531 3.709 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001235679929 1041141563 /nfs/dbraw/zinc/14/15/63/1041141563.db2.gz RAKIYXAMOBEYOO-XMMPIXPASA-N 0 3 393.531 3.709 20 10 GHCDHN CC(C)(C)c1ccc(CN2CCN(c3cccc4c3OCCO4)CC2)c(O)c1 ZINC001235682771 1041151238 /nfs/dbraw/zinc/15/12/38/1041151238.db2.gz DDEOGZRWWKZKIL-UHFFFAOYSA-N 0 3 382.504 3.783 20 10 GHCDHN CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256232772 1041667263 /nfs/dbraw/zinc/66/72/63/1041667263.db2.gz UFODKBDFHNAEFG-JOCHJYFZSA-N 0 3 398.551 3.596 20 10 GHCDHN CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236762811 1041877590 /nfs/dbraw/zinc/87/75/90/1041877590.db2.gz RQIPQHMYNNVZNN-UHFFFAOYSA-N 0 3 380.282 3.633 20 10 GHCDHN CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236762811 1041877600 /nfs/dbraw/zinc/87/76/00/1041877600.db2.gz RQIPQHMYNNVZNN-UHFFFAOYSA-N 0 3 380.282 3.633 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784800 1041890910 /nfs/dbraw/zinc/89/09/10/1041890910.db2.gz APQFIPADKXTATI-GMAHTHKFSA-N 0 3 382.504 3.800 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236784800 1041890913 /nfs/dbraw/zinc/89/09/13/1041890913.db2.gz APQFIPADKXTATI-GMAHTHKFSA-N 0 3 382.504 3.800 20 10 GHCDHN COC(=O)[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CCCCC1 ZINC001462573896 1070380490 /nfs/dbraw/zinc/38/04/90/1070380490.db2.gz QVABQBIEJOFYGY-INIZCTEOSA-N 0 3 384.314 3.922 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c([O-])c1 ZINC001236812413 1041912497 /nfs/dbraw/zinc/91/24/97/1041912497.db2.gz DMPYQGDYJNEEEO-UHFFFAOYSA-N 0 3 394.515 3.866 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c([O-])c1 ZINC001237043324 1042003072 /nfs/dbraw/zinc/00/30/72/1042003072.db2.gz PQBUZEXWLNUZMI-JTHBVZDNSA-N 0 3 398.503 3.526 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c([O-])c1 ZINC001237043324 1042003078 /nfs/dbraw/zinc/00/30/78/1042003078.db2.gz PQBUZEXWLNUZMI-JTHBVZDNSA-N 0 3 398.503 3.526 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(C3CN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001237046345 1042005540 /nfs/dbraw/zinc/00/55/40/1042005540.db2.gz AINDEGXMTQAUAX-UHFFFAOYSA-N 0 3 390.524 3.870 20 10 GHCDHN CC[C@H]1[N@H+](Cc2ccc(C(C)C)cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237049304 1042007780 /nfs/dbraw/zinc/00/77/80/1042007780.db2.gz VENUQRVHPSTBNZ-GGAORHGYSA-N 0 3 388.552 3.898 20 10 GHCDHN CC[C@H]1[N@@H+](Cc2ccc(C(C)C)cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237049304 1042007785 /nfs/dbraw/zinc/00/77/85/1042007785.db2.gz VENUQRVHPSTBNZ-GGAORHGYSA-N 0 3 388.552 3.898 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c([O-])c1 ZINC001237052399 1042010944 /nfs/dbraw/zinc/01/09/44/1042010944.db2.gz XHIHVLZJQYTFGI-JOCHJYFZSA-N 0 3 390.524 3.727 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c([O-])c1 ZINC001237052399 1042010952 /nfs/dbraw/zinc/01/09/52/1042010952.db2.gz XHIHVLZJQYTFGI-JOCHJYFZSA-N 0 3 390.524 3.727 20 10 GHCDHN CCc1nnc(C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])CC2)o1 ZINC001237059482 1042015363 /nfs/dbraw/zinc/01/53/63/1042015363.db2.gz OVJWVOPDQJFBEM-UHFFFAOYSA-N 0 3 385.386 3.658 20 10 GHCDHN C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114630 1042046491 /nfs/dbraw/zinc/04/64/91/1042046491.db2.gz BQSJBDQSGGGELL-UHFFFAOYSA-N 0 3 378.391 3.637 20 10 GHCDHN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114630 1042046499 /nfs/dbraw/zinc/04/64/99/1042046499.db2.gz BQSJBDQSGGGELL-UHFFFAOYSA-N 0 3 378.391 3.637 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC001462583566 1070388508 /nfs/dbraw/zinc/38/85/08/1070388508.db2.gz YIQUXWVBQHKNOO-SFTDATJTSA-N 0 3 384.545 3.641 20 10 GHCDHN COC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237135029 1042056718 /nfs/dbraw/zinc/05/67/18/1042056718.db2.gz FLZTVAXIYDICBI-UHFFFAOYSA-N 0 3 386.414 3.855 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCN(c3ccncn3)CC2)c(O)c1 ZINC001237210960 1042091804 /nfs/dbraw/zinc/09/18/04/1042091804.db2.gz BVDNCBCYJNXVAI-UHFFFAOYSA-N 0 3 397.567 3.911 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001237646288 1042301644 /nfs/dbraw/zinc/30/16/44/1042301644.db2.gz PTPIULDLTCDHAK-PMACEKPBSA-N 0 3 390.462 3.557 20 10 GHCDHN CCC(=O)N(c1ccccc1)C1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237674638 1042317582 /nfs/dbraw/zinc/31/75/82/1042317582.db2.gz KCJWHNVENFDOIA-UHFFFAOYSA-N 0 3 398.503 3.817 20 10 GHCDHN COc1cc(CN2CCN([C@H]3CCCc4ccccc43)CC2)c(O)c(OC)c1 ZINC001237682239 1042322715 /nfs/dbraw/zinc/32/27/15/1042322715.db2.gz WSDAJALQBYASBS-NRFANRHFSA-N 0 3 382.504 3.605 20 10 GHCDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2c(F)cccc2F)ccc1N1CCCCC1 ZINC000740899281 1044198264 /nfs/dbraw/zinc/19/82/64/1044198264.db2.gz DUOUEHRGZHNQRS-LJQANCHMSA-N 0 3 391.418 3.687 20 10 GHCDHN Cc1noc([C@H]2CC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)n1 ZINC000840124521 1045903006 /nfs/dbraw/zinc/90/30/06/1045903006.db2.gz OINBAZCJTLQHNA-ZDUSSCGKSA-N 0 3 388.265 3.989 20 10 GHCDHN Cc1noc([C@H]2CC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)n1 ZINC000840124521 1045903008 /nfs/dbraw/zinc/90/30/08/1045903008.db2.gz OINBAZCJTLQHNA-ZDUSSCGKSA-N 0 3 388.265 3.989 20 10 GHCDHN CCn1ccnc1CN1CCC2(CN(Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001279665324 1047904909 /nfs/dbraw/zinc/90/49/09/1047904909.db2.gz MHBDCUQIWBPWDQ-UHFFFAOYSA-N 0 3 395.334 3.623 20 10 GHCDHN CC/C(=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001463282412 1070961376 /nfs/dbraw/zinc/96/13/76/1070961376.db2.gz OCLNGGDTUMKLJS-RIXQQTFQSA-N 0 3 395.547 3.974 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc(F)cc3)no2)N(C)C)cc1 ZINC001289602656 1049558317 /nfs/dbraw/zinc/55/83/17/1049558317.db2.gz UHQRLZUOCMUWHK-HXUWFJFHSA-N 0 3 396.466 3.579 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc(F)cc3)no2)N(C)C)cc1 ZINC001289602655 1049558549 /nfs/dbraw/zinc/55/85/49/1049558549.db2.gz UHQRLZUOCMUWHK-FQEVSTJZSA-N 0 3 396.466 3.579 20 10 GHCDHN COc1ccc(N2CCN(CC[C@H](C)OCc3ccccc3)CC2)c(OC)c1 ZINC001308014580 1049763658 /nfs/dbraw/zinc/76/36/58/1049763658.db2.gz RTGREWSRCHFYSK-IBGZPJMESA-N 0 3 384.520 3.821 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)cc2Cl)N(C)C)cc1 ZINC001310062003 1051131578 /nfs/dbraw/zinc/13/15/78/1051131578.db2.gz HBOZSAQQUSYWNW-SFHVURJKSA-N 0 3 378.879 3.970 20 10 GHCDHN Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1N(C)C ZINC001310083819 1051143429 /nfs/dbraw/zinc/14/34/29/1051143429.db2.gz DCDYYLXAGKXMLG-OAQYLSRUSA-N 0 3 383.540 3.551 20 10 GHCDHN CCc1nc2cc(NC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)ccc2o1 ZINC001200711926 1056792459 /nfs/dbraw/zinc/79/24/59/1056792459.db2.gz AZQINZPXHZLCKT-IBGZPJMESA-N 0 3 395.507 3.881 20 10 GHCDHN Cn1cc(N2CC[C@H]([NH2+][C@@H](CCc3ccccc3)c3ccccc3[O-])C2)cn1 ZINC001324239076 1057095269 /nfs/dbraw/zinc/09/52/69/1057095269.db2.gz BHGJEMLMQBJQMG-UGKGYDQZSA-N 0 3 376.504 3.668 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1[O-] ZINC000848529996 1057151926 /nfs/dbraw/zinc/15/19/26/1057151926.db2.gz AWALSFHJZPLRAN-SGTLLEGYSA-N 0 3 380.282 3.722 20 10 GHCDHN COC(=O)Cc1ccccc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000848579189 1057192057 /nfs/dbraw/zinc/19/20/57/1057192057.db2.gz VVCYBRYXYDYZDF-UHFFFAOYSA-N 0 3 380.410 3.777 20 10 GHCDHN CCc1cccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1O ZINC000848904718 1057410248 /nfs/dbraw/zinc/41/02/48/1057410248.db2.gz AISIFTWISVUQDA-UHFFFAOYSA-N 0 3 386.443 3.537 20 10 GHCDHN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC001341691020 1060813578 /nfs/dbraw/zinc/81/35/78/1060813578.db2.gz FSGYUVNEBMIIQI-LSDHHAIUSA-N 0 3 382.932 3.948 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1[O-] ZINC001346507943 1061630649 /nfs/dbraw/zinc/63/06/49/1061630649.db2.gz YGCMUVLXAGKYGQ-QWRGUYRKSA-N 0 3 388.302 3.934 20 10 GHCDHN CCN(CC)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(OC)c1 ZINC001463914634 1064715994 /nfs/dbraw/zinc/71/59/94/1064715994.db2.gz LBZYXVLCZRTUJH-LJQANCHMSA-N 0 3 397.479 3.671 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC001467806756 1067476801 /nfs/dbraw/zinc/47/68/01/1067476801.db2.gz ZGBQSCOUWQEANT-JOCHJYFZSA-N 0 3 379.504 3.653 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCOc3ccccc32)N(C)C)cc1 ZINC001468504631 1067754458 /nfs/dbraw/zinc/75/44/58/1067754458.db2.gz OOWRDADGDTYYRX-RTWAWAEBSA-N 0 3 396.535 3.568 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1Cc1ccccc1 ZINC001478173063 1078751756 /nfs/dbraw/zinc/75/17/56/1078751756.db2.gz ADXIKXHKVKSJFJ-XLIONFOSSA-N 0 3 393.531 3.733 20 10 GHCDHN C[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1Cc1ccccc1 ZINC001478173061 1078752084 /nfs/dbraw/zinc/75/20/84/1078752084.db2.gz ADXIKXHKVKSJFJ-FXAWDEMLSA-N 0 3 393.531 3.733 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)N(C)C)cc1 ZINC001472281284 1073396825 /nfs/dbraw/zinc/39/68/25/1073396825.db2.gz UKRYSVQTKPKSFX-FQEVSTJZSA-N 0 3 384.911 3.920 20 10 GHCDHN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC001473970679 1074221353 /nfs/dbraw/zinc/22/13/53/1074221353.db2.gz XYDUOYCTQOMRGA-CABCVRRESA-N 0 3 396.373 3.832 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000153960298 834876112 /nfs/dbraw/zinc/87/61/12/834876112.db2.gz ZLHQKHMYUGKCBS-CVEARBPZSA-N 0 3 376.522 3.835 20 10 GHCDHN CCOc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F ZINC000278491395 835227155 /nfs/dbraw/zinc/22/71/55/835227155.db2.gz MAUCNFOYYYEVAM-UHFFFAOYSA-N 0 3 376.447 3.614 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000177816906 837260827 /nfs/dbraw/zinc/26/08/27/837260827.db2.gz AHQICDWXUIGTOQ-KRWDZBQOSA-N 0 3 389.565 3.634 20 10 GHCDHN COc1ccc(CNCc2ccc(C)cc2OC[C@H]2CCCO2)c(O)c1OC ZINC000893133095 838209520 /nfs/dbraw/zinc/20/95/20/838209520.db2.gz AFPNOIKAUYCZHS-GOSISDBHSA-N 0 3 387.476 3.565 20 10 GHCDHN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181526231 838776227 /nfs/dbraw/zinc/77/62/27/838776227.db2.gz VJNQGZYGYVTYOM-MAUKXSAKSA-N 0 3 383.458 3.881 20 10 GHCDHN COc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(O)c1OC ZINC000894082513 844462451 /nfs/dbraw/zinc/46/24/51/844462451.db2.gz ZYQBRHLUQDLMIJ-UHFFFAOYSA-N 0 3 386.326 3.626 20 10 GHCDHN COCCN1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1 ZINC000730788812 861283470 /nfs/dbraw/zinc/28/34/70/861283470.db2.gz AMDARCUFILFEPB-HXUWFJFHSA-N 0 3 383.536 3.668 20 10 GHCDHN COCc1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000165189132 843074574 /nfs/dbraw/zinc/07/45/74/843074574.db2.gz GWMGPIZTEGRBRL-MRXNPFEDSA-N 0 3 388.483 3.668 20 10 GHCDHN Cc1cc(CC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000732033937 862034995 /nfs/dbraw/zinc/03/49/95/862034995.db2.gz CHMSBCRAMKQGNS-OAQYLSRUSA-N 0 3 385.939 3.985 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c2c1c(F)ccc2[O-] ZINC000760020260 852016957 /nfs/dbraw/zinc/01/69/57/852016957.db2.gz UQRDALOKFFOEIN-POAQFYNOSA-N 0 3 384.495 3.960 20 10 GHCDHN COc1cc(C)cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1O ZINC000163890028 853610255 /nfs/dbraw/zinc/61/02/55/853610255.db2.gz SXVUTHCIKVUHHD-UHFFFAOYSA-N 0 3 380.488 3.766 20 10 GHCDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)c2ccccc2O1 ZINC000760818769 855885817 /nfs/dbraw/zinc/88/58/17/855885817.db2.gz RGQSRJUQTKERML-WOLCWHLNSA-N 0 3 385.533 3.810 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)OC(C)(C)C4)c2)CC1 ZINC001128206106 857249242 /nfs/dbraw/zinc/24/92/42/857249242.db2.gz BPMQOINKPDZANT-UHFFFAOYSA-N 0 3 379.504 3.794 20 10 GHCDHN CN(C)c1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1F ZINC000131905997 857306053 /nfs/dbraw/zinc/30/60/53/857306053.db2.gz LKJOFOUOMRGABW-UHFFFAOYSA-N 0 3 390.890 3.791 20 10 GHCDHN Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765980337 859346728 /nfs/dbraw/zinc/34/67/28/859346728.db2.gz YXSKPBDBOORYJY-QGZVFWFLSA-N 0 3 398.528 3.827 20 10 GHCDHN C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000764564211 859510136 /nfs/dbraw/zinc/51/01/36/859510136.db2.gz PMDGQIRYXFDMRM-RDJZCZTQSA-N 0 3 388.895 3.667 20 10 GHCDHN CC(C)(C)c1cc(CNCCS(=O)(=O)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000765280613 859886318 /nfs/dbraw/zinc/88/63/18/859886318.db2.gz MXRKNOJVPPRTEF-UHFFFAOYSA-N 0 3 381.582 3.902 20 10 GHCDHN CN(C)CC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1cccnc1 ZINC000922631827 860362174 /nfs/dbraw/zinc/36/21/74/860362174.db2.gz XFXQGDRKTHEJFP-INIZCTEOSA-N 0 3 398.732 3.986 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765662109 860389995 /nfs/dbraw/zinc/38/99/95/860389995.db2.gz JQXYYIKGVSDXOF-JOCHJYFZSA-N 0 3 384.568 3.835 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000730062106 860842846 /nfs/dbraw/zinc/84/28/46/860842846.db2.gz JDYDYGAPMAQURR-QFIPXVFZSA-N 0 3 379.548 3.666 20 10 GHCDHN CCOc1cncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000856770856 881734712 /nfs/dbraw/zinc/73/47/12/881734712.db2.gz PCEINPBOBFISQE-SFHVURJKSA-N 0 3 375.900 3.594 20 10 GHCDHN CCNC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000792918715 881812918 /nfs/dbraw/zinc/81/29/18/881812918.db2.gz WYQAEFKPVBFLRM-UHFFFAOYSA-N 0 3 379.426 3.811 20 10 GHCDHN COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000738057810 865489979 /nfs/dbraw/zinc/48/99/79/865489979.db2.gz SHJBOLUMLKJPQX-ZDUSSCGKSA-N 0 3 378.266 3.693 20 10 GHCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000738057810 865489981 /nfs/dbraw/zinc/48/99/81/865489981.db2.gz SHJBOLUMLKJPQX-ZDUSSCGKSA-N 0 3 378.266 3.693 20 10 GHCDHN COc1ccc(O)c(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC000174424998 865789348 /nfs/dbraw/zinc/78/93/48/865789348.db2.gz PJNMULSYEYEURN-GOSISDBHSA-N 0 3 377.868 3.902 20 10 GHCDHN CN(Cc1c[nH]nc1-c1ccccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000121309254 866050864 /nfs/dbraw/zinc/05/08/64/866050864.db2.gz WMMFYZZBVQYXHI-UHFFFAOYSA-N 0 3 380.467 3.684 20 10 GHCDHN Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000183349600 866639909 /nfs/dbraw/zinc/63/99/09/866639909.db2.gz IQRJQXRQXFNCSP-DEOSSOPVSA-N 0 3 379.548 3.758 20 10 GHCDHN Cc1cc(CCNCCS(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000741936968 866924595 /nfs/dbraw/zinc/92/45/95/866924595.db2.gz MQIHAEHXDBRJNZ-UHFFFAOYSA-N 0 3 382.529 3.700 20 10 GHCDHN C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000763626340 866950913 /nfs/dbraw/zinc/95/09/13/866950913.db2.gz MARHRDPRRCRCRB-UHFFFAOYSA-N 0 3 382.504 3.709 20 10 GHCDHN C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000763626340 866950928 /nfs/dbraw/zinc/95/09/28/866950928.db2.gz MARHRDPRRCRCRB-UHFFFAOYSA-N 0 3 382.504 3.709 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000742392562 867258865 /nfs/dbraw/zinc/25/88/65/867258865.db2.gz QUILDNXOGSAKGO-MZYLBHOOSA-N 0 3 377.532 3.779 20 10 GHCDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000743978933 868526657 /nfs/dbraw/zinc/52/66/57/868526657.db2.gz BWOLAHJRWPKINC-INIZCTEOSA-N 0 3 379.464 3.641 20 10 GHCDHN CN(Cc1ccccc1O)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000744401249 868809744 /nfs/dbraw/zinc/80/97/44/868809744.db2.gz BPVJJYUJDHMHLB-KRWDZBQOSA-N 0 3 376.403 3.621 20 10 GHCDHN CN1CCN(c2ccc(CN3CCn4cccc4[C@@H]3c3ccccc3)cc2)CC1 ZINC000775650122 872350311 /nfs/dbraw/zinc/35/03/11/872350311.db2.gz QSJBYCGSGFZBMX-VWLOTQADSA-N 0 3 386.543 3.845 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4nccc(C(C)C)n4)CC3)c2c1 ZINC000767498268 872553262 /nfs/dbraw/zinc/55/32/62/872553262.db2.gz OEUMTYPOUQJLSC-UHFFFAOYSA-N 0 3 392.503 3.790 20 10 GHCDHN COc1ccc2ccc(O)c(CN3CCN(c4nccc(C(C)C)n4)CC3)c2c1 ZINC000767498268 872553276 /nfs/dbraw/zinc/55/32/76/872553276.db2.gz OEUMTYPOUQJLSC-UHFFFAOYSA-N 0 3 392.503 3.790 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=S)Nc3ccc4c(c3)OCO4)c2)CC1 ZINC000767914477 872932424 /nfs/dbraw/zinc/93/24/24/872932424.db2.gz MURYEKBNHQUEFQ-UHFFFAOYSA-N 0 3 398.532 3.755 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000768162576 873124043 /nfs/dbraw/zinc/12/40/43/873124043.db2.gz QUOSDUAZACAEBH-OALUTQOASA-N 0 3 390.524 3.773 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000768162576 873124048 /nfs/dbraw/zinc/12/40/48/873124048.db2.gz QUOSDUAZACAEBH-OALUTQOASA-N 0 3 390.524 3.773 20 10 GHCDHN O=C(CCc1ccccc1)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768464137 873327721 /nfs/dbraw/zinc/32/77/21/873327721.db2.gz NOWDPGALYDJJMD-UHFFFAOYSA-N 0 3 392.543 3.938 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1F ZINC000768798822 873589974 /nfs/dbraw/zinc/58/99/74/873589974.db2.gz OHVHYGGDUIPGRN-OAHLLOKOSA-N 0 3 390.890 3.791 20 10 GHCDHN Cn1nccc1[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768941905 873667923 /nfs/dbraw/zinc/66/79/23/873667923.db2.gz VXZSOPMPLVCUGK-SFHVURJKSA-N 0 3 383.496 3.698 20 10 GHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000769320500 873964373 /nfs/dbraw/zinc/96/43/73/873964373.db2.gz REHKDFGHLQSRDQ-IBGZPJMESA-N 0 3 384.520 3.514 20 10 GHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000769320500 873964375 /nfs/dbraw/zinc/96/43/75/873964375.db2.gz REHKDFGHLQSRDQ-IBGZPJMESA-N 0 3 384.520 3.514 20 10 GHCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769403874 874024539 /nfs/dbraw/zinc/02/45/39/874024539.db2.gz YJVOZNCUTJGHPS-MRXNPFEDSA-N 0 3 389.883 3.908 20 10 GHCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769403874 874024558 /nfs/dbraw/zinc/02/45/58/874024558.db2.gz YJVOZNCUTJGHPS-MRXNPFEDSA-N 0 3 389.883 3.908 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-c4cnco4)cc3)c2)CC1 ZINC000770143552 874493691 /nfs/dbraw/zinc/49/36/91/874493691.db2.gz NSZPTPNINBPXLZ-UHFFFAOYSA-N 0 3 376.460 3.736 20 10 GHCDHN CCOc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1OCC ZINC000770144238 874496494 /nfs/dbraw/zinc/49/64/94/874496494.db2.gz URECXSZPARZOJD-UHFFFAOYSA-N 0 3 397.519 3.878 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000151574029 875054830 /nfs/dbraw/zinc/05/48/30/875054830.db2.gz KXHDJJPDLLSGDB-GOSISDBHSA-N 0 3 396.531 3.907 20 10 GHCDHN COc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1C ZINC001201889703 875907600 /nfs/dbraw/zinc/90/76/00/875907600.db2.gz RFSBAKCMUSSNIR-KRWDZBQOSA-N 0 3 392.421 3.913 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746724598 877780007 /nfs/dbraw/zinc/78/00/07/877780007.db2.gz QAJGBQGCMVQQHW-PGRDOPGGSA-N 0 3 392.547 3.704 20 10 GHCDHN COC(=O)COc1ccc(C[N@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)cc1 ZINC000774570507 912287743 /nfs/dbraw/zinc/28/77/43/912287743.db2.gz BURTVODLTRKIIB-UHFFFAOYSA-N 0 3 395.455 3.738 20 10 GHCDHN COC(=O)COc1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)cc1 ZINC000774570507 912287759 /nfs/dbraw/zinc/28/77/59/912287759.db2.gz BURTVODLTRKIIB-UHFFFAOYSA-N 0 3 395.455 3.738 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1[O-] ZINC000789866182 879325221 /nfs/dbraw/zinc/32/52/21/879325221.db2.gz NAOJAGDSSFULED-AATRIKPKSA-N 0 3 385.302 3.634 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000789902480 879347685 /nfs/dbraw/zinc/34/76/85/879347685.db2.gz BZXNGMMLETVFGN-QFIPXVFZSA-N 0 3 394.563 3.949 20 10 GHCDHN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(CN4CCCCC4)c3)C2)cc1 ZINC000855227749 880372313 /nfs/dbraw/zinc/37/23/13/880372313.db2.gz ZNYZAMOQEYEEJK-OAQYLSRUSA-N 0 3 393.531 3.690 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000772799116 881197382 /nfs/dbraw/zinc/19/73/82/881197382.db2.gz WUMNKWCYTDULQK-CQSZACIVSA-N 0 3 387.436 3.548 20 10 GHCDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000114253477 881229018 /nfs/dbraw/zinc/22/90/18/881229018.db2.gz SPWHVJGGWDYMCM-UHFFFAOYSA-N 0 3 377.488 3.807 20 10 GHCDHN Cn1ccnc1[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000183289023 883277129 /nfs/dbraw/zinc/27/71/29/883277129.db2.gz IGLIMIYRNCNMRY-CRAIPNDOSA-N 0 3 376.451 3.731 20 10 GHCDHN COc1ccc(C2=NO[C@@H](CNC/C=C/c3ccc(N(C)C)cc3)C2)cc1F ZINC001183618418 912703122 /nfs/dbraw/zinc/70/31/22/912703122.db2.gz HQDAUDBFYHNZLU-VZSQWMKGSA-N 0 3 383.467 3.696 20 10 GHCDHN CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000185171395 883413291 /nfs/dbraw/zinc/41/32/91/883413291.db2.gz LWCMTZQUIIJRCG-OAHLLOKOSA-N 0 3 386.467 3.885 20 10 GHCDHN CC[C@H](C)N[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000807441643 885475623 /nfs/dbraw/zinc/47/56/23/885475623.db2.gz LZDZKPXJYMCZNF-HNAYVOBHSA-N 0 3 385.508 3.793 20 10 GHCDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808204023 886136885 /nfs/dbraw/zinc/13/68/85/886136885.db2.gz ZOPZPEXIQCURKF-BBRMVZONSA-N 0 3 378.513 3.883 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](OCc4c(C)noc4C)C3)c2c1 ZINC000762470129 886249482 /nfs/dbraw/zinc/24/94/82/886249482.db2.gz BZEZRYZEIKCXNJ-SFHVURJKSA-N 0 3 382.460 3.950 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](OCc4c(C)noc4C)C3)c2c1 ZINC000762470129 886249504 /nfs/dbraw/zinc/24/95/04/886249504.db2.gz BZEZRYZEIKCXNJ-SFHVURJKSA-N 0 3 382.460 3.950 20 10 GHCDHN Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000762545543 886369204 /nfs/dbraw/zinc/36/92/04/886369204.db2.gz FNYZLDNNLWVUNJ-NRFANRHFSA-N 0 3 388.515 3.836 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC000862484464 886404405 /nfs/dbraw/zinc/40/44/05/886404405.db2.gz PQKIMNWNHZSANC-GJZGRUSLSA-N 0 3 388.430 3.917 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC000862484464 886404419 /nfs/dbraw/zinc/40/44/19/886404419.db2.gz PQKIMNWNHZSANC-GJZGRUSLSA-N 0 3 388.430 3.917 20 10 GHCDHN CC[S@](=O)c1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000118999197 886485579 /nfs/dbraw/zinc/48/55/79/886485579.db2.gz DKJBDNSREHYMAB-MUUNZHRXSA-N 0 3 399.560 3.597 20 10 GHCDHN Cc1nc2sccn2c(=O)c1CC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000795953761 913106377 /nfs/dbraw/zinc/10/63/77/913106377.db2.gz VXCAXNKEWFLBLQ-UHFFFAOYSA-N 0 3 395.484 3.608 20 10 GHCDHN Cc1nc2sccn2c(=O)c1CC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000795953761 913106384 /nfs/dbraw/zinc/10/63/84/913106384.db2.gz VXCAXNKEWFLBLQ-UHFFFAOYSA-N 0 3 395.484 3.608 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1[O-] ZINC000809690739 887667689 /nfs/dbraw/zinc/66/76/89/887667689.db2.gz XTQIEWKPZBVCQX-GFCCVEGCSA-N 0 3 378.822 3.635 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1[O-] ZINC000809690739 887667695 /nfs/dbraw/zinc/66/76/95/887667695.db2.gz XTQIEWKPZBVCQX-GFCCVEGCSA-N 0 3 378.822 3.635 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697994 887678153 /nfs/dbraw/zinc/67/81/53/887678153.db2.gz SYTJYSLJDLIKPC-PKOBYXMFSA-N 0 3 395.421 3.964 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697994 887678161 /nfs/dbraw/zinc/67/81/61/887678161.db2.gz SYTJYSLJDLIKPC-PKOBYXMFSA-N 0 3 395.421 3.964 20 10 GHCDHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2cccc(O)c2C1 ZINC001184404975 913192000 /nfs/dbraw/zinc/19/20/00/913192000.db2.gz YFVNUVXYLVGDSP-SFHVURJKSA-N 0 3 384.907 3.843 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794791901 888073721 /nfs/dbraw/zinc/07/37/21/888073721.db2.gz JZCZURPYGIKWQQ-OAQYLSRUSA-N 0 3 381.520 3.844 20 10 GHCDHN OCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000865654991 888501076 /nfs/dbraw/zinc/50/10/76/888501076.db2.gz YARISUABXWVCNX-FQEVSTJZSA-N 0 3 378.875 3.529 20 10 GHCDHN CCOc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccc1O ZINC000916836160 890271726 /nfs/dbraw/zinc/27/17/26/890271726.db2.gz HLUZEYCOZGJYLB-IYBDPMFKSA-N 0 3 388.483 3.833 20 10 GHCDHN COc1ccc(CN[C@H]2CCN(C(C)=O)c3ccccc32)cc1Cn1cccn1 ZINC000873098390 891470470 /nfs/dbraw/zinc/47/04/70/891470470.db2.gz PKRPRFLACJAKHU-NRFANRHFSA-N 0 3 390.487 3.528 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176086 892328861 /nfs/dbraw/zinc/32/88/61/892328861.db2.gz MAYNZMOJJBTKHG-QAPCUYQASA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176086 892328876 /nfs/dbraw/zinc/32/88/76/892328876.db2.gz MAYNZMOJJBTKHG-QAPCUYQASA-N 0 3 376.497 3.622 20 10 GHCDHN O=C(N[C@@H]1C[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1)OCc1ccccc1 ZINC000814177341 892341622 /nfs/dbraw/zinc/34/16/22/892341622.db2.gz YZSFMPHCESSSQW-LEWJYISDSA-N 0 3 380.488 3.919 20 10 GHCDHN COc1ccc(C2(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)CCC2)cc1 ZINC001134681847 893217454 /nfs/dbraw/zinc/21/74/54/893217454.db2.gz KCMRPBNFUKPNPW-QFIPXVFZSA-N 0 3 395.547 3.602 20 10 GHCDHN Cc1cccc(OCCCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001134682050 893218733 /nfs/dbraw/zinc/21/87/33/893218733.db2.gz QZPVPCQXUKJULL-QFIPXVFZSA-N 0 3 383.536 3.639 20 10 GHCDHN C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccccc1[O-] ZINC000877756555 893793275 /nfs/dbraw/zinc/79/32/75/893793275.db2.gz ROACEFSMMCANON-OAHLLOKOSA-N 0 3 379.460 3.805 20 10 GHCDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818221909 896086130 /nfs/dbraw/zinc/08/61/30/896086130.db2.gz VEYOGXOFKPXTHI-INIZCTEOSA-N 0 3 385.464 3.618 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3csc(-c4ccccn4)n3)C2)cc1 ZINC000818221326 896086215 /nfs/dbraw/zinc/08/62/15/896086215.db2.gz QSQMJEINAYJJAW-INIZCTEOSA-N 0 3 380.517 3.830 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)OCCCCO2 ZINC000823391324 899006117 /nfs/dbraw/zinc/00/61/17/899006117.db2.gz WBBUYWVOKUHHJW-UHFFFAOYSA-N 0 3 382.504 3.707 20 10 GHCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3nc(C)sc3C)CC2)cc1 ZINC000772871034 899062040 /nfs/dbraw/zinc/06/20/40/899062040.db2.gz SJUCMNZOKDRSAJ-INIZCTEOSA-N 0 3 388.581 3.631 20 10 GHCDHN C[C@@H](NCc1ccccc1Cn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119237635 899566809 /nfs/dbraw/zinc/56/68/09/899566809.db2.gz JQNSRONGGIPAJH-GOSISDBHSA-N 0 3 394.494 3.758 20 10 GHCDHN Clc1cccc(-n2ccnc2)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000824477220 899621007 /nfs/dbraw/zinc/62/10/07/899621007.db2.gz MDWRJRKJMRPRNU-UHFFFAOYSA-N 0 3 382.895 3.652 20 10 GHCDHN COc1cc(CN2CCC([C@H](O)C(F)(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000824894942 899865188 /nfs/dbraw/zinc/86/51/88/899865188.db2.gz MQXOHGFKXMIWAK-KRWDZBQOSA-N 0 3 375.431 3.834 20 10 GHCDHN CCOc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000137266517 900846899 /nfs/dbraw/zinc/84/68/99/900846899.db2.gz WWHRTOAOVFIIAQ-LJQANCHMSA-N 0 3 398.503 3.801 20 10 GHCDHN CCOc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000137266517 900846901 /nfs/dbraw/zinc/84/69/01/900846901.db2.gz WWHRTOAOVFIIAQ-LJQANCHMSA-N 0 3 398.503 3.801 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000886747022 901251116 /nfs/dbraw/zinc/25/11/16/901251116.db2.gz JATPNGHNZOPUIV-FQEVSTJZSA-N 0 3 399.535 3.854 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cnc2ccsc2c1 ZINC000886747407 901252175 /nfs/dbraw/zinc/25/21/75/901252175.db2.gz SNSJPVUTCJJZQY-HNNXBMFYSA-N 0 3 394.544 3.849 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(C)cc1[O-] ZINC000886749620 901255126 /nfs/dbraw/zinc/25/51/26/901255126.db2.gz XTQZWGPAQUXMEW-NRFANRHFSA-N 0 3 381.520 3.643 20 10 GHCDHN COc1ccc(N2CCC(N[C@H](Cc3ccccc3)c3nccn3C)CC2)cc1 ZINC000846055323 902642506 /nfs/dbraw/zinc/64/25/06/902642506.db2.gz ATFDYOGRZAAOQA-HSZRJFAPSA-N 0 3 390.531 3.971 20 10 GHCDHN C[C@H](O)c1ncc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000290439274 914682496 /nfs/dbraw/zinc/68/24/96/914682496.db2.gz SDVDXLZADFOSNO-STQMWFEESA-N 0 3 383.464 3.556 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000103604245 903886152 /nfs/dbraw/zinc/88/61/52/903886152.db2.gz MBJMZUJVPIOIHR-OXJNMPFZSA-N 0 3 383.492 3.598 20 10 GHCDHN COCc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000151226104 904089633 /nfs/dbraw/zinc/08/96/33/904089633.db2.gz OGNYTBOONCIQNF-OAHLLOKOSA-N 0 3 376.447 3.799 20 10 GHCDHN C[C@H](NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1O ZINC001175425561 907545309 /nfs/dbraw/zinc/54/53/09/907545309.db2.gz CBCIPJOOZGISRA-ZDUSSCGKSA-N 0 3 385.464 3.868 20 10 GHCDHN C[C@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1[O-] ZINC001175425561 907545317 /nfs/dbraw/zinc/54/53/17/907545317.db2.gz CBCIPJOOZGISRA-ZDUSSCGKSA-N 0 3 385.464 3.868 20 10 GHCDHN COc1ccc(F)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001177811117 908765885 /nfs/dbraw/zinc/76/58/85/908765885.db2.gz SMBJUEXPPSNSIH-KRWDZBQOSA-N 0 3 378.875 3.948 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCC2 ZINC000192723542 908817251 /nfs/dbraw/zinc/81/72/51/908817251.db2.gz MASKINMELDEDSE-QHCPKHFHSA-N 0 3 395.503 3.971 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1F ZINC001179086301 909380617 /nfs/dbraw/zinc/38/06/17/909380617.db2.gz PMGKRSOXKFQLJB-ROUUACIJSA-N 0 3 395.494 3.956 20 10 GHCDHN COc1cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001180788605 910341239 /nfs/dbraw/zinc/34/12/39/910341239.db2.gz XNVTVDZQVIHVQR-UHFFFAOYSA-N 0 3 380.529 3.997 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1[O-] ZINC001180802392 910378030 /nfs/dbraw/zinc/37/80/30/910378030.db2.gz OPFXJNYNKFWYRZ-UHFFFAOYSA-N 0 3 387.318 3.858 20 10 GHCDHN CCOc1cccc(CN2CCC(Oc3c(OC)cccc3OC)CC2)c1O ZINC000271105768 910782228 /nfs/dbraw/zinc/78/22/28/910782228.db2.gz AGDXFBYECZCKIH-UHFFFAOYSA-N 0 3 387.476 3.852 20 10 GHCDHN COc1cc(C)cc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1O ZINC000795633340 911498630 /nfs/dbraw/zinc/49/86/30/911498630.db2.gz FRPNTCIAGLUPAF-OAQYLSRUSA-N 0 3 396.531 3.813 20 10 GHCDHN C[C@@H](N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483989 911789655 /nfs/dbraw/zinc/78/96/55/911789655.db2.gz QYTHVIYXAGVJJR-FZKQIMNGSA-N 0 3 379.426 3.519 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000774484758 911792098 /nfs/dbraw/zinc/79/20/98/911792098.db2.gz SDRPWXHITMNPOH-DLBZAZTESA-N 0 3 394.519 3.557 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H](F)c3ccccc3F)CC1)[C@H](O)CO2 ZINC000795657128 911996319 /nfs/dbraw/zinc/99/63/19/911996319.db2.gz KXSXQTBWADXBLT-CTNGQTDRSA-N 0 3 375.415 3.880 20 10 GHCDHN C[C@@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258942 916687678 /nfs/dbraw/zinc/68/76/78/916687678.db2.gz CIPPBEQDMLJKFX-RBUKOAKNSA-N 0 3 393.531 3.542 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000775363554 917171700 /nfs/dbraw/zinc/17/17/00/917171700.db2.gz MNVDEVCIWXVSPA-QGZVFWFLSA-N 0 3 382.504 3.680 20 10 GHCDHN CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1[O-] ZINC000775484690 918233986 /nfs/dbraw/zinc/23/39/86/918233986.db2.gz HNBFJDXHGBSTFA-QFIPXVFZSA-N 0 3 383.536 3.654 20 10 GHCDHN CC[C@@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775510992 918520684 /nfs/dbraw/zinc/52/06/84/918520684.db2.gz BYTVDZNWLQSRNP-GOSISDBHSA-N 0 3 395.975 3.713 20 10 GHCDHN CCn1nc(C)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1C ZINC000113359288 919367309 /nfs/dbraw/zinc/36/73/09/919367309.db2.gz KFLMFTMNZBYZGG-SFHVURJKSA-N 0 3 376.932 3.633 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000749114493 924029157 /nfs/dbraw/zinc/02/91/57/924029157.db2.gz FGGNVHKGFYPCHG-QLJPJBMISA-N 0 3 384.245 3.514 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1[O-] ZINC000372418273 925410110 /nfs/dbraw/zinc/41/01/10/925410110.db2.gz UCEJWJCVOMSWAT-ZDUSSCGKSA-N 0 3 387.281 3.895 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c([O-])c1 ZINC000725850329 926467710 /nfs/dbraw/zinc/46/77/10/926467710.db2.gz ZFPGXKYBNZGKMI-FQEVSTJZSA-N 0 3 390.911 3.607 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000726189815 926583136 /nfs/dbraw/zinc/58/31/36/926583136.db2.gz MUCXQYOMSKAPPT-QGZVFWFLSA-N 0 3 397.519 3.898 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726608049 926761567 /nfs/dbraw/zinc/76/15/67/926761567.db2.gz JIOGJGZLDIXWHY-UHFFFAOYSA-N 0 3 378.419 3.761 20 10 GHCDHN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753542714 929401453 /nfs/dbraw/zinc/40/14/53/929401453.db2.gz NPWLRCOJMOKHIZ-HXUWFJFHSA-N 0 3 380.488 3.558 20 10 GHCDHN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753542714 929401460 /nfs/dbraw/zinc/40/14/60/929401460.db2.gz NPWLRCOJMOKHIZ-HXUWFJFHSA-N 0 3 380.488 3.558 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000758306175 930006467 /nfs/dbraw/zinc/00/64/67/930006467.db2.gz BYIZHHXJYZPALC-AWEZNQCLSA-N 0 3 397.466 3.758 20 10 GHCDHN CCOCc1cc(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ccc1OC ZINC000798504773 932678989 /nfs/dbraw/zinc/67/89/89/932678989.db2.gz DMFKZINQQYQYOC-LAUBAEHRSA-N 0 3 382.504 3.511 20 10 GHCDHN [O-]c1ccc(Br)cc1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236268770 1032592382 /nfs/dbraw/zinc/59/23/82/1032592382.db2.gz GJEHHULXPRJRJG-GOSISDBHSA-N 0 3 375.310 3.909 20 10 GHCDHN CCOC(=O)Cc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204326431 1032770230 /nfs/dbraw/zinc/77/02/30/1032770230.db2.gz XZDOWUZXRZONKG-UHFFFAOYSA-N 0 3 378.516 3.951 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1[O-] ZINC000800529250 1021315412 /nfs/dbraw/zinc/31/54/12/1021315412.db2.gz GKKYIQVTEZZRCZ-AWEZNQCLSA-N 0 3 386.673 3.640 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000834685085 1021367113 /nfs/dbraw/zinc/36/71/13/1021367113.db2.gz HGYHKSGVEGWPJG-YOEHRIQHSA-N 0 3 381.394 3.719 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)CC2 ZINC000834901220 1021647981 /nfs/dbraw/zinc/64/79/81/1021647981.db2.gz YTHMFACMRCUXBV-SJKOYZFVSA-N 0 3 394.284 3.722 20 10 GHCDHN CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(C)cc1[O-] ZINC000834904159 1021656371 /nfs/dbraw/zinc/65/63/71/1021656371.db2.gz NLMJPLVABRGAPU-AEFFLSMTSA-N 0 3 378.513 3.767 20 10 GHCDHN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCC[C@@H]3CF)cc2)CC1 ZINC001140479765 1021775203 /nfs/dbraw/zinc/77/52/03/1021775203.db2.gz VTCQDSMNOFQIOV-LJQANCHMSA-N 0 3 377.504 3.678 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000835026131 1021782978 /nfs/dbraw/zinc/78/29/78/1021782978.db2.gz QELYNAYNGDEGIS-RMKNXTFCSA-N 0 3 377.532 3.794 20 10 GHCDHN CN(C)c1ccc(/C=C\CNc2ccc(OCCN3CCN(C)CC3)cc2)cc1 ZINC000835030252 1021786992 /nfs/dbraw/zinc/78/69/92/1021786992.db2.gz BILUHYCUMDFUSX-PLNGDYQASA-N 0 3 394.563 3.504 20 10 GHCDHN CN(C)c1ccc(/C=C/CNc2ccc(OCCN3CCN(C)CC3)cc2)cc1 ZINC000835030255 1021787358 /nfs/dbraw/zinc/78/73/58/1021787358.db2.gz BILUHYCUMDFUSX-SNAWJCMRSA-N 0 3 394.563 3.504 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000835071723 1021863532 /nfs/dbraw/zinc/86/35/32/1021863532.db2.gz ZYOMZIYXCDWCCG-QUCCMNQESA-N 0 3 390.524 3.677 20 10 GHCDHN Cc1cc(CN2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)n[nH]1 ZINC001203081553 1022964863 /nfs/dbraw/zinc/96/48/63/1022964863.db2.gz WQDPNPNGSSZSLS-SFHVURJKSA-N 0 3 399.878 3.679 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)c2cc(C)ccc21 ZINC001140949602 1022970345 /nfs/dbraw/zinc/97/03/45/1022970345.db2.gz FMZLTLIBIIIFNS-OAQYLSRUSA-N 0 3 393.531 3.917 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccc(C)cc4[O-])C3)C2)cc1 ZINC001140952459 1022981687 /nfs/dbraw/zinc/98/16/87/1022981687.db2.gz SNCZQXXIIHYKGW-DEOSSOPVSA-N 0 3 396.531 3.828 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc(C)cc4[O-])C3)C2)cc1 ZINC001140952459 1022981690 /nfs/dbraw/zinc/98/16/90/1022981690.db2.gz SNCZQXXIIHYKGW-DEOSSOPVSA-N 0 3 396.531 3.828 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035031 1023328212 /nfs/dbraw/zinc/32/82/12/1023328212.db2.gz ZOFDTMMUCGZGMK-FDDCHVKYSA-N 0 3 383.488 3.948 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035031 1023328218 /nfs/dbraw/zinc/32/82/18/1023328218.db2.gz ZOFDTMMUCGZGMK-FDDCHVKYSA-N 0 3 383.488 3.948 20 10 GHCDHN CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000756097584 1023520304 /nfs/dbraw/zinc/52/03/04/1023520304.db2.gz CFXOYKHOZFYOQU-UHFFFAOYSA-N 0 3 398.507 3.555 20 10 GHCDHN CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141141436 1023571081 /nfs/dbraw/zinc/57/10/81/1023571081.db2.gz YQQRRQSKTVQYTL-UHFFFAOYSA-N 0 3 393.531 3.923 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000756462084 1023663907 /nfs/dbraw/zinc/66/39/07/1023663907.db2.gz YQAUMOCRAIUEHO-UGSOOPFHSA-N 0 3 388.458 3.970 20 10 GHCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756515037 1023693233 /nfs/dbraw/zinc/69/32/33/1023693233.db2.gz KZKJQXFGLCTUDY-KXBFYZLASA-N 0 3 397.494 3.538 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756594791 1023727748 /nfs/dbraw/zinc/72/77/48/1023727748.db2.gz PDHMJWMPFAJOCW-WSTLGDPDSA-N 0 3 384.495 3.552 20 10 GHCDHN COc1cc2ccnc(NCc3ccc(N4CCN(C)CC4)cc3)c2cc1F ZINC001156658838 1033160769 /nfs/dbraw/zinc/16/07/69/1033160769.db2.gz GXTHIZVSAWYTJJ-UHFFFAOYSA-N 0 3 380.467 3.746 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CN(C(C)(C)C)CCN3)n2)cc1 ZINC001205016806 1033210721 /nfs/dbraw/zinc/21/07/21/1033210721.db2.gz HAIYHBZVNLWSIL-LJQANCHMSA-N 0 3 379.508 3.889 20 10 GHCDHN Cc1c(CN2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c2ccccc2n1C ZINC001138255886 1024481205 /nfs/dbraw/zinc/48/12/05/1024481205.db2.gz WMRDAHIOXIBHIF-SFHVURJKSA-N 0 3 395.547 3.527 20 10 GHCDHN CN1CCCc2cc(CN3CCC4(CC3)c3cccc(F)c3NC4=O)ccc21 ZINC001138357170 1024721572 /nfs/dbraw/zinc/72/15/72/1024721572.db2.gz DQQOWIKDDDYSND-UHFFFAOYSA-N 0 3 379.479 3.694 20 10 GHCDHN CCN(CC)c1ccc(CN(C)CCCNC(=O)OC(C)(C)C)c(OC)c1 ZINC001138386198 1024757718 /nfs/dbraw/zinc/75/77/18/1024757718.db2.gz JEZGKLIMGMLWGY-UHFFFAOYSA-N 0 3 379.545 3.888 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CCC(=O)N3CC3CC3)CC2)c(OC)c1 ZINC001138387446 1024760412 /nfs/dbraw/zinc/76/04/12/1024760412.db2.gz GYBRDFINXMERIZ-UHFFFAOYSA-N 0 3 399.579 3.908 20 10 GHCDHN Cc1ccc2ncc(CNCc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)n2c1 ZINC001461066617 1069373127 /nfs/dbraw/zinc/37/31/27/1069373127.db2.gz JUCFYCFBDSJIPC-CALCHBBNSA-N 0 3 382.483 3.685 20 10 GHCDHN Cc1cc(CN2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1N(C)C ZINC001139674123 1026529271 /nfs/dbraw/zinc/52/92/71/1026529271.db2.gz OMIRYKUPFONXFP-INIZCTEOSA-N 0 3 394.441 3.913 20 10 GHCDHN CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056354 1026837176 /nfs/dbraw/zinc/83/71/76/1026837176.db2.gz SCBVWAPHZORLPJ-UHFFFAOYSA-N 0 3 386.467 3.715 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC001140060478 1026839955 /nfs/dbraw/zinc/83/99/55/1026839955.db2.gz XYEYZXOEZURMKK-UHFFFAOYSA-N 0 3 396.384 3.945 20 10 GHCDHN Cc1nc(CN2CCCC23CC[NH+](Cc2cc(F)ccc2[O-])CC3)cs1 ZINC001140063701 1026844123 /nfs/dbraw/zinc/84/41/23/1026844123.db2.gz WILAOALFRGLSMO-UHFFFAOYSA-N 0 3 375.513 3.927 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203620427 1027481599 /nfs/dbraw/zinc/48/15/99/1027481599.db2.gz FFQOBCOUYALBJK-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203620427 1027481615 /nfs/dbraw/zinc/48/16/15/1027481615.db2.gz FFQOBCOUYALBJK-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001203629923 1027490250 /nfs/dbraw/zinc/49/02/50/1027490250.db2.gz NOQARCGSKLWNRI-QHCPKHFHSA-N 0 3 380.488 3.547 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001203629923 1027490259 /nfs/dbraw/zinc/49/02/59/1027490259.db2.gz NOQARCGSKLWNRI-QHCPKHFHSA-N 0 3 380.488 3.547 20 10 GHCDHN COc1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(O)c1 ZINC001203634959 1027492652 /nfs/dbraw/zinc/49/26/52/1027492652.db2.gz CRNBFYLTVIDTEE-UHFFFAOYSA-N 0 3 382.382 3.622 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC001203943490 1027737330 /nfs/dbraw/zinc/73/73/30/1027737330.db2.gz DSQBSRGNIJRVIV-UHFFFAOYSA-N 0 3 395.547 3.936 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000840895477 1027928750 /nfs/dbraw/zinc/92/87/50/1027928750.db2.gz YLVHXHZGMOLKDF-YWZLYKJASA-N 0 3 390.524 3.639 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c1[O-] ZINC000841763590 1028920096 /nfs/dbraw/zinc/92/00/96/1028920096.db2.gz NYJBJERMIQTFBV-CYBMUJFWSA-N 0 3 386.330 3.681 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC000401138400 1029085340 /nfs/dbraw/zinc/08/53/40/1029085340.db2.gz XDCQEOPTOVWNPC-YESZJQIVSA-N 0 3 376.497 3.526 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CNCc3cnc(N(C)C)n3C)cc2Cl)C1 ZINC000842207288 1029148105 /nfs/dbraw/zinc/14/81/05/1029148105.db2.gz NGSFHEUJMUVPHC-HNNXBMFYSA-N 0 3 375.948 3.666 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000842905036 1029674982 /nfs/dbraw/zinc/67/49/82/1029674982.db2.gz ZIASAJFJVUYZJR-DZGCQCFKSA-N 0 3 379.472 3.808 20 10 GHCDHN COc1cc([O-])c(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1Br ZINC001222167055 1029984749 /nfs/dbraw/zinc/98/47/49/1029984749.db2.gz HGCCHWLAMMHHKE-IBGZPJMESA-N 0 3 397.357 3.909 20 10 GHCDHN C[C@](N)(Cc1ccc(F)cc1)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218956251 1031175643 /nfs/dbraw/zinc/17/56/43/1031175643.db2.gz UNZRVFGSLMRRDC-QHCPKHFHSA-N 0 3 377.463 3.901 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)c1[O-] ZINC001277067182 1031565434 /nfs/dbraw/zinc/56/54/34/1031565434.db2.gz VMHVDPGDXZOQTL-UHFFFAOYSA-N 0 3 380.916 3.525 20 10 GHCDHN [NH3+][C@H](CC(=O)NCC1c2ccccc2CCc2ccccc21)c1ccccc1[O-] ZINC001220657725 1032048902 /nfs/dbraw/zinc/04/89/02/1032048902.db2.gz JJFNYLHVXOGPON-HSZRJFAPSA-N 0 3 386.495 3.829 20 10 GHCDHN [NH3+]C[C@]1(F)CCCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001205592724 1033484040 /nfs/dbraw/zinc/48/40/40/1033484040.db2.gz XOZOCEMTKRESOQ-AWEZNQCLSA-N 0 3 399.226 3.826 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001207370017 1034312267 /nfs/dbraw/zinc/31/22/67/1034312267.db2.gz JFCOUWIZISJLSM-SFHVURJKSA-N 0 3 380.536 3.778 20 10 GHCDHN Cc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)nc1 ZINC001231469392 1034613815 /nfs/dbraw/zinc/61/38/15/1034613815.db2.gz MKHHZHSFXGHCOB-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)nc1 ZINC001231469392 1034613821 /nfs/dbraw/zinc/61/38/21/1034613821.db2.gz MKHHZHSFXGHCOB-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1nccnc1O[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468904 1034614145 /nfs/dbraw/zinc/61/41/45/1034614145.db2.gz ICHMYXDEIHQALK-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468904 1034614154 /nfs/dbraw/zinc/61/41/54/1034614154.db2.gz ICHMYXDEIHQALK-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN COc1ccc(Br)c(CN(C)CCc2ccccc2OC)c1O ZINC001231553758 1034705909 /nfs/dbraw/zinc/70/59/09/1034705909.db2.gz CCDKITSVEQQSQP-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c1 ZINC001231562298 1034712927 /nfs/dbraw/zinc/71/29/27/1034712927.db2.gz HNRULZGCZMFURX-UHFFFAOYSA-N 0 3 386.517 3.640 20 10 GHCDHN O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC001231562298 1034712941 /nfs/dbraw/zinc/71/29/41/1034712941.db2.gz HNRULZGCZMFURX-UHFFFAOYSA-N 0 3 386.517 3.640 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001231587899 1034740892 /nfs/dbraw/zinc/74/08/92/1034740892.db2.gz OQLKKDXRXLDENQ-ODOSVJCGSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001231587899 1034740910 /nfs/dbraw/zinc/74/09/10/1034740910.db2.gz OQLKKDXRXLDENQ-ODOSVJCGSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001231587694 1034742434 /nfs/dbraw/zinc/74/24/34/1034742434.db2.gz XWXNZDSCLIJZPE-PMVMPFDFSA-N 0 3 376.456 3.751 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001231587694 1034742449 /nfs/dbraw/zinc/74/24/49/1034742449.db2.gz XWXNZDSCLIJZPE-PMVMPFDFSA-N 0 3 376.456 3.751 20 10 GHCDHN COCCOc1ccccc1N1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001461917613 1069882386 /nfs/dbraw/zinc/88/23/86/1069882386.db2.gz HXCVJBRPQVDTQM-UHFFFAOYSA-N 0 3 384.520 3.863 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@H]3[C@H](OCc4cccc(C)n4)CC[C@@H]32)c(O)c1 ZINC001231843652 1034937493 /nfs/dbraw/zinc/93/74/93/1034937493.db2.gz CRNMTLVGCKJCQY-MDNUFGMLSA-N 0 3 382.504 3.661 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001231849689 1034940244 /nfs/dbraw/zinc/94/02/44/1034940244.db2.gz WOXYYRWTELWDTA-IAGOWNOFSA-N 0 3 391.556 3.886 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)ccc2ccccc21 ZINC001231878599 1034962695 /nfs/dbraw/zinc/96/26/95/1034962695.db2.gz MPWGNIYMVFTFSV-DEOSSOPVSA-N 0 3 389.499 3.812 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)ccc2ccccc21 ZINC001231878599 1034962698 /nfs/dbraw/zinc/96/26/98/1034962698.db2.gz MPWGNIYMVFTFSV-DEOSSOPVSA-N 0 3 389.499 3.812 20 10 GHCDHN Cc1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])nc(C2CC2)n1 ZINC001160624883 1035019429 /nfs/dbraw/zinc/01/94/29/1035019429.db2.gz UZPPUGHRZNHDCX-NHCUHLMSSA-N 0 3 376.460 3.927 20 10 GHCDHN COCCOc1ccc(N2CCN(CCCCOCc3ccccc3)CC2)cc1 ZINC001209262699 1035226235 /nfs/dbraw/zinc/22/62/35/1035226235.db2.gz GIUQHMAQTYQRAF-UHFFFAOYSA-N 0 3 398.547 3.831 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@H]3CCC[C@H]32)c1O ZINC001248400913 1035813761 /nfs/dbraw/zinc/81/37/61/1035813761.db2.gz FLFHAXGLABVNBI-BXUZGUMPSA-N 0 3 387.261 3.770 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2cc(F)ccc2F)CC1 ZINC001248624689 1036000256 /nfs/dbraw/zinc/00/02/56/1036000256.db2.gz FQPNUNYSPDLFJI-UHFFFAOYSA-N 0 3 377.460 3.621 20 10 GHCDHN C[C@@H]1[C@H](C)N(Cc2ccc(N3CCCCC3)c(Br)c2)CCN1C ZINC001462122989 1070013948 /nfs/dbraw/zinc/01/39/48/1070013948.db2.gz CHGAPIOIHUYQRQ-CVEARBPZSA-N 0 3 380.374 3.964 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1[O-] ZINC001462268326 1070133124 /nfs/dbraw/zinc/13/31/24/1070133124.db2.gz NKIGNNNJZNJQRQ-UHFFFAOYSA-N 0 3 399.329 3.951 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1[O-] ZINC001462268326 1070133131 /nfs/dbraw/zinc/13/31/31/1070133131.db2.gz NKIGNNNJZNJQRQ-UHFFFAOYSA-N 0 3 399.329 3.951 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109111 1038899519 /nfs/dbraw/zinc/89/95/19/1038899519.db2.gz UFCYEMKJGLEYCV-RHSMWYFYSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109111 1038899546 /nfs/dbraw/zinc/89/95/46/1038899546.db2.gz UFCYEMKJGLEYCV-RHSMWYFYSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001233110281 1038900619 /nfs/dbraw/zinc/90/06/19/1038900619.db2.gz JMQVTMVDSYCSQM-MJGOQNOKSA-N 0 3 396.325 3.623 20 10 GHCDHN Cc1cc(Br)cc(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c1[O-] ZINC001233111778 1038903115 /nfs/dbraw/zinc/90/31/15/1038903115.db2.gz XHOQIGFPOHOZPG-UHFFFAOYSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001233111767 1038903447 /nfs/dbraw/zinc/90/34/47/1038903447.db2.gz WXJWQEUWZZVIJY-KRWDZBQOSA-N 0 3 377.282 3.902 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001233194254 1038959850 /nfs/dbraw/zinc/95/98/50/1038959850.db2.gz OFGDIWBVZOLVKD-SFHVURJKSA-N 0 3 382.273 3.994 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001233194254 1038959855 /nfs/dbraw/zinc/95/98/55/1038959855.db2.gz OFGDIWBVZOLVKD-SFHVURJKSA-N 0 3 382.273 3.994 20 10 GHCDHN COC(=O)CC[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1 ZINC001233195445 1038961729 /nfs/dbraw/zinc/96/17/29/1038961729.db2.gz JBVWWFASJZGMOV-UHFFFAOYSA-N 0 3 378.266 3.835 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1 ZINC001233195445 1038961730 /nfs/dbraw/zinc/96/17/30/1038961730.db2.gz JBVWWFASJZGMOV-UHFFFAOYSA-N 0 3 378.266 3.835 20 10 GHCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233197931 1038962957 /nfs/dbraw/zinc/96/29/57/1038962957.db2.gz SHZOSRDMHJRTSE-IAGOWNOFSA-N 0 3 389.293 3.503 20 10 GHCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233197931 1038962961 /nfs/dbraw/zinc/96/29/61/1038962961.db2.gz SHZOSRDMHJRTSE-IAGOWNOFSA-N 0 3 389.293 3.503 20 10 GHCDHN CN(C1CC1)[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196154 1038963722 /nfs/dbraw/zinc/96/37/22/1038963722.db2.gz USQRTVMEVYBOTH-MRXNPFEDSA-N 0 3 375.310 3.976 20 10 GHCDHN CN(C1CC1)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196154 1038963730 /nfs/dbraw/zinc/96/37/30/1038963730.db2.gz USQRTVMEVYBOTH-MRXNPFEDSA-N 0 3 375.310 3.976 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334834 1039134827 /nfs/dbraw/zinc/13/48/27/1039134827.db2.gz VQVSWIGFIGTOTO-XAUMDUMWSA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334834 1039134834 /nfs/dbraw/zinc/13/48/34/1039134834.db2.gz VQVSWIGFIGTOTO-XAUMDUMWSA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334834 1039134847 /nfs/dbraw/zinc/13/48/47/1039134847.db2.gz VQVSWIGFIGTOTO-XAUMDUMWSA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334834 1039134857 /nfs/dbraw/zinc/13/48/57/1039134857.db2.gz VQVSWIGFIGTOTO-XAUMDUMWSA-N 0 3 387.474 3.798 20 10 GHCDHN CC(C)[N@H+](Cc1cc(O)c(O)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001233483118 1039380545 /nfs/dbraw/zinc/38/05/45/1039380545.db2.gz OKBDPJFWKIVKKM-MRXNPFEDSA-N 0 3 394.512 3.803 20 10 GHCDHN CC(C)[N@@H+](Cc1cc(O)c(O)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001233483118 1039380548 /nfs/dbraw/zinc/38/05/48/1039380548.db2.gz OKBDPJFWKIVKKM-MRXNPFEDSA-N 0 3 394.512 3.803 20 10 GHCDHN C[C@@](O)(CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC001253107145 1039428113 /nfs/dbraw/zinc/42/81/13/1039428113.db2.gz LSIPPCBBELFZML-LJQANCHMSA-N 0 3 380.410 3.615 20 10 GHCDHN COc1ccc(O[C@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)nc1 ZINC001233776124 1039607553 /nfs/dbraw/zinc/60/75/53/1039607553.db2.gz KFPPPRRPBVBZNX-HNNXBMFYSA-N 0 3 398.381 3.738 20 10 GHCDHN COc1ccc(O[C@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)nc1 ZINC001233776124 1039607555 /nfs/dbraw/zinc/60/75/55/1039607555.db2.gz KFPPPRRPBVBZNX-HNNXBMFYSA-N 0 3 398.381 3.738 20 10 GHCDHN CCCCC[C@@H](O)CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001253543514 1039698993 /nfs/dbraw/zinc/69/89/93/1039698993.db2.gz DZZPLDQHBRIROD-JOCHJYFZSA-N 0 3 383.536 3.724 20 10 GHCDHN CCC(F)(F)C(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001234468854 1040053661 /nfs/dbraw/zinc/05/36/61/1040053661.db2.gz DEFJJBGUKCJHRE-QGZVFWFLSA-N 0 3 384.515 3.726 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3C[C@@H]4CN(Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001234535638 1040108137 /nfs/dbraw/zinc/10/81/37/1040108137.db2.gz CRJRCCLAFAQFTP-OALUTQOASA-N 0 3 389.499 3.513 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4C[C@H](c5nc(C)no5)O[C@@H]4C3)c2c1 ZINC001234536902 1040110009 /nfs/dbraw/zinc/11/00/09/1040110009.db2.gz SYMVCYWKEQNDBD-IWMITWMQSA-N 0 3 395.459 3.598 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4C[C@H](c5nc(C)no5)O[C@@H]4C3)c2c1 ZINC001234536902 1040110015 /nfs/dbraw/zinc/11/00/15/1040110015.db2.gz SYMVCYWKEQNDBD-IWMITWMQSA-N 0 3 395.459 3.598 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4O[C@@H](c5nc(C)no5)CC[C@H]43)c2c1 ZINC001234536832 1040110493 /nfs/dbraw/zinc/11/04/93/1040110493.db2.gz SJEFOFZWFUKHCA-HMXCVIKNSA-N 0 3 395.459 3.740 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4O[C@@H](c5nc(C)no5)CC[C@H]43)c2c1 ZINC001234536832 1040110494 /nfs/dbraw/zinc/11/04/94/1040110494.db2.gz SJEFOFZWFUKHCA-HMXCVIKNSA-N 0 3 395.459 3.740 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](Oc4cc(C)ncn4)C3)c2c1 ZINC001234568844 1040134835 /nfs/dbraw/zinc/13/48/35/1040134835.db2.gz DNULYAGFVUAKDV-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](Oc4cc(C)ncn4)C3)c2c1 ZINC001234568844 1040134847 /nfs/dbraw/zinc/13/48/47/1040134847.db2.gz DNULYAGFVUAKDV-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H]3C[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001234658080 1040194129 /nfs/dbraw/zinc/19/41/29/1040194129.db2.gz STMDWVFQNUSXEQ-PUZFROQSSA-N 0 3 389.540 3.605 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H]3C[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001234658079 1040194183 /nfs/dbraw/zinc/19/41/83/1040194183.db2.gz STMDWVFQNUSXEQ-KESTWPANSA-N 0 3 389.540 3.605 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1)c1ccncc1 ZINC001234998910 1040495185 /nfs/dbraw/zinc/49/51/85/1040495185.db2.gz PQJUATXVASHCCG-UHFFFAOYSA-N 0 3 387.483 3.849 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235070949 1040561765 /nfs/dbraw/zinc/56/17/65/1040561765.db2.gz FCOJFXNYKUEDOI-CQSZACIVSA-N 0 3 393.247 3.804 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001462483115 1070292706 /nfs/dbraw/zinc/29/27/06/1070292706.db2.gz DUZKIRWTMTXSFM-CQSZACIVSA-N 0 3 385.302 3.562 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c([O-])c1 ZINC001235682202 1041152199 /nfs/dbraw/zinc/15/21/99/1041152199.db2.gz PBILTVGHCLUZAM-QHCPKHFHSA-N 0 3 380.536 3.972 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c([O-])c1 ZINC001235682202 1041152203 /nfs/dbraw/zinc/15/22/03/1041152203.db2.gz PBILTVGHCLUZAM-QHCPKHFHSA-N 0 3 380.536 3.972 20 10 GHCDHN CC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])C1CCNCC1 ZINC001235765256 1041256328 /nfs/dbraw/zinc/25/63/28/1041256328.db2.gz UUCIIHCWGSRQGO-UHFFFAOYSA-N 0 3 381.236 3.747 20 10 GHCDHN CC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])C1CCNCC1 ZINC001235765256 1041256346 /nfs/dbraw/zinc/25/63/46/1041256346.db2.gz UUCIIHCWGSRQGO-UHFFFAOYSA-N 0 3 381.236 3.747 20 10 GHCDHN COC(=O)c1c(CN2CCC(c3ccc(N)cc3)CC2)c2ccccc2n1C ZINC001236334234 1041675709 /nfs/dbraw/zinc/67/57/09/1041675709.db2.gz CQKHRYCKBSYQFX-UHFFFAOYSA-N 0 3 377.488 3.927 20 10 GHCDHN COc1cc(CN2CC[C@H](Oc3ccncc3C)C2)c(O)cc1Br ZINC001236749385 1041871153 /nfs/dbraw/zinc/87/11/53/1041871153.db2.gz BKYMVCGVHNVQNC-AWEZNQCLSA-N 0 3 393.281 3.520 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001236783527 1041889490 /nfs/dbraw/zinc/88/94/90/1041889490.db2.gz UCDMVXQDQCUKFE-HXUWFJFHSA-N 0 3 395.434 3.554 20 10 GHCDHN CCc1ccc(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001236786687 1041892651 /nfs/dbraw/zinc/89/26/51/1041892651.db2.gz GRENSFHZXRNWME-QNWVGRARSA-N 0 3 382.504 3.546 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c([O-])c1 ZINC001236787709 1041892875 /nfs/dbraw/zinc/89/28/75/1041892875.db2.gz NDPAGVPKXFGCGI-OAQYLSRUSA-N 0 3 382.504 3.690 20 10 GHCDHN CCc1ccc(CN2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c(O)c1 ZINC001236788317 1041894094 /nfs/dbraw/zinc/89/40/94/1041894094.db2.gz IVCRGKIAZJTPQI-QHCPKHFHSA-N 0 3 393.487 3.704 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236806883 1041908195 /nfs/dbraw/zinc/90/81/95/1041908195.db2.gz BWXSSVSRBXPDFI-UHFFFAOYSA-N 0 3 378.513 3.836 20 10 GHCDHN CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236832840 1041922249 /nfs/dbraw/zinc/92/22/49/1041922249.db2.gz RFMOQLLVNYPSIR-UHFFFAOYSA-N 0 3 390.531 3.877 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)cc2C1 ZINC001236843616 1041925623 /nfs/dbraw/zinc/92/56/23/1041925623.db2.gz PXLCMYBZZZIKLF-IYBDPMFKSA-N 0 3 388.508 3.754 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)cc2C1 ZINC001236843616 1041925624 /nfs/dbraw/zinc/92/56/24/1041925624.db2.gz PXLCMYBZZZIKLF-IYBDPMFKSA-N 0 3 388.508 3.754 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044017 1042004020 /nfs/dbraw/zinc/00/40/20/1042004020.db2.gz VYGVGYCKQDMYQJ-GGAORHGYSA-N 0 3 398.503 3.636 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c([O-])c1 ZINC001237044017 1042004025 /nfs/dbraw/zinc/00/40/25/1042004025.db2.gz VYGVGYCKQDMYQJ-GGAORHGYSA-N 0 3 398.503 3.636 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237049094 1042007732 /nfs/dbraw/zinc/00/77/32/1042007732.db2.gz DJULADHBCBNPTM-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237049094 1042007740 /nfs/dbraw/zinc/00/77/40/1042007740.db2.gz DJULADHBCBNPTM-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN Cc1nc(CN2C[C@@]3(CC[N@@H+](Cc4ccc(C(C)C)cc4[O-])C3)CC2=O)cs1 ZINC001237049541 1042009631 /nfs/dbraw/zinc/00/96/31/1042009631.db2.gz WKTBKHWVQJGUKU-QFIPXVFZSA-N 0 3 399.560 3.905 20 10 GHCDHN Cc1nc(CN2C[C@@]3(CC[N@H+](Cc4ccc(C(C)C)cc4[O-])C3)CC2=O)cs1 ZINC001237049541 1042009638 /nfs/dbraw/zinc/00/96/38/1042009638.db2.gz WKTBKHWVQJGUKU-QFIPXVFZSA-N 0 3 399.560 3.905 20 10 GHCDHN COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(C(C)C)cc3[O-])CC2)c1 ZINC001237056414 1042013161 /nfs/dbraw/zinc/01/31/61/1042013161.db2.gz YTZKEJFLABMMOP-UHFFFAOYSA-N 0 3 382.504 3.919 20 10 GHCDHN COc1cc(O)c(CN2CCN(C)[C@H](c3ccccc3)C2)c(Br)c1 ZINC001237058369 1042014247 /nfs/dbraw/zinc/01/42/47/1042014247.db2.gz DDPIRRYYBQEYLW-SFHVURJKSA-N 0 3 391.309 3.652 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487666 1042230383 /nfs/dbraw/zinc/23/03/83/1042230383.db2.gz CYOVIQUZIAESFP-BJKOFHAPSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487666 1042230385 /nfs/dbraw/zinc/23/03/85/1042230385.db2.gz CYOVIQUZIAESFP-BJKOFHAPSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001237488535 1042231491 /nfs/dbraw/zinc/23/14/91/1042231491.db2.gz NCMPBZOTPKAMLX-HSZRJFAPSA-N 0 3 382.479 3.854 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001237488535 1042231497 /nfs/dbraw/zinc/23/14/97/1042231497.db2.gz NCMPBZOTPKAMLX-HSZRJFAPSA-N 0 3 382.479 3.854 20 10 GHCDHN COc1ccc(N2CCN(Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)nc1 ZINC001237650360 1042303319 /nfs/dbraw/zinc/30/33/19/1042303319.db2.gz QXAAXZBATIAZAS-UHFFFAOYSA-N 0 3 393.462 3.924 20 10 GHCDHN COc1ccc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])CC2)nc1 ZINC001237650360 1042303328 /nfs/dbraw/zinc/30/33/28/1042303328.db2.gz QXAAXZBATIAZAS-UHFFFAOYSA-N 0 3 393.462 3.924 20 10 GHCDHN Cc1cc([O-])c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1Br ZINC001237682017 1042322486 /nfs/dbraw/zinc/32/24/86/1042322486.db2.gz VUSFISWWQAHJED-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)cc1Br ZINC001237682017 1042322492 /nfs/dbraw/zinc/32/24/92/1042322492.db2.gz VUSFISWWQAHJED-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)c(C)cc1[O-] ZINC001237681068 1042323231 /nfs/dbraw/zinc/32/32/31/1042323231.db2.gz GYGBOLVNQJZFBW-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)c(C)cc1[O-] ZINC001237681068 1042323234 /nfs/dbraw/zinc/32/32/34/1042323234.db2.gz GYGBOLVNQJZFBW-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)c1[O-] ZINC001238065252 1042480489 /nfs/dbraw/zinc/48/04/89/1042480489.db2.gz SRRSPAQHQHIQQS-WBVHZDCISA-N 0 3 396.478 3.915 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)c1[O-] ZINC001238065252 1042480491 /nfs/dbraw/zinc/48/04/91/1042480491.db2.gz SRRSPAQHQHIQQS-WBVHZDCISA-N 0 3 396.478 3.915 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc(-c3ccccc3)s2)N(C)C)cc1 ZINC001463276956 1070957265 /nfs/dbraw/zinc/95/72/65/1070957265.db2.gz BIOCYNMIUGNITQ-IBGZPJMESA-N 0 3 394.544 3.909 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3c2cccc3Cl)N(C)C)cc1 ZINC001463282772 1070961331 /nfs/dbraw/zinc/96/13/31/1070961331.db2.gz PKUAOIKHNGVFCE-TZIWHRDSSA-N 0 3 385.939 3.855 20 10 GHCDHN COc1cc([C@H](C)NC/C=C\c2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC001308553068 1050006972 /nfs/dbraw/zinc/00/69/72/1050006972.db2.gz YUGHPLDLTAFJBK-WLMCBFPDSA-N 0 3 388.533 3.529 20 10 GHCDHN CC[C@H](c1ccccc1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001308563724 1050010621 /nfs/dbraw/zinc/01/06/21/1050010621.db2.gz ALBFQUBHIMILSN-RUZDIDTESA-N 0 3 393.575 3.917 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000757998517 1051788909 /nfs/dbraw/zinc/78/89/09/1051788909.db2.gz NIZPHNYDXOUTAE-WBAXXEDZSA-N 0 3 376.497 3.526 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000757998517 1051788918 /nfs/dbraw/zinc/78/89/18/1051788918.db2.gz NIZPHNYDXOUTAE-WBAXXEDZSA-N 0 3 376.497 3.526 20 10 GHCDHN Cc1cc(C)c(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001312349899 1052707393 /nfs/dbraw/zinc/70/73/93/1052707393.db2.gz GPNVSRCCOZJMEB-HSZRJFAPSA-N 0 3 396.579 3.822 20 10 GHCDHN Cc1cc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c(C)n1-c1ccccc1 ZINC001312649505 1052825930 /nfs/dbraw/zinc/82/59/30/1052825930.db2.gz VUULZFGEXKJQBE-QFIPXVFZSA-N 0 3 380.536 3.910 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1[O-] ZINC000848524977 1057148141 /nfs/dbraw/zinc/14/81/41/1057148141.db2.gz YTOGMWFFCQRVFS-HIFRSBDPSA-N 0 3 394.309 3.665 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1[O-] ZINC000848537825 1057159928 /nfs/dbraw/zinc/15/99/28/1057159928.db2.gz OMUYZQKPXRBMCC-NSHDSACASA-N 0 3 396.329 3.797 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000848545133 1057166480 /nfs/dbraw/zinc/16/64/80/1057166480.db2.gz SJUDAJZBIPCJGB-XJKSGUPXSA-N 0 3 394.309 3.808 20 10 GHCDHN CCOC(CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])OCC ZINC000848546792 1057168116 /nfs/dbraw/zinc/16/81/16/1057168116.db2.gz FOASGHOIYSVCEU-LLVKDONJSA-N 0 3 376.291 3.603 20 10 GHCDHN CCc1cccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)c1O ZINC000848908668 1057412932 /nfs/dbraw/zinc/41/29/32/1057412932.db2.gz AJIBTGGUHBCMLF-NRFANRHFSA-N 0 3 381.520 3.733 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CSc2ccccc2Cl)N(C)C)cc1 ZINC001439959429 1058366010 /nfs/dbraw/zinc/36/60/10/1058366010.db2.gz VQJIQANWTSAAFQ-SFHVURJKSA-N 0 3 391.968 3.917 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3ccccc3c2)N(C)C)cc1 ZINC001439961635 1058368858 /nfs/dbraw/zinc/36/88/58/1058368858.db2.gz RRPDQRSOKUOQJO-HSZRJFAPSA-N 0 3 375.516 3.867 20 10 GHCDHN CN1CCN(c2ccc(CN3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2F)CC1 ZINC001340794793 1060131842 /nfs/dbraw/zinc/13/18/42/1060131842.db2.gz CBTGLGWPOILPIV-ZWKOTPCHSA-N 0 3 386.342 3.593 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1Cc1ccccc1 ZINC001468322074 1067684315 /nfs/dbraw/zinc/68/43/15/1067684315.db2.gz ZMQZNODNIFPDJO-GCJKJVERSA-N 0 3 392.547 3.531 20 10 GHCDHN C=Cc1ccc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001470263673 1068653340 /nfs/dbraw/zinc/65/33/40/1068653340.db2.gz PFBDGGJFIQGABF-QFIPXVFZSA-N 0 3 380.536 3.540 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1OC ZINC001471141235 1072938798 /nfs/dbraw/zinc/93/87/98/1072938798.db2.gz LEUIBQBCWBCMQS-RTWAWAEBSA-N 0 3 398.551 3.814 20 10 GHCDHN CC[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1c1ccccc1 ZINC001473213771 1073864956 /nfs/dbraw/zinc/86/49/56/1073864956.db2.gz PQBYSUPMMLVLQS-OFNKIYASSA-N 0 3 379.548 3.885 20 10 GHCDHN CC[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1OCC(=O)N(C)C ZINC001473940255 1074212417 /nfs/dbraw/zinc/21/24/17/1074212417.db2.gz UVHFGQCJZZSDRW-FQEVSTJZSA-N 0 3 382.504 3.720 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC001474403459 1074389629 /nfs/dbraw/zinc/38/96/29/1074389629.db2.gz KDFPIGNUMGPGKB-NZSAHSFTSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC001474403459 1074389638 /nfs/dbraw/zinc/38/96/38/1074389638.db2.gz KDFPIGNUMGPGKB-NZSAHSFTSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)c1ccc(O)c(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001474612450 1074483887 /nfs/dbraw/zinc/48/38/87/1074483887.db2.gz INAZZIKUSYDNBC-VWNXMTODSA-N 0 3 380.532 3.991 20 10 GHCDHN CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000161539777 837039533 /nfs/dbraw/zinc/03/95/33/837039533.db2.gz GHVYJDHDUVLKBY-IIBYNOLFSA-N 0 3 389.565 3.805 20 10 GHCDHN COc1ccc(CNCc2ccc(C)cc2OC[C@@H]2CCCO2)c(O)c1OC ZINC000893133096 838209643 /nfs/dbraw/zinc/20/96/43/838209643.db2.gz AFPNOIKAUYCZHS-SFHVURJKSA-N 0 3 387.476 3.565 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181526334 838776037 /nfs/dbraw/zinc/77/60/37/838776037.db2.gz VJNQGZYGYVTYOM-CRAIPNDOSA-N 0 3 383.458 3.881 20 10 GHCDHN COc1c([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278838102 840730519 /nfs/dbraw/zinc/73/05/19/840730519.db2.gz JOSGJMDLFUZTNR-YQQQUEKLSA-N 0 3 397.475 3.594 20 10 GHCDHN COC1CCN(C(C)(C)CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000730790792 861283353 /nfs/dbraw/zinc/28/33/53/861283353.db2.gz LTUDJHYZZIQNIU-UHFFFAOYSA-N 0 3 389.565 3.775 20 10 GHCDHN COc1ccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569133 843169697 /nfs/dbraw/zinc/16/96/97/843169697.db2.gz YYRIUFMIVZRPRY-PKOBYXMFSA-N 0 3 375.440 3.901 20 10 GHCDHN COc1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1OC ZINC000893569133 843169706 /nfs/dbraw/zinc/16/97/06/843169706.db2.gz YYRIUFMIVZRPRY-PKOBYXMFSA-N 0 3 375.440 3.901 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000165481995 843520645 /nfs/dbraw/zinc/52/06/45/843520645.db2.gz OZIPHJLQMFTIOC-GJZGRUSLSA-N 0 3 386.471 3.565 20 10 GHCDHN CC[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000728945449 843803100 /nfs/dbraw/zinc/80/31/00/843803100.db2.gz UCEOWPOWGARORF-LPHOPBHVSA-N 0 3 397.519 3.598 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000731364073 861574612 /nfs/dbraw/zinc/57/46/12/861574612.db2.gz KJIUQZFIQJNASX-HXUWFJFHSA-N 0 3 398.526 3.746 20 10 GHCDHN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846362 861903432 /nfs/dbraw/zinc/90/34/32/861903432.db2.gz WZNACXIUJLYGEF-LPHOPBHVSA-N 0 3 387.524 3.541 20 10 GHCDHN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846362 861903438 /nfs/dbraw/zinc/90/34/38/861903438.db2.gz WZNACXIUJLYGEF-LPHOPBHVSA-N 0 3 387.524 3.541 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000732205626 862145845 /nfs/dbraw/zinc/14/58/45/862145845.db2.gz UMEHGHHFLHJARI-FQEVSTJZSA-N 0 3 380.488 3.777 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000732205626 862145853 /nfs/dbraw/zinc/14/58/53/862145853.db2.gz UMEHGHHFLHJARI-FQEVSTJZSA-N 0 3 380.488 3.777 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1 ZINC000766152124 858839002 /nfs/dbraw/zinc/83/90/02/858839002.db2.gz NDZVWOQJANAPAA-ZHRRBRCNSA-N 0 3 378.520 3.632 20 10 GHCDHN COc1cc(Cl)cc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000761215005 859300791 /nfs/dbraw/zinc/30/07/91/859300791.db2.gz GTTCBOVEPHTAOK-CQSZACIVSA-N 0 3 375.774 3.896 20 10 GHCDHN COc1ccccc1OCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764590730 859521376 /nfs/dbraw/zinc/52/13/76/859521376.db2.gz QVFJUSHVBDUVOT-INIZCTEOSA-N 0 3 390.911 3.915 20 10 GHCDHN CCCN(CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccccc1O ZINC000727830549 860283278 /nfs/dbraw/zinc/28/32/78/860283278.db2.gz BGXPZOUBRZQGKY-UHFFFAOYSA-N 0 3 396.531 3.812 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000733800028 863193261 /nfs/dbraw/zinc/19/32/61/863193261.db2.gz BQIJWSUIOFYPFM-QGZVFWFLSA-N 0 3 394.393 3.705 20 10 GHCDHN CCN(CC)C(=O)[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000172086951 863229540 /nfs/dbraw/zinc/22/95/40/863229540.db2.gz ACWDEZPRKJMSLG-QHCPKHFHSA-N 0 3 395.547 3.863 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000734173420 864052911 /nfs/dbraw/zinc/05/29/11/864052911.db2.gz JTPKHZYOBDMYHR-QFIPXVFZSA-N 0 3 380.536 3.559 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000734526351 864277938 /nfs/dbraw/zinc/27/79/38/864277938.db2.gz QGFDXOBOSIOSJI-NRFANRHFSA-N 0 3 380.536 3.525 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3ccnn3CCc3ccccc3)C2)cc1 ZINC000856794733 881747631 /nfs/dbraw/zinc/74/76/31/881747631.db2.gz TZFVKKZGPDQOJE-HXUWFJFHSA-N 0 3 376.504 3.503 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)c(F)c(F)c3F)c2)CC1 ZINC000184269421 864301466 /nfs/dbraw/zinc/30/14/66/864301466.db2.gz MPZRRYYHZFUNTE-UHFFFAOYSA-N 0 3 381.373 3.637 20 10 GHCDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741083403 866228358 /nfs/dbraw/zinc/22/83/58/866228358.db2.gz OCZFQCCWFAPXPH-SFHVURJKSA-N 0 3 398.526 3.698 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)c2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000743315411 868080364 /nfs/dbraw/zinc/08/03/64/868080364.db2.gz UZDKOCFFPFVBHW-UHFFFAOYSA-N 0 3 394.563 3.605 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000743859520 868456737 /nfs/dbraw/zinc/45/67/37/868456737.db2.gz BIYNDXSYHUZZLT-FQEVSTJZSA-N 0 3 397.588 3.825 20 10 GHCDHN CC[N@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000743870770 868468714 /nfs/dbraw/zinc/46/87/14/868468714.db2.gz ALQULCGHUCZCKG-JOCHJYFZSA-N 0 3 382.323 3.784 20 10 GHCDHN CC[N@@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000743870770 868468724 /nfs/dbraw/zinc/46/87/24/868468724.db2.gz ALQULCGHUCZCKG-JOCHJYFZSA-N 0 3 382.323 3.784 20 10 GHCDHN CN(Cc1ccccc1O)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000744401250 868809589 /nfs/dbraw/zinc/80/95/89/868809589.db2.gz BPVJJYUJDHMHLB-QGZVFWFLSA-N 0 3 376.403 3.621 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2c1 ZINC000744438331 868840781 /nfs/dbraw/zinc/84/07/81/868840781.db2.gz FGOBEVONHXFWCI-INIZCTEOSA-N 0 3 386.492 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2c1 ZINC000744438331 868840786 /nfs/dbraw/zinc/84/07/86/868840786.db2.gz FGOBEVONHXFWCI-INIZCTEOSA-N 0 3 386.492 3.995 20 10 GHCDHN Cc1cc(Br)ccc1NC(=O)CNCc1ccc(N(C)C)cc1 ZINC000920957172 882472973 /nfs/dbraw/zinc/47/29/73/882472973.db2.gz MPXFUXMTZQSAOC-UHFFFAOYSA-N 0 3 376.298 3.552 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000069714813 871435335 /nfs/dbraw/zinc/43/53/35/871435335.db2.gz AJMKAXKKNZHPDA-UHFFFAOYSA-N 0 3 380.410 3.840 20 10 GHCDHN CN(C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000101769685 872247857 /nfs/dbraw/zinc/24/78/57/872247857.db2.gz MFAQZGPWXWPHEL-NRFANRHFSA-N 0 3 393.487 4.000 20 10 GHCDHN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182422524 872338297 /nfs/dbraw/zinc/33/82/97/872338297.db2.gz VTCWIHFAROTDOC-KKSFZXQISA-N 0 3 398.503 3.814 20 10 GHCDHN C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443258 873309031 /nfs/dbraw/zinc/30/90/31/873309031.db2.gz CCUPHPBCUKIEAY-OAQYLSRUSA-N 0 3 398.434 3.677 20 10 GHCDHN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443258 873309052 /nfs/dbraw/zinc/30/90/52/873309052.db2.gz CCUPHPBCUKIEAY-OAQYLSRUSA-N 0 3 398.434 3.677 20 10 GHCDHN CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000769401788 874022796 /nfs/dbraw/zinc/02/27/96/874022796.db2.gz PNVWXKHBIPFIIT-NRFANRHFSA-N 0 3 375.532 3.895 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c([O-])c1 ZINC000769515475 874123682 /nfs/dbraw/zinc/12/36/82/874123682.db2.gz TZQYHNZZXQBDSL-SJORKVTESA-N 0 3 376.497 3.765 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c([O-])c1 ZINC000769515475 874123686 /nfs/dbraw/zinc/12/36/86/874123686.db2.gz TZQYHNZZXQBDSL-SJORKVTESA-N 0 3 376.497 3.765 20 10 GHCDHN CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC000769515475 874123692 /nfs/dbraw/zinc/12/36/92/874123692.db2.gz TZQYHNZZXQBDSL-SJORKVTESA-N 0 3 376.497 3.765 20 10 GHCDHN Fc1cc(CN2CC[C@H](OCCCc3ccccc3)C2)ccc1N1CCOCC1 ZINC000769544092 874148065 /nfs/dbraw/zinc/14/80/65/874148065.db2.gz SUBHFZFVWCJZPI-QFIPXVFZSA-N 0 3 398.522 3.886 20 10 GHCDHN Cn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C(C)(C)C)n1 ZINC000769695187 874237129 /nfs/dbraw/zinc/23/71/29/874237129.db2.gz YDOXDLHTRQDQJR-GOSISDBHSA-N 0 3 390.959 3.831 20 10 GHCDHN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834170 874344516 /nfs/dbraw/zinc/34/45/16/874344516.db2.gz KZFZFTUWWYIMCJ-GOSISDBHSA-N 0 3 380.536 3.951 20 10 GHCDHN COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC1CC1 ZINC000858109392 882854620 /nfs/dbraw/zinc/85/46/20/882854620.db2.gz VGRSBWFBKSGXIQ-QGZVFWFLSA-N 0 3 382.504 3.924 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3cc(C)c(Br)cn3)C2)cc1 ZINC000858186836 882920409 /nfs/dbraw/zinc/92/04/09/882920409.db2.gz NEMUHEXNXPYBEG-AWEZNQCLSA-N 0 3 376.298 3.530 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(C)ccc1OC ZINC000772441643 875961382 /nfs/dbraw/zinc/96/13/82/875961382.db2.gz CGMXIVDEQUPXJF-DENIHFKCSA-N 0 3 395.547 3.946 20 10 GHCDHN COc1ccc(C(C)(C)NCc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000858257207 882981680 /nfs/dbraw/zinc/98/16/80/882981680.db2.gz GMIDJBNOJHUEHC-UHFFFAOYSA-N 0 3 376.447 3.835 20 10 GHCDHN CN(C)c1ccc(CNCC2(S(C)(=O)=O)CCCCC2)c(C(F)(F)F)c1 ZINC000850377161 876862658 /nfs/dbraw/zinc/86/26/58/876862658.db2.gz ZTADBSTVEPUROU-UHFFFAOYSA-N 0 3 392.487 3.609 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1[O-] ZINC000850501416 876976185 /nfs/dbraw/zinc/97/61/85/876976185.db2.gz BVTLVLGGPGBRLM-MEECLSRCSA-N 0 3 390.343 3.504 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850557409 877023901 /nfs/dbraw/zinc/02/39/01/877023901.db2.gz NWFHOVVQRNCQFD-CHWSQXEVSA-N 0 3 383.330 3.761 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnn1-c1ccccc1 ZINC000850568027 877035890 /nfs/dbraw/zinc/03/58/90/877035890.db2.gz OBEQHRDDBJQYDE-SFHVURJKSA-N 0 3 376.504 3.684 20 10 GHCDHN CCOC(=O)Nc1ccc2c(CN(C)Cc3ccccc3O)cc(=O)oc2c1 ZINC000109769568 877425530 /nfs/dbraw/zinc/42/55/30/877425530.db2.gz ZIBAONWZQFGXAK-UHFFFAOYSA-N 0 3 382.416 3.699 20 10 GHCDHN CC[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)N1CCc2ccccc2C1 ZINC000746718461 877751371 /nfs/dbraw/zinc/75/13/71/877751371.db2.gz BWADADOOMPWJPO-FQEVSTJZSA-N 0 3 398.526 3.528 20 10 GHCDHN Cc1cccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1O ZINC000179626902 877762875 /nfs/dbraw/zinc/76/28/75/877762875.db2.gz CWPZPFUZRSVQGT-UHFFFAOYSA-N 0 3 398.532 3.563 20 10 GHCDHN O=C1Nc2ccccc2S[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841464 877937669 /nfs/dbraw/zinc/93/76/69/877937669.db2.gz SKCQHYANRATPIH-DYESRHJHSA-N 0 3 398.528 3.876 20 10 GHCDHN O=C1Nc2ccccc2S[C@@H]1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841464 877937674 /nfs/dbraw/zinc/93/76/74/877937674.db2.gz SKCQHYANRATPIH-DYESRHJHSA-N 0 3 398.528 3.876 20 10 GHCDHN CCOc1ccc(O)c(CN(C)[C@@H](CO)c2cccc(Br)c2)c1 ZINC000093815633 912449559 /nfs/dbraw/zinc/44/95/59/912449559.db2.gz PGGUOHNMPVIEPU-KRWDZBQOSA-N 0 3 380.282 3.719 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)c1[O-] ZINC000858480129 883132176 /nfs/dbraw/zinc/13/21/76/883132176.db2.gz LPAXEUJOMSGNCN-ZYHUDNBSSA-N 0 3 393.272 3.543 20 10 GHCDHN Cn1ccnc1[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000183289048 883277433 /nfs/dbraw/zinc/27/74/33/883277433.db2.gz IGLIMIYRNCNMRY-QAPCUYQASA-N 0 3 376.451 3.731 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1[O-] ZINC000859230047 883681246 /nfs/dbraw/zinc/68/12/46/883681246.db2.gz UEROPPJEBMNQPY-BZNIZROVSA-N 0 3 375.266 3.759 20 10 GHCDHN OC1CCN(c2ccc(CN[C@H]3CCc4nc(Cl)ccc43)cc2F)CC1 ZINC000806132936 884351364 /nfs/dbraw/zinc/35/13/64/884351364.db2.gz CUUSJAJSEXFXKO-KRWDZBQOSA-N 0 3 375.875 3.612 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1[O-] ZINC001183874603 912867500 /nfs/dbraw/zinc/86/75/00/912867500.db2.gz BALQORDLXFKTPR-URLYELCFSA-N 0 3 384.314 3.525 20 10 GHCDHN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000862028132 886065107 /nfs/dbraw/zinc/06/51/07/886065107.db2.gz QVNOECLCLIIQBW-IBGZPJMESA-N 0 3 393.462 3.608 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1OC ZINC000808383276 886293622 /nfs/dbraw/zinc/29/36/22/886293622.db2.gz ZNRAVJFVMJUANK-UHFFFAOYSA-N 0 3 384.520 3.511 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(F)c(OC)c3)cc2F)CC1 ZINC000153676657 887274896 /nfs/dbraw/zinc/27/48/96/887274896.db2.gz HBEQRFCLPZSQQV-MRXNPFEDSA-N 0 3 389.490 3.966 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000794573265 887477892 /nfs/dbraw/zinc/47/78/92/887477892.db2.gz VBEUBTQWAZQRKR-QHCPKHFHSA-N 0 3 389.499 3.913 20 10 GHCDHN COc1cc(Br)cc(CN2CCC(c3ccncc3)CC2)c1O ZINC000809730207 887711588 /nfs/dbraw/zinc/71/15/88/887711588.db2.gz DTGNPUPACYJCOM-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000809769990 887758802 /nfs/dbraw/zinc/75/88/02/887758802.db2.gz PEDJQXPGGHVQKP-CQSZACIVSA-N 0 3 375.774 3.896 20 10 GHCDHN COc1cccc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1O ZINC000809739638 887773167 /nfs/dbraw/zinc/77/31/67/887773167.db2.gz AHEZUBQEWFFNJY-KRWDZBQOSA-N 0 3 377.868 3.902 20 10 GHCDHN c1c2c(nn1-c1ccccc1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000794801860 888072259 /nfs/dbraw/zinc/07/22/59/888072259.db2.gz KZBZNYXHXGDOFB-HSZRJFAPSA-N 0 3 388.515 3.876 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1[O-] ZINC000812738213 890919201 /nfs/dbraw/zinc/91/92/01/890919201.db2.gz YZQWMBFELRJPAQ-GFCCVEGCSA-N 0 3 378.314 3.926 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000814176751 892335280 /nfs/dbraw/zinc/33/52/80/892335280.db2.gz UMECANQNDOXGEA-XJKSGUPXSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176751 892335298 /nfs/dbraw/zinc/33/52/98/892335298.db2.gz UMECANQNDOXGEA-XJKSGUPXSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176751 892335316 /nfs/dbraw/zinc/33/53/16/892335316.db2.gz UMECANQNDOXGEA-XJKSGUPXSA-N 0 3 396.915 3.886 20 10 GHCDHN CC1CCN(c2ccc(CNCc3ccc(N4CCC(O)CC4)cc3)cn2)CC1 ZINC000876938773 893394920 /nfs/dbraw/zinc/39/49/20/893394920.db2.gz BHKZAESCCDGLQU-UHFFFAOYSA-N 0 3 394.563 3.569 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3cc(Cl)ccc32)N(C)C)cc1 ZINC001134881605 893472079 /nfs/dbraw/zinc/47/20/79/893472079.db2.gz AWPOYANEIJBWPT-OAQYLSRUSA-N 0 3 396.922 3.987 20 10 GHCDHN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000815154511 893492656 /nfs/dbraw/zinc/49/26/56/893492656.db2.gz DHYYGSKIWXOIND-MGPUTAFESA-N 0 3 387.474 3.873 20 10 GHCDHN CC(C)OC(=O)C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877530188 893668717 /nfs/dbraw/zinc/66/87/17/893668717.db2.gz FIEVDJUPAJWNBS-HSZRJFAPSA-N 0 3 396.531 3.820 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126894001 894009960 /nfs/dbraw/zinc/00/99/60/894009960.db2.gz DFVOOBJTQQBJQE-KRWDZBQOSA-N 0 3 386.515 3.754 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCC4=O)c2)CC1 ZINC000816162114 894534330 /nfs/dbraw/zinc/53/43/30/894534330.db2.gz SMICNKAHGFGTCU-UHFFFAOYSA-N 0 3 377.488 3.600 20 10 GHCDHN O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000816545553 894915164 /nfs/dbraw/zinc/91/51/64/894915164.db2.gz VRJHLRBTBQDAGB-UHFFFAOYSA-N 0 3 388.895 3.642 20 10 GHCDHN NC(=O)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccccc1 ZINC000816653308 894996305 /nfs/dbraw/zinc/99/63/05/894996305.db2.gz NJIXQHRIJCEZST-OAQYLSRUSA-N 0 3 376.456 3.678 20 10 GHCDHN CC(C)CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCN(C)CC1 ZINC000817996369 895981035 /nfs/dbraw/zinc/98/10/35/895981035.db2.gz CBWHSAZLYIUTPU-UHFFFAOYSA-N 0 3 386.565 3.509 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000818219206 896085200 /nfs/dbraw/zinc/08/52/00/896085200.db2.gz AMDAIZALRJMFLW-AWEZNQCLSA-N 0 3 375.856 3.873 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821391175 897859526 /nfs/dbraw/zinc/85/95/26/897859526.db2.gz IOJNIEDFHFMYFJ-QUCCMNQESA-N 0 3 384.476 3.681 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000821391175 897859534 /nfs/dbraw/zinc/85/95/34/897859534.db2.gz IOJNIEDFHFMYFJ-QUCCMNQESA-N 0 3 384.476 3.681 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H]3CCCOc4ccccc43)cc2F)CC1 ZINC000155293626 898571913 /nfs/dbraw/zinc/57/19/13/898571913.db2.gz FNXVOIGOEAYOCQ-NRFANRHFSA-N 0 3 383.511 3.971 20 10 GHCDHN COc1c([O-])c(C[NH2+]Cc2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-] ZINC000774981704 914334247 /nfs/dbraw/zinc/33/42/47/914334247.db2.gz JQPBOKWYVZIQBW-UHFFFAOYSA-N 0 3 379.825 3.862 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000886325718 900935377 /nfs/dbraw/zinc/93/53/77/900935377.db2.gz PEGJTVCPNDJIGZ-UHFFFAOYSA-N 0 3 392.330 3.985 20 10 GHCDHN CC(=O)Oc1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)cc1OC(C)=O ZINC001144280640 901583886 /nfs/dbraw/zinc/58/38/86/901583886.db2.gz UGVQHIIIOKDNEF-UHFFFAOYSA-N 0 3 396.487 3.769 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCc2c(Cl)cccc2N2CCOCC2)c1 ZINC000845970895 902551201 /nfs/dbraw/zinc/55/12/01/902551201.db2.gz FMHKEHWVHNUGEN-CQSZACIVSA-N 0 3 376.884 3.742 20 10 GHCDHN Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000151533861 904150149 /nfs/dbraw/zinc/15/01/49/904150149.db2.gz QVUAFQYCOZBDHY-HNNXBMFYSA-N 0 3 387.455 3.854 20 10 GHCDHN COc1ccc(N2CCC(N[C@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)CC2)cc1 ZINC000365886751 921232886 /nfs/dbraw/zinc/23/28/86/921232886.db2.gz PYSPXAIORSJOKX-MRXNPFEDSA-N 0 3 392.507 3.503 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000179647896 906550625 /nfs/dbraw/zinc/55/06/25/906550625.db2.gz ZEVQOXSXGPVZIZ-NQIIRXRSSA-N 0 3 385.504 3.512 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000179647896 906550641 /nfs/dbraw/zinc/55/06/41/906550641.db2.gz ZEVQOXSXGPVZIZ-NQIIRXRSSA-N 0 3 385.504 3.512 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773450645 907352890 /nfs/dbraw/zinc/35/28/90/907352890.db2.gz RNQDZYOJSBOVJM-NPPFBWRTSA-N 0 3 380.536 3.633 20 10 GHCDHN CCCOc1ccc(CNCC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1C ZINC001179579936 909611429 /nfs/dbraw/zinc/61/14/29/909611429.db2.gz YAHKOEBBFIKQRO-UHFFFAOYSA-N 0 3 382.570 3.514 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268759541 910002613 /nfs/dbraw/zinc/00/26/13/910002613.db2.gz MWLJMHYBHKEEJC-GOSISDBHSA-N 0 3 398.526 3.898 20 10 GHCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H](C)C1 ZINC001181706964 910924133 /nfs/dbraw/zinc/92/41/33/910924133.db2.gz GCMYTPGMCOLURB-INIZCTEOSA-N 0 3 380.374 3.965 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000774484760 911792045 /nfs/dbraw/zinc/79/20/45/911792045.db2.gz SDRPWXHITMNPOH-IAGOWNOFSA-N 0 3 394.519 3.557 20 10 GHCDHN COc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c([O-])c1 ZINC001182891368 912118284 /nfs/dbraw/zinc/11/82/84/912118284.db2.gz JJHXHEFTHXZTQW-SFHVURJKSA-N 0 3 376.497 3.731 20 10 GHCDHN COc1ccc(Cl)cc1NC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001187945586 915636373 /nfs/dbraw/zinc/63/63/73/915636373.db2.gz OIVBJKMRLGPZSA-UHFFFAOYSA-N 0 3 389.883 3.840 20 10 GHCDHN C[C@H](NCC(=O)N(C1CC1)C1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775255867 916662675 /nfs/dbraw/zinc/66/26/75/916662675.db2.gz TUEIJVXQPDSNRZ-LVIWNVNYSA-N 0 3 399.579 3.744 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775259863 916696069 /nfs/dbraw/zinc/69/60/69/916696069.db2.gz ZSJLZLAWIUZPEJ-CQSZACIVSA-N 0 3 391.874 3.605 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000775373777 917240783 /nfs/dbraw/zinc/24/07/83/917240783.db2.gz XBPTXJUJUKKUNN-CQSZACIVSA-N 0 3 398.459 3.732 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccc2OC2CCCC2)c1 ZINC000775372853 917249036 /nfs/dbraw/zinc/24/90/36/917249036.db2.gz KEFJWCNDNAAIMN-MRXNPFEDSA-N 0 3 398.503 3.689 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000796470889 917575440 /nfs/dbraw/zinc/57/54/40/917575440.db2.gz NAIBRTRKYPNUJH-SFHVURJKSA-N 0 3 380.282 3.551 20 10 GHCDHN COc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1O ZINC000113359266 919367923 /nfs/dbraw/zinc/36/79/23/919367923.db2.gz IUGUQFCVRZQGTO-KRWDZBQOSA-N 0 3 376.884 3.514 20 10 GHCDHN O=S(=O)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CCc1ccccc1 ZINC000800310927 919886408 /nfs/dbraw/zinc/88/64/08/919886408.db2.gz IPPWSMPJLOVBGD-UHFFFAOYSA-N 0 3 395.524 3.806 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1[O-] ZINC000800889849 920569333 /nfs/dbraw/zinc/56/93/33/920569333.db2.gz YSOJVAYVYCHBGD-OAHLLOKOSA-N 0 3 378.266 3.647 20 10 GHCDHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000367395614 922080862 /nfs/dbraw/zinc/08/08/62/922080862.db2.gz COHNGZCZRDIMEK-KKSFZXQISA-N 0 3 397.494 3.811 20 10 GHCDHN COc1cc(OC)cc(C2(F)CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000802659984 922320445 /nfs/dbraw/zinc/32/04/45/922320445.db2.gz UDUILGZQVRCKPY-UHFFFAOYSA-N 0 3 389.423 3.599 20 10 GHCDHN Cc1cccc2ncc(C[NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)n21 ZINC000749111214 924028008 /nfs/dbraw/zinc/02/80/08/924028008.db2.gz YLPHNEVBUDBDJI-GOSISDBHSA-N 0 3 384.911 3.756 20 10 GHCDHN Cc1cc(Br)cc(CNCc2cccnc2N2CCCC2)c1O ZINC000826899289 924344853 /nfs/dbraw/zinc/34/48/53/924344853.db2.gz JAPVXKBSTDOZBP-UHFFFAOYSA-N 0 3 376.298 3.748 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2cccnc2N2CCCC2)c1[O-] ZINC000826899289 924344859 /nfs/dbraw/zinc/34/48/59/924344859.db2.gz JAPVXKBSTDOZBP-UHFFFAOYSA-N 0 3 376.298 3.748 20 10 GHCDHN COC1CCN(c2ccc(CN(C)Cc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000827374165 925378118 /nfs/dbraw/zinc/37/81/18/925378118.db2.gz SLRSIRNDJXFJPG-UHFFFAOYSA-N 0 3 382.504 3.705 20 10 GHCDHN O=S(=O)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])Cc1ccccc1 ZINC000725848402 926466527 /nfs/dbraw/zinc/46/65/27/926466527.db2.gz RTFPWVRSJAEJOI-UHFFFAOYSA-N 0 3 381.497 3.764 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000753570147 929423617 /nfs/dbraw/zinc/42/36/17/929423617.db2.gz IJBGZXJOEFSGML-XMMPIXPASA-N 0 3 375.468 3.895 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000753572023 929425373 /nfs/dbraw/zinc/42/53/73/929425373.db2.gz RHBNRWHMVRAILX-UHFFFAOYSA-N 0 3 375.472 3.971 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4nc(C)c(C)s4)CC3)c2c1 ZINC000753971944 929617371 /nfs/dbraw/zinc/61/73/71/929617371.db2.gz KFSJSJRXZSEHHD-UHFFFAOYSA-N 0 3 383.517 3.950 20 10 GHCDHN O=C(NCCCSc1nccs1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000759537636 930396463 /nfs/dbraw/zinc/39/64/63/930396463.db2.gz FNSKFENZCQUFKS-KRWDZBQOSA-N 0 3 390.578 3.762 20 10 GHCDHN O=C(NCCCSc1nccs1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000759581434 930412680 /nfs/dbraw/zinc/41/26/80/930412680.db2.gz RXWCGLGYNYGQDL-QGZVFWFLSA-N 0 3 390.578 3.589 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1coc2ccccc21 ZINC000925056670 931627556 /nfs/dbraw/zinc/62/75/56/931627556.db2.gz ZNARMHXNAXUFFW-MRXNPFEDSA-N 0 3 384.501 3.518 20 10 GHCDHN CN(C)c1ccc([C@H](CN[C@H]2CCCc3n[nH]cc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897369 932102430 /nfs/dbraw/zinc/10/24/30/932102430.db2.gz LRHCJSFYSRPDPW-ICSRJNTNSA-N 0 3 399.539 3.709 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2c1c(F)ccc2[O-] ZINC000797086290 932176817 /nfs/dbraw/zinc/17/68/17/932176817.db2.gz LPLJISJWKOHCEV-ABAIWWIYSA-N 0 3 391.874 3.956 20 10 GHCDHN C[C@@H]([NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cc(F)ccc1[O-] ZINC000926993188 932373651 /nfs/dbraw/zinc/37/36/51/932373651.db2.gz CNVWNDFXUFCDHD-SIIDASKGSA-N 0 3 379.472 3.851 20 10 GHCDHN OC[C@@]1(NCc2ccc(OCc3ccccc3)cc2O)CCOc2ccccc21 ZINC000799736862 933104904 /nfs/dbraw/zinc/10/49/04/933104904.db2.gz JONFZLXIFIIWRA-DEOSSOPVSA-N 0 3 391.467 3.731 20 10 GHCDHN COC(=O)c1ccc(CN(C)Cc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000828123375 935582676 /nfs/dbraw/zinc/58/26/76/935582676.db2.gz UFMZZPPRKYHYHZ-UHFFFAOYSA-N 0 3 382.504 3.720 20 10 GHCDHN COC1CCN(c2ccc(CN3CCCN(c4ncccc4F)CC3)cc2)CC1 ZINC000829113690 935769526 /nfs/dbraw/zinc/76/95/26/935769526.db2.gz MMESKFYPRGARQG-UHFFFAOYSA-N 0 3 398.526 3.548 20 10 GHCDHN Cc1cc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1N1CCCCC1 ZINC000829952456 935885183 /nfs/dbraw/zinc/88/51/83/935885183.db2.gz LURNQGKQUUBRQD-SFHVURJKSA-N 0 3 397.485 3.876 20 10 GHCDHN Cc1cc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1N1CCCCC1 ZINC000829952456 935885187 /nfs/dbraw/zinc/88/51/87/935885187.db2.gz LURNQGKQUUBRQD-SFHVURJKSA-N 0 3 397.485 3.876 20 10 GHCDHN CCOC[C@H]1Cn2nccc2CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204236570 1032680955 /nfs/dbraw/zinc/68/09/55/1032680955.db2.gz AGZYUSFIKRGAQJ-GOSISDBHSA-N 0 3 378.520 3.771 20 10 GHCDHN CCCn1ncc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C1CC1 ZINC000931602073 1018012807 /nfs/dbraw/zinc/01/28/07/1018012807.db2.gz AYINTFHAUNDRGS-HXUWFJFHSA-N 0 3 398.555 3.661 20 10 GHCDHN O=C1N(CC(F)(F)F)CCC12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204329360 1032771462 /nfs/dbraw/zinc/77/14/62/1032771462.db2.gz NXDROXMBFBVPJS-UHFFFAOYSA-N 0 3 395.469 3.664 20 10 GHCDHN O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329668 1032773619 /nfs/dbraw/zinc/77/36/19/1032773619.db2.gz UZHNSTZSUQUEDB-NRFANRHFSA-N 0 3 376.504 3.909 20 10 GHCDHN O=C(NCCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(Br)cc1 ZINC000834558881 1021272202 /nfs/dbraw/zinc/27/22/02/1021272202.db2.gz RGXSKAWDNSXNJB-MRXNPFEDSA-N 0 3 389.293 3.552 20 10 GHCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1c1ccc(OC(F)F)cc1 ZINC000834602321 1021302937 /nfs/dbraw/zinc/30/29/37/1021302937.db2.gz OUMAQPPMZWJCAB-IRXDYDNUSA-N 0 3 388.414 3.766 20 10 GHCDHN C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000834827989 1021523481 /nfs/dbraw/zinc/52/34/81/1021523481.db2.gz NTGBZXNRXJRFBW-BEFAXECRSA-N 0 3 392.902 3.570 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)CC2 ZINC000834901509 1021650501 /nfs/dbraw/zinc/65/05/01/1021650501.db2.gz BCPNUIVXJADEKI-DYVFJYSZSA-N 0 3 394.284 3.722 20 10 GHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1[O-] ZINC000834902746 1021650845 /nfs/dbraw/zinc/65/08/45/1021650845.db2.gz IHTSUYBCLFCZPB-GXTWGEPZSA-N 0 3 382.273 3.796 20 10 GHCDHN CN(C)c1ccc(/C=C/CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000835034970 1021790517 /nfs/dbraw/zinc/79/05/17/1021790517.db2.gz CUZMPYJFWSILSA-OXHGWOFKSA-N 0 3 377.532 3.589 20 10 GHCDHN Cc1ccc(O)c(CN2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC001140621675 1022093632 /nfs/dbraw/zinc/09/36/32/1022093632.db2.gz OWPFPDVXKARFLW-NZQKXSOJSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 ZINC001140623805 1022098642 /nfs/dbraw/zinc/09/86/42/1022098642.db2.gz SGOKHQDYECPLHE-LSDHHAIUSA-N 0 3 388.430 3.978 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(c3ccc(OC)cc3C)CC2)c(O)c1 ZINC001140857000 1022713548 /nfs/dbraw/zinc/71/35/48/1022713548.db2.gz KYBLNRIZPJXDFD-UHFFFAOYSA-N 0 3 383.536 3.878 20 10 GHCDHN COc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000754726504 1022859854 /nfs/dbraw/zinc/85/98/54/1022859854.db2.gz KCIQGTIJSHAMHX-OAHLLOKOSA-N 0 3 378.513 3.797 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c(Cl)c1 ZINC001140921560 1022886288 /nfs/dbraw/zinc/88/62/88/1022886288.db2.gz IBIKWZKHWQOBKW-OSYLJGHBSA-N 0 3 379.932 3.609 20 10 GHCDHN COc1cc(O)c(CN(C)Cc2ccc(Br)c(F)c2)cc1OC ZINC000754858007 1022936591 /nfs/dbraw/zinc/93/65/91/1022936591.db2.gz QJEDVLORWQIJJV-UHFFFAOYSA-N 0 3 384.245 3.943 20 10 GHCDHN Cc1nc2ccc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)cc2s1 ZINC000755194810 1023119678 /nfs/dbraw/zinc/11/96/78/1023119678.db2.gz LVJSNAMJJVAKQW-UHFFFAOYSA-N 0 3 385.508 3.995 20 10 GHCDHN O[C@@]1(C(F)(F)F)CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1F ZINC001141074495 1023433288 /nfs/dbraw/zinc/43/32/88/1023433288.db2.gz JYVRCWHSQOQIHY-HKUYNNGSSA-N 0 3 386.433 3.613 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074998 1023435331 /nfs/dbraw/zinc/43/53/31/1023435331.db2.gz HGOSPHJSIKTWBP-LEWJYISDSA-N 0 3 397.563 3.827 20 10 GHCDHN O=C1c2ccccc2CN1[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141079134 1023445122 /nfs/dbraw/zinc/44/51/22/1023445122.db2.gz UNHLLOOLZBCTLW-QFIPXVFZSA-N 0 3 387.527 3.616 20 10 GHCDHN CN1CCOc2cc(CN3CCC4(CCN(CC5CCCC5)C4=O)CC3)ccc21 ZINC001141142194 1023573777 /nfs/dbraw/zinc/57/37/77/1023573777.db2.gz JDRXEMOHTGMQQV-UHFFFAOYSA-N 0 3 397.563 3.520 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000756483690 1023680257 /nfs/dbraw/zinc/68/02/57/1023680257.db2.gz VGOXPQJZRUECDT-XHDPSFHLSA-N 0 3 383.872 3.797 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C)cc2O)s1 ZINC000756483832 1023680664 /nfs/dbraw/zinc/68/06/64/1023680664.db2.gz SEYFLGPLVUOUEC-CQSZACIVSA-N 0 3 382.551 3.643 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654893 1023756365 /nfs/dbraw/zinc/75/63/65/1023756365.db2.gz MORQABKWOLJDRZ-MIVHDCIWSA-N 0 3 396.531 3.986 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756733354 1023792381 /nfs/dbraw/zinc/79/23/81/1023792381.db2.gz QHTIPTIGXHDDQJ-GNQXEYABSA-N 0 3 380.463 3.826 20 10 GHCDHN Cc1c(CN2CC[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)c2ccccc2n1C ZINC001138254217 1024475767 /nfs/dbraw/zinc/47/57/67/1024475767.db2.gz UBVWMUQCPMCTOU-SFTDATJTSA-N 0 3 399.535 3.697 20 10 GHCDHN C[C@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000838782967 1025363183 /nfs/dbraw/zinc/36/31/83/1025363183.db2.gz GETCGIPODVPIFH-UGKGYDQZSA-N 0 3 396.531 3.799 20 10 GHCDHN C[C@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000838782967 1025363193 /nfs/dbraw/zinc/36/31/93/1025363193.db2.gz GETCGIPODVPIFH-UGKGYDQZSA-N 0 3 396.531 3.799 20 10 GHCDHN Cc1cc(Br)cc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O ZINC000839171975 1025678859 /nfs/dbraw/zinc/67/88/59/1025678859.db2.gz MPPYRILECTUYGJ-XJKSGUPXSA-N 0 3 398.322 3.887 20 10 GHCDHN Cc1cc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc1N(C)C ZINC001139674124 1026529189 /nfs/dbraw/zinc/52/91/89/1026529189.db2.gz OMIRYKUPFONXFP-MRXNPFEDSA-N 0 3 394.441 3.913 20 10 GHCDHN OC1CCN(c2ccc(CNCc3c[nH]nc3-c3ccc(F)cc3)cc2F)CC1 ZINC000098173795 1026745413 /nfs/dbraw/zinc/74/54/13/1026745413.db2.gz LHCDQUXBGJGXNP-UHFFFAOYSA-N 0 3 398.457 3.606 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC001203561790 1027434844 /nfs/dbraw/zinc/43/48/44/1027434844.db2.gz ZJBYTUVWBATLQW-UHFFFAOYSA-N 0 3 378.394 3.805 20 10 GHCDHN CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001203575443 1027445515 /nfs/dbraw/zinc/44/55/15/1027445515.db2.gz OBASRGSFEYDPRK-OXQOHEQNSA-N 0 3 399.362 3.879 20 10 GHCDHN CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001203575443 1027445523 /nfs/dbraw/zinc/44/55/23/1027445523.db2.gz OBASRGSFEYDPRK-OXQOHEQNSA-N 0 3 399.362 3.879 20 10 GHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c1[O-] ZINC001203602310 1027466983 /nfs/dbraw/zinc/46/69/83/1027466983.db2.gz OGSGIDXZMMGGSG-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c1[O-] ZINC001203602310 1027466989 /nfs/dbraw/zinc/46/69/89/1027466989.db2.gz OGSGIDXZMMGGSG-JKSUJKDBSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203620622 1027482324 /nfs/dbraw/zinc/48/23/24/1027482324.db2.gz GMVPLCVMMXOCLM-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203620622 1027482337 /nfs/dbraw/zinc/48/23/37/1027482337.db2.gz GMVPLCVMMXOCLM-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001203650230 1027507632 /nfs/dbraw/zinc/50/76/32/1027507632.db2.gz OUUOJVCYLAVERQ-LPHOPBHVSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001203650230 1027507636 /nfs/dbraw/zinc/50/76/36/1027507636.db2.gz OUUOJVCYLAVERQ-LPHOPBHVSA-N 0 3 387.321 3.861 20 10 GHCDHN Cc1nc(CN2CCC3(CCN(Cc4ccc(N(C)C)cc4)CC3)C2=O)cs1 ZINC001203932091 1027723640 /nfs/dbraw/zinc/72/36/40/1027723640.db2.gz QZSBXYGKSZWXFL-UHFFFAOYSA-N 0 3 398.576 3.532 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c1[O-] ZINC000841690929 1028842589 /nfs/dbraw/zinc/84/25/89/1028842589.db2.gz YKUSFXSAKVBUSB-UHFFFAOYSA-N 0 3 397.393 3.875 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC000842742220 1029551005 /nfs/dbraw/zinc/55/10/05/1029551005.db2.gz LPDGYOJMZADGCM-KRWDZBQOSA-N 0 3 385.382 3.903 20 10 GHCDHN COc1ccc2c(c1O[C@H]1CNCc3ccccc31)C(=O)c1ccccc1C2=O ZINC001218491152 1030958912 /nfs/dbraw/zinc/95/89/12/1030958912.db2.gz WEJIUWBYHAPHAE-FQEVSTJZSA-N 0 3 385.419 3.694 20 10 GHCDHN COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)cc1C ZINC001207395371 1034340033 /nfs/dbraw/zinc/34/00/33/1034340033.db2.gz WQUAUBCTNRPFGE-MRXNPFEDSA-N 0 3 390.867 3.654 20 10 GHCDHN COc1ccc(C2=NO[C@@H](CNCc3cc(Cl)cc(OC)c3O)C2)cc1C ZINC001207395371 1034340050 /nfs/dbraw/zinc/34/00/50/1034340050.db2.gz WQUAUBCTNRPFGE-MRXNPFEDSA-N 0 3 390.867 3.654 20 10 GHCDHN CN1C(=O)CCC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231468939 1034613791 /nfs/dbraw/zinc/61/37/91/1034613791.db2.gz JSCYPDOYBVSSPM-UHFFFAOYSA-N 0 3 380.488 3.558 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001231586616 1034739190 /nfs/dbraw/zinc/73/91/90/1034739190.db2.gz JUTGWYTYAKRCII-QPTUXGOLSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001231586616 1034739204 /nfs/dbraw/zinc/73/92/04/1034739204.db2.gz JUTGWYTYAKRCII-QPTUXGOLSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001231586731 1034740418 /nfs/dbraw/zinc/74/04/18/1034740418.db2.gz FTPOROBMLOCNRS-MBSDFSHPSA-N 0 3 376.456 3.753 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001231586731 1034740434 /nfs/dbraw/zinc/74/04/34/1034740434.db2.gz FTPOROBMLOCNRS-MBSDFSHPSA-N 0 3 376.456 3.753 20 10 GHCDHN Oc1ccc2ccccc2c1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001231587512 1034741022 /nfs/dbraw/zinc/74/10/22/1034741022.db2.gz LZDDAGBCHAGLFQ-GOSISDBHSA-N 0 3 377.488 3.801 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1nccc2ncsc21)c1ccccc1O ZINC001160623912 1035018731 /nfs/dbraw/zinc/01/87/31/1035018731.db2.gz KGHGFECRYDIUEM-QZTJIDSGSA-N 0 3 378.457 3.956 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001461987557 1069930868 /nfs/dbraw/zinc/93/08/68/1069930868.db2.gz AOWNESZGIKGUMD-SNRMKQJTSA-N 0 3 390.524 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC001461987557 1069930871 /nfs/dbraw/zinc/93/08/71/1069930871.db2.gz AOWNESZGIKGUMD-SNRMKQJTSA-N 0 3 390.524 3.834 20 10 GHCDHN COc1cc(I)cc(CN2CC[C@H]3CCC[C@@H]3C2)c1O ZINC001248391315 1035802509 /nfs/dbraw/zinc/80/25/09/1035802509.db2.gz QDWBZOLZWVUMCG-VXGBXAGGSA-N 0 3 387.261 3.627 20 10 GHCDHN COc1cc(I)cc(CN2CC[C@@H]3CCC[C@H]3C2)c1O ZINC001248391314 1035803226 /nfs/dbraw/zinc/80/32/26/1035803226.db2.gz QDWBZOLZWVUMCG-RYUDHWBXSA-N 0 3 387.261 3.627 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014394 1038769071 /nfs/dbraw/zinc/76/90/71/1038769071.db2.gz SLDQHWDJBYGCAX-OAQYLSRUSA-N 0 3 392.496 3.559 20 10 GHCDHN O=C1CCC2(CC[NH+](Cc3c([O-])ccc4cc(Br)ccc43)CC2)O1 ZINC001233196146 1038963143 /nfs/dbraw/zinc/96/31/43/1038963143.db2.gz ULNQSQGYQMXYAD-UHFFFAOYSA-N 0 3 390.277 3.980 20 10 GHCDHN Oc1c(CN2Cc3cncn3C[C@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417169 1039274213 /nfs/dbraw/zinc/27/42/13/1039274213.db2.gz KTARZJXLKBUYPS-OAHLLOKOSA-N 0 3 395.425 3.666 20 10 GHCDHN [O-]c1c(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417169 1039274228 /nfs/dbraw/zinc/27/42/28/1039274228.db2.gz KTARZJXLKBUYPS-OAHLLOKOSA-N 0 3 395.425 3.666 20 10 GHCDHN [O-]c1c(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417169 1039274241 /nfs/dbraw/zinc/27/42/41/1039274241.db2.gz KTARZJXLKBUYPS-OAHLLOKOSA-N 0 3 395.425 3.666 20 10 GHCDHN [O-]c1c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001233418359 1039280383 /nfs/dbraw/zinc/28/03/83/1039280383.db2.gz DAELLXXBNCTJKW-HDICACEKSA-N 0 3 376.422 3.975 20 10 GHCDHN [O-]c1c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001233418359 1039280398 /nfs/dbraw/zinc/28/03/98/1039280398.db2.gz DAELLXXBNCTJKW-HDICACEKSA-N 0 3 376.422 3.975 20 10 GHCDHN C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001233726734 1039569886 /nfs/dbraw/zinc/56/98/86/1039569886.db2.gz GZFUFZFGGMDVLC-HZMBPMFUSA-N 0 3 387.320 3.816 20 10 GHCDHN C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001233726734 1039569895 /nfs/dbraw/zinc/56/98/95/1039569895.db2.gz GZFUFZFGGMDVLC-HZMBPMFUSA-N 0 3 387.320 3.816 20 10 GHCDHN Cc1cc(CNC(=O)N(CCN(C)C)Cc2ccco2)c(C)n1-c1ccccc1 ZINC001234328249 1039969956 /nfs/dbraw/zinc/96/99/56/1039969956.db2.gz UIGMDMNEEWUZSB-UHFFFAOYSA-N 0 3 394.519 3.961 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCc4ncnc(C5CC5)c4CC3)c2c1 ZINC001234544467 1040114701 /nfs/dbraw/zinc/11/47/01/1040114701.db2.gz HNSKPPOBFKPOFZ-UHFFFAOYSA-N 0 3 375.472 3.822 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCc4ncnc(C5CC5)c4CC3)c2c1 ZINC001234544467 1040114712 /nfs/dbraw/zinc/11/47/12/1040114712.db2.gz HNSKPPOBFKPOFZ-UHFFFAOYSA-N 0 3 375.472 3.822 20 10 GHCDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)c1 ZINC001234569713 1040137237 /nfs/dbraw/zinc/13/72/37/1040137237.db2.gz REHVMDMBCOGKPR-SFHVURJKSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)c1 ZINC001234569713 1040137239 /nfs/dbraw/zinc/13/72/39/1040137239.db2.gz REHVMDMBCOGKPR-SFHVURJKSA-N 0 3 380.444 3.611 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)CC1 ZINC001234657792 1040193722 /nfs/dbraw/zinc/19/37/22/1040193722.db2.gz INPQBICGNFJEAJ-OAHLLOKOSA-N 0 3 399.447 3.605 20 10 GHCDHN CC(C)N1CCC[C@@H](Oc2c(O)c(=O)cc3[nH]c(-c4ccccc4)cc(O)c2-3)C1 ZINC001234682273 1040213697 /nfs/dbraw/zinc/21/36/97/1040213697.db2.gz LNRQIGQANIDWNG-MRXNPFEDSA-N 0 3 394.471 3.858 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990429 1040485814 /nfs/dbraw/zinc/48/58/14/1040485814.db2.gz GXILNWHOKGKMKT-RBUKOAKNSA-N 0 3 398.503 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990429 1040485830 /nfs/dbraw/zinc/48/58/30/1040485830.db2.gz GXILNWHOKGKMKT-RBUKOAKNSA-N 0 3 398.503 3.519 20 10 GHCDHN CCC1=NC2(CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)C(=O)N1C ZINC001234999719 1040494388 /nfs/dbraw/zinc/49/43/88/1040494388.db2.gz YDARWAROLSIEML-UHFFFAOYSA-N 0 3 377.488 3.674 20 10 GHCDHN [O-]c1cccc(Br)c1CN1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235076775 1040565970 /nfs/dbraw/zinc/56/59/70/1040565970.db2.gz SFQZWRNWGCBSLI-AWEZNQCLSA-N 0 3 393.247 3.804 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)c1[O-] ZINC001255297170 1040940536 /nfs/dbraw/zinc/94/05/36/1040940536.db2.gz XMUNJYDWYCFGFD-GXTWGEPZSA-N 0 3 383.330 3.762 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c([O-])c1 ZINC001235681730 1041148306 /nfs/dbraw/zinc/14/83/06/1041148306.db2.gz JQZQNWMASQGZPC-PMACEKPBSA-N 0 3 378.516 3.894 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)c([O-])c1 ZINC001235683247 1041152355 /nfs/dbraw/zinc/15/23/55/1041152355.db2.gz STGSFTRAXPTTKN-QHCPKHFHSA-N 0 3 379.504 3.714 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)c([O-])c1 ZINC001235683247 1041152376 /nfs/dbraw/zinc/15/23/76/1041152376.db2.gz STGSFTRAXPTTKN-QHCPKHFHSA-N 0 3 379.504 3.714 20 10 GHCDHN Cc1cc([O-])c(CN(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)cc1Br ZINC001236438811 1041711342 /nfs/dbraw/zinc/71/13/42/1041711342.db2.gz DJEVBGXLAWPZSQ-QGZVFWFLSA-N 0 3 390.325 3.612 20 10 GHCDHN COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c([O-])cc1Br ZINC001236745082 1041870619 /nfs/dbraw/zinc/87/06/19/1041870619.db2.gz MPCPZBYTLUUOHT-UHFFFAOYSA-N 0 3 394.265 3.567 20 10 GHCDHN COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c([O-])cc1Br ZINC001236745082 1041870627 /nfs/dbraw/zinc/87/06/27/1041870627.db2.gz MPCPZBYTLUUOHT-UHFFFAOYSA-N 0 3 394.265 3.567 20 10 GHCDHN COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)c(O)cc1Br ZINC001236745082 1041870635 /nfs/dbraw/zinc/87/06/35/1041870635.db2.gz MPCPZBYTLUUOHT-UHFFFAOYSA-N 0 3 394.265 3.567 20 10 GHCDHN COc1cccc(CC[N@H+](C)Cc2cc(OC)c(Br)cc2[O-])c1 ZINC001236752906 1041873405 /nfs/dbraw/zinc/87/34/05/1041873405.db2.gz IITVEGUVVZRRBB-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1cccc(CC[N@@H+](C)Cc2cc(OC)c(Br)cc2[O-])c1 ZINC001236752906 1041873409 /nfs/dbraw/zinc/87/34/09/1041873409.db2.gz IITVEGUVVZRRBB-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)[C@H](c2ccccc2)C1 ZINC001236754652 1041874267 /nfs/dbraw/zinc/87/42/67/1041874267.db2.gz UFLZPTHMLVUDHM-AEFFLSMTSA-N 0 3 385.460 3.536 20 10 GHCDHN COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236763054 1041877653 /nfs/dbraw/zinc/87/76/53/1041877653.db2.gz VINKBPQXCOCUAC-LBPRGKRZSA-N 0 3 380.282 3.932 20 10 GHCDHN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236763054 1041877657 /nfs/dbraw/zinc/87/76/57/1041877657.db2.gz VINKBPQXCOCUAC-LBPRGKRZSA-N 0 3 380.282 3.932 20 10 GHCDHN COCCCCN1CCN(Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236783860 1041891056 /nfs/dbraw/zinc/89/10/56/1041891056.db2.gz XAWJPKYDPYUNNQ-UHFFFAOYSA-N 0 3 384.520 3.515 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807166 1041907809 /nfs/dbraw/zinc/90/78/09/1041907809.db2.gz CQFVXRHPVWCJGA-JTHBVZDNSA-N 0 3 398.503 3.554 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001236807166 1041907814 /nfs/dbraw/zinc/90/78/14/1041907814.db2.gz CQFVXRHPVWCJGA-JTHBVZDNSA-N 0 3 398.503 3.554 20 10 GHCDHN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001236821043 1041916319 /nfs/dbraw/zinc/91/63/19/1041916319.db2.gz QMBQEMGZJCXIBX-INIZCTEOSA-N 0 3 378.513 3.931 20 10 GHCDHN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001236821043 1041916320 /nfs/dbraw/zinc/91/63/20/1041916320.db2.gz QMBQEMGZJCXIBX-INIZCTEOSA-N 0 3 378.513 3.931 20 10 GHCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236834601 1041923022 /nfs/dbraw/zinc/92/30/22/1041923022.db2.gz AIYMRLZWCBRJRB-XUZZJYLKSA-N 0 3 396.531 3.831 20 10 GHCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)O1 ZINC001236834601 1041923025 /nfs/dbraw/zinc/92/30/25/1041923025.db2.gz AIYMRLZWCBRJRB-XUZZJYLKSA-N 0 3 396.531 3.831 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1C ZINC001237058734 1042014573 /nfs/dbraw/zinc/01/45/73/1042014573.db2.gz BOFUGJYWSYHKQT-KBPBESRZSA-N 0 3 389.414 3.745 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1C ZINC001237058734 1042014580 /nfs/dbraw/zinc/01/45/80/1042014580.db2.gz BOFUGJYWSYHKQT-KBPBESRZSA-N 0 3 389.414 3.745 20 10 GHCDHN O=C([C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1)N1CCCCC1 ZINC001237112042 1042044551 /nfs/dbraw/zinc/04/45/51/1042044551.db2.gz ZCVRIOVOISEFCW-AWEZNQCLSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C([C@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1)N1CCCCC1 ZINC001237112042 1042044554 /nfs/dbraw/zinc/04/45/54/1042044554.db2.gz ZCVRIOVOISEFCW-AWEZNQCLSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C([C@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1)N1CCCCC1 ZINC001237112042 1042044564 /nfs/dbraw/zinc/04/45/64/1042044564.db2.gz ZCVRIOVOISEFCW-AWEZNQCLSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2C1 ZINC001237138411 1042060442 /nfs/dbraw/zinc/06/04/42/1042060442.db2.gz CCDWHZHAEZIKLC-ZSOGYDGISA-N 0 3 382.426 3.538 20 10 GHCDHN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2C1 ZINC001237138411 1042060448 /nfs/dbraw/zinc/06/04/48/1042060448.db2.gz CCDWHZHAEZIKLC-ZSOGYDGISA-N 0 3 382.426 3.538 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4occc4[S-])C3)C2)cc1 ZINC001237177546 1042079892 /nfs/dbraw/zinc/07/98/92/1042079892.db2.gz QONBCMCGTYQGLM-OAQYLSRUSA-N 0 3 388.533 3.696 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4occc4[S-])C3)C2)cc1 ZINC001237177546 1042079899 /nfs/dbraw/zinc/07/98/99/1042079899.db2.gz QONBCMCGTYQGLM-OAQYLSRUSA-N 0 3 388.533 3.696 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684118 1042324732 /nfs/dbraw/zinc/32/47/32/1042324732.db2.gz RNVIBMPZOBBOGR-IBGZPJMESA-N 0 3 395.341 3.830 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684118 1042324737 /nfs/dbraw/zinc/32/47/37/1042324737.db2.gz RNVIBMPZOBBOGR-IBGZPJMESA-N 0 3 395.341 3.830 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1[O-] ZINC001238060715 1042478916 /nfs/dbraw/zinc/47/89/16/1042478916.db2.gz IFWZSUJXJZSCJE-DEOSSOPVSA-N 0 3 396.506 3.897 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c1[O-] ZINC001238060715 1042478918 /nfs/dbraw/zinc/47/89/18/1042478918.db2.gz IFWZSUJXJZSCJE-DEOSSOPVSA-N 0 3 396.506 3.897 20 10 GHCDHN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3cc(F)cc(C)c3[O-])C1)C2 ZINC001238071463 1042481160 /nfs/dbraw/zinc/48/11/60/1042481160.db2.gz XTZHEBCQOMRKLR-WZONZLPQSA-N 0 3 383.463 3.935 20 10 GHCDHN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3cc(F)cc(C)c3[O-])C1)C2 ZINC001238071463 1042481164 /nfs/dbraw/zinc/48/11/64/1042481164.db2.gz XTZHEBCQOMRKLR-WZONZLPQSA-N 0 3 383.463 3.935 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn(Cc3ccccc3)c2)N(C)C)cc1 ZINC001463284548 1070962462 /nfs/dbraw/zinc/96/24/62/1070962462.db2.gz RKNBQQQGFFMHPX-QHCPKHFHSA-N 0 3 390.531 3.635 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2-n2cccc2)N(C)C)cc1 ZINC001289602088 1049556873 /nfs/dbraw/zinc/55/68/73/1049556873.db2.gz KBVJMZXBHQUTEB-JOCHJYFZSA-N 0 3 376.504 3.576 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1 ZINC001308848957 1050123356 /nfs/dbraw/zinc/12/33/56/1050123356.db2.gz KKHRUTYFSCXRLP-SFHVURJKSA-N 0 3 389.337 3.822 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1 ZINC001308848957 1050123358 /nfs/dbraw/zinc/12/33/58/1050123358.db2.gz KKHRUTYFSCXRLP-SFHVURJKSA-N 0 3 389.337 3.822 20 10 GHCDHN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc3c2CCNC3)cs1 ZINC001328444119 1050509445 /nfs/dbraw/zinc/50/94/45/1050509445.db2.gz XAFLVYWOSKHSOR-UHFFFAOYSA-N 0 3 375.497 3.967 20 10 GHCDHN CN1CCN(c2ccc(CNC(C)(C)c3ccc(F)c(F)c3)cc2F)CC1 ZINC001322375011 1056659376 /nfs/dbraw/zinc/65/93/76/1056659376.db2.gz UGAFLCFORMMXJU-UHFFFAOYSA-N 0 3 377.454 3.881 20 10 GHCDHN OC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 ZINC001324378227 1057122733 /nfs/dbraw/zinc/12/27/33/1057122733.db2.gz ZHMCLELFKIDVPO-IBGZPJMESA-N 0 3 375.310 3.873 20 10 GHCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])c1 ZINC000848527631 1057151438 /nfs/dbraw/zinc/15/14/38/1057151438.db2.gz DEACZLXLNBMVIA-ZBEGNZNMSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000848533964 1057155247 /nfs/dbraw/zinc/15/52/47/1057155247.db2.gz OJISGLARUABLEC-RULNZOCKSA-N 0 3 398.322 3.752 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCc2cccc3c2OCCO3)c1O ZINC000848534818 1057157197 /nfs/dbraw/zinc/15/71/97/1057157197.db2.gz VNRLITMTBSKURF-NSHDSACASA-N 0 3 394.265 3.785 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(C)cc2)c1[O-] ZINC000848547640 1057169999 /nfs/dbraw/zinc/16/99/99/1057169999.db2.gz REOGRUPRYKBWKB-CJNGLKHVSA-N 0 3 394.309 3.726 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CSc2ccccc2Cl)N(C)C)cc1 ZINC001439959426 1058365154 /nfs/dbraw/zinc/36/51/54/1058365154.db2.gz VQJIQANWTSAAFQ-GOSISDBHSA-N 0 3 391.968 3.917 20 10 GHCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1Cc1ccccc1 ZINC001468322076 1067684121 /nfs/dbraw/zinc/68/41/21/1067684121.db2.gz ZMQZNODNIFPDJO-XMSQKQJNSA-N 0 3 392.547 3.531 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001470370653 1068705498 /nfs/dbraw/zinc/70/54/98/1068705498.db2.gz LCWOUYLRCVGMPT-VQTJNVASSA-N 0 3 396.579 3.812 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(C(C)(C)C)o2)N(C)C)cc1 ZINC001471087025 1072916945 /nfs/dbraw/zinc/91/69/45/1072916945.db2.gz JWQBBOSGECVGJA-IBGZPJMESA-N 0 3 386.540 3.745 20 10 GHCDHN CCc1ccc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001471543302 1073123351 /nfs/dbraw/zinc/12/33/51/1073123351.db2.gz GQCABJINAMTWGI-QFIPXVFZSA-N 0 3 382.552 3.759 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](C3CCCC3)C2)N(C)C)cc1 ZINC001471546353 1073125809 /nfs/dbraw/zinc/12/58/09/1073125809.db2.gz BDOYJKNSFHBPNF-UNMCSNQZSA-N 0 3 386.584 3.967 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](C3CCC3)CC2)N(C)C)cc1 ZINC001479534618 1079224812 /nfs/dbraw/zinc/22/48/12/1079224812.db2.gz NQYKNAMIHAKSQW-DENIHFKCSA-N 0 3 386.584 3.967 20 10 GHCDHN COc1ccc(N2CCC(N[C@@H](CC(N)=O)c3ccccc3Cl)CC2)cc1 ZINC001474090443 1074260444 /nfs/dbraw/zinc/26/04/44/1074260444.db2.gz IMYSJMMLEHJOQE-FQEVSTJZSA-N 0 3 387.911 3.524 20 10 GHCDHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC001653073518 1126253849 /nfs/dbraw/zinc/25/38/49/1126253849.db2.gz WKBKKOTUPBYBRN-LJQANCHMSA-N 0 3 394.309 3.555 20 10 GHCDHN COc1cc(CNCc2ccc(N(C)C)cc2)cc(Br)c1OC ZINC000122785158 838361164 /nfs/dbraw/zinc/36/11/64/838361164.db2.gz JPMBVGSCTOFNCR-UHFFFAOYSA-N 0 3 379.298 3.822 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1C)C(C)(C)C)cc2=O ZINC000180087531 838509102 /nfs/dbraw/zinc/50/91/02/838509102.db2.gz VXSQLCPJKVXQPD-LJQANCHMSA-N 0 3 396.491 3.797 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000182382305 839052830 /nfs/dbraw/zinc/05/28/30/839052830.db2.gz HEWUQZSQBYJXJK-KRWDZBQOSA-N 0 3 382.504 3.533 20 10 GHCDHN COc1cc(N2CCN(CCCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000759873655 840280409 /nfs/dbraw/zinc/28/04/09/840280409.db2.gz YGLAFBXHJDENGL-UHFFFAOYSA-N 0 3 384.520 3.776 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000162669476 841878781 /nfs/dbraw/zinc/87/87/81/841878781.db2.gz BMBASJYXMZNVHU-LJQANCHMSA-N 0 3 379.460 3.575 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000162669476 841878791 /nfs/dbraw/zinc/87/87/91/841878791.db2.gz BMBASJYXMZNVHU-LJQANCHMSA-N 0 3 379.460 3.575 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000729051644 844701348 /nfs/dbraw/zinc/70/13/48/844701348.db2.gz UNVCMLLPLMBFAN-UTKZUKDTSA-N 0 3 397.519 3.907 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000503399031 847662176 /nfs/dbraw/zinc/66/21/76/847662176.db2.gz JPEDPYLOGVNOBK-IBGZPJMESA-N 0 3 382.483 3.728 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000164236586 853796845 /nfs/dbraw/zinc/79/68/45/853796845.db2.gz FIJMYGYBUWJJDD-HOTGVXAUSA-N 0 3 375.538 3.926 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(CN3CCOCC3)CC1)oc1ccccc12 ZINC000726962206 854312526 /nfs/dbraw/zinc/31/25/26/854312526.db2.gz SNRSDSJYDLZKGR-UHFFFAOYSA-N 0 3 380.488 3.836 20 10 GHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000057106904 855221249 /nfs/dbraw/zinc/22/12/49/855221249.db2.gz DQHFKGIDXULCQQ-UHFFFAOYSA-N 0 3 388.533 3.851 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(COCc2ccccc2)OC)c1[O-] ZINC000702853802 857013556 /nfs/dbraw/zinc/01/35/56/857013556.db2.gz UWMOWNGHOOHYJQ-HXUWFJFHSA-N 0 3 379.884 3.766 20 10 GHCDHN COc1cccc(O)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000733334811 862876392 /nfs/dbraw/zinc/87/63/92/862876392.db2.gz RMTRQKAXXOOGAO-MRXNPFEDSA-N 0 3 376.884 3.514 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214467 859308126 /nfs/dbraw/zinc/30/81/26/859308126.db2.gz BOGPOMVNBKHXEM-STQMWFEESA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214467 859308134 /nfs/dbraw/zinc/30/81/34/859308134.db2.gz BOGPOMVNBKHXEM-STQMWFEESA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(N2CCN([C@H](C)Cc3ccsc3)CC2)cc(OC)c1OC ZINC000761220026 859430242 /nfs/dbraw/zinc/43/02/42/859430242.db2.gz SBPZPGXQIXOJQE-OAHLLOKOSA-N 0 3 376.522 3.527 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1[O-] ZINC000922330064 859617139 /nfs/dbraw/zinc/61/71/39/859617139.db2.gz RXOXWJNXTHAQDC-IAGOWNOFSA-N 0 3 390.524 3.992 20 10 GHCDHN C[C@H](NCc1ccc(-n2cncn2)nc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764956566 859698824 /nfs/dbraw/zinc/69/88/24/859698824.db2.gz SKAHQAOGVAYSNQ-INIZCTEOSA-N 0 3 380.471 3.643 20 10 GHCDHN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)ccc1Br ZINC000765004791 859731942 /nfs/dbraw/zinc/73/19/42/859731942.db2.gz XKQGZLHSZUUSJD-CXAGYDPISA-N 0 3 389.293 3.919 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCOc4ccc(F)cc43)cc2)C1 ZINC000765241900 859860648 /nfs/dbraw/zinc/86/06/48/859860648.db2.gz GSXKSXLHSQUSGX-UTKZUKDTSA-N 0 3 397.494 3.531 20 10 GHCDHN Cn1c(-c2ccccc2)cnc1SC[C@@H](O)CN1CCc2ccccc2C1 ZINC000920090503 881631165 /nfs/dbraw/zinc/63/11/65/881631165.db2.gz QJGMFTPKSKADAO-FQEVSTJZSA-N 0 3 379.529 3.598 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3ccnn3CCc3ccccc3)C2)cc1 ZINC000856794732 881748004 /nfs/dbraw/zinc/74/80/04/881748004.db2.gz TZFVKKZGPDQOJE-FQEVSTJZSA-N 0 3 376.504 3.503 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000067505243 864872011 /nfs/dbraw/zinc/87/20/11/864872011.db2.gz DDAGSDKJVVMSSY-MRXNPFEDSA-N 0 3 375.538 3.755 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184887919 865025954 /nfs/dbraw/zinc/02/59/54/865025954.db2.gz VPHVKBCUSPDMOM-HUUCEWRRSA-N 0 3 394.512 3.974 20 10 GHCDHN CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102177 865279845 /nfs/dbraw/zinc/27/98/45/865279845.db2.gz NOCFMIZHJRXFGC-NHCUHLMSSA-N 0 3 383.540 3.543 20 10 GHCDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000740901873 866092347 /nfs/dbraw/zinc/09/23/47/866092347.db2.gz JZCFNROKKGOUFL-LJQANCHMSA-N 0 3 380.536 3.559 20 10 GHCDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1c1ccccc1 ZINC000741808393 866804952 /nfs/dbraw/zinc/80/49/52/866804952.db2.gz TXCHXYAZFHXNFG-CVDCTZTESA-N 0 3 379.548 3.837 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@H](CN1CCOCC1)c1ccccc1C ZINC000479451373 867783320 /nfs/dbraw/zinc/78/33/20/867783320.db2.gz GDZFZFOYQACVBK-JOCHJYFZSA-N 0 3 377.532 3.958 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743558420 868263790 /nfs/dbraw/zinc/26/37/90/868263790.db2.gz YLJJPLORCMBTTN-FXAWDEMLSA-N 0 3 393.531 3.906 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743558427 868265480 /nfs/dbraw/zinc/26/54/80/868265480.db2.gz YLJJPLORCMBTTN-YLJYHZDGSA-N 0 3 393.531 3.906 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccccc1[O-] ZINC000793572267 882322539 /nfs/dbraw/zinc/32/25/39/882322539.db2.gz XQHWJBZEXOZFMJ-XXBNENTESA-N 0 3 393.487 3.858 20 10 GHCDHN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000857547655 882329801 /nfs/dbraw/zinc/32/98/01/882329801.db2.gz OFNYSWZFGMNPIJ-HNNXBMFYSA-N 0 3 376.859 3.713 20 10 GHCDHN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1Cc1ccccc1 ZINC000745787422 869810113 /nfs/dbraw/zinc/81/01/13/869810113.db2.gz ZOLCEGWBUZFTIJ-GOSISDBHSA-N 0 3 398.526 3.698 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Sc3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000793788798 882412032 /nfs/dbraw/zinc/41/20/32/882412032.db2.gz GMBHSBOMGDIMNS-MAUKXSAKSA-N 0 3 377.893 3.838 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Sc3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000793788798 882412040 /nfs/dbraw/zinc/41/20/40/882412040.db2.gz GMBHSBOMGDIMNS-MAUKXSAKSA-N 0 3 377.893 3.838 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000182355773 872241569 /nfs/dbraw/zinc/24/15/69/872241569.db2.gz MIPYCQZOWNSAFQ-NSHDSACASA-N 0 3 389.502 3.875 20 10 GHCDHN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000182457744 872377936 /nfs/dbraw/zinc/37/79/36/872377936.db2.gz HRUUYWRJAVLKSY-OYHNWAKOSA-N 0 3 386.492 3.574 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1[O-] ZINC000767727671 872792120 /nfs/dbraw/zinc/79/21/20/872792120.db2.gz MNQRPFYXVKUIOR-HNNXBMFYSA-N 0 3 378.266 3.516 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)NCc2cccc(Cl)c2)CC1 ZINC001195999736 872800359 /nfs/dbraw/zinc/80/03/59/872800359.db2.gz NSZSYCBPIQNLJA-UHFFFAOYSA-N 0 3 389.952 3.674 20 10 GHCDHN CN1CCN(c2ccc(CN(Cc3ccco3)Cc3ccc(O)cc3)cc2)CC1 ZINC000775679065 872810400 /nfs/dbraw/zinc/81/04/00/872810400.db2.gz LVXYAUXNTNJBQS-UHFFFAOYSA-N 0 3 391.515 3.939 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000742391695 872911455 /nfs/dbraw/zinc/91/14/55/872911455.db2.gz LMXYPWOFJLUYDX-XWGVYQGASA-N 0 3 389.543 3.924 20 10 GHCDHN CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775731096 873271037 /nfs/dbraw/zinc/27/10/37/873271037.db2.gz HWWPCYGWYOBXDT-QHCPKHFHSA-N 0 3 395.547 3.565 20 10 GHCDHN CN(C)c1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1F ZINC000768425478 873297056 /nfs/dbraw/zinc/29/70/56/873297056.db2.gz YBCSVACVNQZWAM-UHFFFAOYSA-N 0 3 381.495 3.949 20 10 GHCDHN O=C(c1ccc(Cl)cc1)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440996 873305794 /nfs/dbraw/zinc/30/57/94/873305794.db2.gz CCQSJFBFKFSSGT-LJQANCHMSA-N 0 3 387.863 3.566 20 10 GHCDHN COc1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)cc1C ZINC000768463655 873329446 /nfs/dbraw/zinc/32/94/46/873329446.db2.gz KYJHFHREFDWBRX-SJORKVTESA-N 0 3 376.497 3.683 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528000981 873870673 /nfs/dbraw/zinc/87/06/73/873870673.db2.gz TZVVCHQICVFFOH-MEDUHNTESA-N 0 3 375.266 3.677 20 10 GHCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769403873 874024724 /nfs/dbraw/zinc/02/47/24/874024724.db2.gz YJVOZNCUTJGHPS-INIZCTEOSA-N 0 3 389.883 3.908 20 10 GHCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769403873 874024736 /nfs/dbraw/zinc/02/47/36/874024736.db2.gz YJVOZNCUTJGHPS-INIZCTEOSA-N 0 3 389.883 3.908 20 10 GHCDHN CCOc1ccc(C[N@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769529923 874136795 /nfs/dbraw/zinc/13/67/95/874136795.db2.gz IBWRGMPMVNFKLC-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN CCOc1ccc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769529923 874136796 /nfs/dbraw/zinc/13/67/96/874136796.db2.gz IBWRGMPMVNFKLC-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835044 874329965 /nfs/dbraw/zinc/32/99/65/874329965.db2.gz DJGRMWRPNIGROL-KRWDZBQOSA-N 0 3 383.540 3.819 20 10 GHCDHN C[C@H](NCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775833743 874344270 /nfs/dbraw/zinc/34/42/70/874344270.db2.gz LBKCOKPRKZEIHD-INIZCTEOSA-N 0 3 393.453 3.994 20 10 GHCDHN CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000770353412 874639542 /nfs/dbraw/zinc/63/95/42/874639542.db2.gz ZYCWTYQZRMCUER-UHFFFAOYSA-N 0 3 388.533 3.979 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)NCc3ccc(N(C)C)cc3C)c2)CC1 ZINC000771272470 875155520 /nfs/dbraw/zinc/15/55/20/875155520.db2.gz JSBSBOKATXKYTF-UHFFFAOYSA-N 0 3 395.551 3.525 20 10 GHCDHN Cc1c(Br)cncc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850077002 876643261 /nfs/dbraw/zinc/64/32/61/876643261.db2.gz HHHBBTVAKFXESS-OAHLLOKOSA-N 0 3 390.325 3.840 20 10 GHCDHN CCOc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)c1 ZINC000850323969 876811913 /nfs/dbraw/zinc/81/19/13/876811913.db2.gz WLWWHHSPDRQQBO-UHFFFAOYSA-N 0 3 376.447 3.798 20 10 GHCDHN OC1CCN(c2ccc(CNCc3c[nH]nc3-c3c(F)cccc3F)cc2)CC1 ZINC000850405778 876886702 /nfs/dbraw/zinc/88/67/02/876886702.db2.gz DEVRNLYWUCXUDB-UHFFFAOYSA-N 0 3 398.457 3.606 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000850565174 877030719 /nfs/dbraw/zinc/03/07/19/877030719.db2.gz BXOORUWDNNBCEL-SFHVURJKSA-N 0 3 376.504 3.684 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC001137050141 877826164 /nfs/dbraw/zinc/82/61/64/877826164.db2.gz SONYXKMMFAOSEK-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN CCOC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCC1 ZINC000789780796 879272494 /nfs/dbraw/zinc/27/24/94/879272494.db2.gz YEVYSZZPVKTIEQ-UHFFFAOYSA-N 0 3 386.286 3.519 20 10 GHCDHN Cc1cc(O)c(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1C ZINC000789888910 879316308 /nfs/dbraw/zinc/31/63/08/879316308.db2.gz DNJLUOFOTQFTNT-NRFANRHFSA-N 0 3 381.520 3.787 20 10 GHCDHN COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000790652579 879918265 /nfs/dbraw/zinc/91/82/65/879918265.db2.gz KGYRMXBXYJBZIW-KRWDZBQOSA-N 0 3 379.298 3.556 20 10 GHCDHN CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1[O-] ZINC000772797692 881189732 /nfs/dbraw/zinc/18/97/32/881189732.db2.gz IRHLZIZSRSFAGC-UHFFFAOYSA-N 0 3 387.436 3.550 20 10 GHCDHN CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1[O-] ZINC000772797692 881189746 /nfs/dbraw/zinc/18/97/46/881189746.db2.gz IRHLZIZSRSFAGC-UHFFFAOYSA-N 0 3 387.436 3.550 20 10 GHCDHN CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000185171377 883412813 /nfs/dbraw/zinc/41/28/13/883412813.db2.gz LWCMTZQUIIJRCG-HNNXBMFYSA-N 0 3 386.467 3.885 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000897615950 884136085 /nfs/dbraw/zinc/13/60/85/884136085.db2.gz FXFFDWNFSVVVFH-SNVBAGLBSA-N 0 3 387.789 3.853 20 10 GHCDHN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(C)cc1[O-] ZINC000806170708 884393428 /nfs/dbraw/zinc/39/34/28/884393428.db2.gz ZXEXPOHDGHGGAO-WOJBJXKFSA-N 0 3 398.503 3.560 20 10 GHCDHN C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806172705 884394841 /nfs/dbraw/zinc/39/48/41/884394841.db2.gz RKXCWVNUBWBNGB-HRAATJIYSA-N 0 3 389.490 3.755 20 10 GHCDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000806634123 884887375 /nfs/dbraw/zinc/88/73/75/884887375.db2.gz DCJUPFAVBDLSAG-LPHOPBHVSA-N 0 3 384.524 3.591 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000862279573 886274304 /nfs/dbraw/zinc/27/43/04/886274304.db2.gz QTMAUXIILIMRNK-QGZVFWFLSA-N 0 3 382.895 3.743 20 10 GHCDHN CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC000862484821 886404799 /nfs/dbraw/zinc/40/47/99/886404799.db2.gz BJEFYBXQWHFIGZ-UHFFFAOYSA-N 0 3 377.282 3.736 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000808718871 886701929 /nfs/dbraw/zinc/70/19/29/886701929.db2.gz XOHSLQGYMREZGJ-DOTOQJQBSA-N 0 3 388.895 3.685 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1[O-] ZINC000808697606 886716971 /nfs/dbraw/zinc/71/69/71/886716971.db2.gz OSALSOIHUTUBCC-DJPFJPOOSA-N 0 3 388.939 3.888 20 10 GHCDHN C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546698 887205211 /nfs/dbraw/zinc/20/52/11/887205211.db2.gz MYRFRTYDRKSGGT-FXPVBKGRSA-N 0 3 392.135 3.708 20 10 GHCDHN COC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])c1 ZINC000809706072 887724798 /nfs/dbraw/zinc/72/47/98/887724798.db2.gz KBUNKIHJLHPLFD-UHFFFAOYSA-N 0 3 379.254 3.931 20 10 GHCDHN COc1ccc(OCc2ccccn2)c(CNCc2cccc(OC)c2O)c1 ZINC000809740432 887775050 /nfs/dbraw/zinc/77/50/50/887775050.db2.gz YQKPLQULBYZKRH-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])[C@@H]2C1 ZINC000809787488 887839438 /nfs/dbraw/zinc/83/94/38/887839438.db2.gz FSQQQQQRUYHJFR-WWNPGLIZSA-N 0 3 394.515 3.708 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1[O-] ZINC000810178016 888260068 /nfs/dbraw/zinc/26/00/68/888260068.db2.gz IBBPGWQJVLMYDD-OAHLLOKOSA-N 0 3 378.266 3.565 20 10 GHCDHN C[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000794825846 888265562 /nfs/dbraw/zinc/26/55/62/888265562.db2.gz PYKMHXHYMPNPOL-LSDHHAIUSA-N 0 3 397.947 3.740 20 10 GHCDHN CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H]4CN(C)C[C@@H]43)c2C)c1 ZINC000794947679 889019225 /nfs/dbraw/zinc/01/92/25/889019225.db2.gz BSBXIZSXIIEBQQ-UTKZUKDTSA-N 0 3 383.561 3.635 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000795099955 890245166 /nfs/dbraw/zinc/24/51/66/890245166.db2.gz NFAKGNDTBJKYKN-RDTXWAMCSA-N 0 3 392.471 3.565 20 10 GHCDHN CC[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154235230 890685184 /nfs/dbraw/zinc/68/51/84/890685184.db2.gz PXXYLEBAQBRYEE-XZOQPEGZSA-N 0 3 395.547 3.902 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1Cn1cccn1 ZINC000873098681 891470546 /nfs/dbraw/zinc/47/05/46/891470546.db2.gz UGOQKVBRSZQMTO-OQRWROFFSA-N 0 3 383.517 3.528 20 10 GHCDHN CCOc1cccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000813792382 891981774 /nfs/dbraw/zinc/98/17/74/891981774.db2.gz OGWBAVINWMGOBQ-HNNXBMFYSA-N 0 3 384.245 3.516 20 10 GHCDHN CCCC(=O)Nc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876936003 893395101 /nfs/dbraw/zinc/39/51/01/893395101.db2.gz GIVAIESSAKQPHH-UHFFFAOYSA-N 0 3 381.520 3.676 20 10 GHCDHN OC1CCN(c2ccc(CN[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)CC1 ZINC000876979156 893419494 /nfs/dbraw/zinc/41/94/94/893419494.db2.gz VUISKHGXGPCGCO-GOTSBHOMSA-N 0 3 384.495 3.797 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)c(C(F)(F)F)c1 ZINC000876996386 893426018 /nfs/dbraw/zinc/42/60/18/893426018.db2.gz SCGXIWPMZVZBAY-UHFFFAOYSA-N 0 3 394.437 3.965 20 10 GHCDHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000815154509 893490567 /nfs/dbraw/zinc/49/05/67/893490567.db2.gz DHYYGSKIWXOIND-FOIQADDNSA-N 0 3 387.474 3.873 20 10 GHCDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(F)c1Cl ZINC001134882009 893505189 /nfs/dbraw/zinc/50/51/89/893505189.db2.gz JXNBBDVZFLZKKW-QGZVFWFLSA-N 0 3 377.891 3.886 20 10 GHCDHN COc1cc(O)c(CN[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000877664704 893751728 /nfs/dbraw/zinc/75/17/28/893751728.db2.gz WAMAZJWTWOUZEJ-MRXNPFEDSA-N 0 3 398.425 3.821 20 10 GHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c([O-])c1 ZINC000815625879 894057552 /nfs/dbraw/zinc/05/75/52/894057552.db2.gz OWMSMAUGFSDBEG-AWEZNQCLSA-N 0 3 375.900 3.946 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000127567918 894899482 /nfs/dbraw/zinc/89/94/82/894899482.db2.gz DNBTWIKROWGQMK-UHFFFAOYSA-N 0 3 392.547 3.703 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000816668862 895029301 /nfs/dbraw/zinc/02/93/01/895029301.db2.gz ZRHMTNXDIURHHF-UHFFFAOYSA-N 0 3 388.316 3.961 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3nc4cc(Cl)ccc4n3C)C2)cc1 ZINC000818221870 896086485 /nfs/dbraw/zinc/08/64/85/896086485.db2.gz OLHUTAPEQAACHG-OAHLLOKOSA-N 0 3 384.911 3.851 20 10 GHCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3nnn(-c4ccccc4)c3C)C2)cc1 ZINC000818345509 896125995 /nfs/dbraw/zinc/12/59/95/896125995.db2.gz VRSVRQJKVVHXRG-IEBWSBKVSA-N 0 3 391.519 3.761 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@H](O)c3c(F)cccc3F)cc2F)C[C@@H](C)O1 ZINC000818966033 896270956 /nfs/dbraw/zinc/27/09/56/896270956.db2.gz HLMBIIXCPXICQN-JZKQVHKSSA-N 0 3 394.437 3.541 20 10 GHCDHN C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1Cc1ccccc1 ZINC000820417814 897337035 /nfs/dbraw/zinc/33/70/35/897337035.db2.gz JBVBUBOZYPRNSJ-MRXNPFEDSA-N 0 3 379.464 3.586 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000821392415 897859904 /nfs/dbraw/zinc/85/99/04/897859904.db2.gz ZFODNMJDBDSUHU-QUCCMNQESA-N 0 3 388.552 3.658 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000821392415 897859913 /nfs/dbraw/zinc/85/99/13/897859913.db2.gz ZFODNMJDBDSUHU-QUCCMNQESA-N 0 3 388.552 3.658 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1[O-] ZINC000822526298 898411423 /nfs/dbraw/zinc/41/14/23/898411423.db2.gz SBNUEWCCXQHKMZ-SFHVURJKSA-N 0 3 398.341 3.511 20 10 GHCDHN COc1ccc(O)c(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000796307315 914314865 /nfs/dbraw/zinc/31/48/65/914314865.db2.gz KGPYCRPMLYEUBJ-UHFFFAOYSA-N 0 3 377.366 3.895 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000824608396 899717602 /nfs/dbraw/zinc/71/76/02/899717602.db2.gz GQIAGUHZPPZWKA-CYBMUJFWSA-N 0 3 383.330 3.577 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000824608396 899717607 /nfs/dbraw/zinc/71/76/07/899717607.db2.gz GQIAGUHZPPZWKA-CYBMUJFWSA-N 0 3 383.330 3.577 20 10 GHCDHN COc1cc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000824894946 899864749 /nfs/dbraw/zinc/86/47/49/899864749.db2.gz MQXOHGFKXMIWAK-QGZVFWFLSA-N 0 3 375.431 3.834 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3c[nH]c4cc(C)ccc34)CC2)cc1 ZINC001136975700 899914141 /nfs/dbraw/zinc/91/41/41/899914141.db2.gz OOAIDUGEBUDGLA-UHFFFAOYSA-N 0 3 379.504 3.824 20 10 GHCDHN CCOCc1cc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1OC ZINC000825118725 899991494 /nfs/dbraw/zinc/99/14/94/899991494.db2.gz WTFVCYKSOZBHQM-GIVPXCGWSA-N 0 3 387.524 3.715 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3ccc(C(F)(F)F)s3)cc2)CC1 ZINC000886324793 900932977 /nfs/dbraw/zinc/93/29/77/900932977.db2.gz HHAVGMZWKDPALY-UHFFFAOYSA-N 0 3 397.466 3.758 20 10 GHCDHN Cc1oc2ccccc2c1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325016 900933095 /nfs/dbraw/zinc/93/30/95/900933095.db2.gz QFIVQXGPPGQZFF-UHFFFAOYSA-N 0 3 377.488 3.733 20 10 GHCDHN COc1cccc([C@@H](C)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1O ZINC000846148990 902720944 /nfs/dbraw/zinc/72/09/44/902720944.db2.gz VJJMQLPYVMWSKO-QGZVFWFLSA-N 0 3 382.504 3.533 20 10 GHCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1O ZINC000846155663 902725151 /nfs/dbraw/zinc/72/51/51/902725151.db2.gz BXRBUCUTOHVKFC-BZNIZROVSA-N 0 3 378.831 3.649 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000779007715 902725278 /nfs/dbraw/zinc/72/52/78/902725278.db2.gz YXRCFBJGGXROAP-KFWWJZLASA-N 0 3 385.346 3.613 20 10 GHCDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)c2cccc(OC)c2O)c1 ZINC000846169172 902739752 /nfs/dbraw/zinc/73/97/52/902739752.db2.gz PSNUVCLPGAAPME-GFCCVEGCSA-N 0 3 383.897 3.699 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846216139 902791583 /nfs/dbraw/zinc/79/15/83/902791583.db2.gz QACCAAPKOFMSFT-WBMJQRKESA-N 0 3 391.309 3.890 20 10 GHCDHN C[C@@H](O)c1ncc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000290439251 914682772 /nfs/dbraw/zinc/68/27/72/914682772.db2.gz SDVDXLZADFOSNO-CHWSQXEVSA-N 0 3 383.464 3.556 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000779040767 903376128 /nfs/dbraw/zinc/37/61/28/903376128.db2.gz LPNFGQLYGUYJMT-MLGOLLRUSA-N 0 3 382.273 3.856 20 10 GHCDHN O=C(c1cccc(O)c1[O-])N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001148219173 904010417 /nfs/dbraw/zinc/01/04/17/904010417.db2.gz VRYFSROOSBLNKK-UHFFFAOYSA-N 0 3 394.393 3.511 20 10 GHCDHN O=C(c1ccc(Br)cc1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC001173384612 906414218 /nfs/dbraw/zinc/41/42/18/906414218.db2.gz KSOHAJXAEYGECK-UHFFFAOYSA-N 0 3 389.293 3.549 20 10 GHCDHN CCOC(=O)Nc1ccc2c(C[NH2+][C@H](C)c3ccccc3[O-])cc(=O)oc2c1 ZINC001175418411 907541954 /nfs/dbraw/zinc/54/19/54/907541954.db2.gz JDXTUWBLVJUEIO-CYBMUJFWSA-N 0 3 382.416 3.918 20 10 GHCDHN COc1cccc([C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2(C)C)c1 ZINC001175821076 907778081 /nfs/dbraw/zinc/77/80/81/907778081.db2.gz GFZOQONMBANSFI-QFIPXVFZSA-N 0 3 395.547 3.646 20 10 GHCDHN CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000187070791 908031322 /nfs/dbraw/zinc/03/13/22/908031322.db2.gz VFZCTFOAWLGNFZ-GFCCVEGCSA-N 0 3 377.282 3.674 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773624255 908456763 /nfs/dbraw/zinc/45/67/63/908456763.db2.gz MDQDBAPAEAQVSR-BBTUJRGHSA-N 0 3 380.536 3.776 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3ccccc3)[C@@H]3CCCO3)cc2F)CC1 ZINC001177506962 908607168 /nfs/dbraw/zinc/60/71/68/908607168.db2.gz XFVARWZEUPNCKB-GOTSBHOMSA-N 0 3 383.511 3.587 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3ccccc3)[C@@H]3CCCO3)cc2F)CC1 ZINC001177506966 908607258 /nfs/dbraw/zinc/60/72/58/908607258.db2.gz XFVARWZEUPNCKB-XZOQPEGZSA-N 0 3 383.511 3.587 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCNC(=O)C[C@@H]3c3ccccc3)c2c1 ZINC000195088462 908965269 /nfs/dbraw/zinc/96/52/69/908965269.db2.gz ALYLUHHTXRHMLC-OAQYLSRUSA-N 0 3 376.456 3.617 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCNC(=O)C[C@@H]3c3ccccc3)c2c1 ZINC000195088462 908965273 /nfs/dbraw/zinc/96/52/73/908965273.db2.gz ALYLUHHTXRHMLC-OAQYLSRUSA-N 0 3 376.456 3.617 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000795633815 911510704 /nfs/dbraw/zinc/51/07/04/911510704.db2.gz VLDJTVDEVRIYKU-LJQANCHMSA-N 0 3 392.293 3.689 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000795633815 911510714 /nfs/dbraw/zinc/51/07/14/911510714.db2.gz VLDJTVDEVRIYKU-LJQANCHMSA-N 0 3 392.293 3.689 20 10 GHCDHN CCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000284160934 911775100 /nfs/dbraw/zinc/77/51/00/911775100.db2.gz WIGZTZRWRUNXNW-OAHLLOKOSA-N 0 3 377.506 3.825 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000801964542 921695886 /nfs/dbraw/zinc/69/58/86/921695886.db2.gz TUWMLYHHYFGWND-OAQYLSRUSA-N 0 3 381.520 3.978 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c2cc(F)ccc2n1C ZINC001182917865 912146893 /nfs/dbraw/zinc/14/68/93/912146893.db2.gz DFIZQTFAYMGLKZ-YWZLYKJASA-N 0 3 388.483 3.885 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC(C)(C)C)c1ccccc1)cc2=O ZINC000775133765 915397765 /nfs/dbraw/zinc/39/77/65/915397765.db2.gz YRNOXZAOVQSBQV-GOSISDBHSA-N 0 3 396.491 3.879 20 10 GHCDHN COC1CCN(c2ccc(CN3CCC(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC000297081044 919042996 /nfs/dbraw/zinc/04/29/96/919042996.db2.gz JXCLPRSPIZFNCU-UHFFFAOYSA-N 0 3 388.552 3.856 20 10 GHCDHN CC1(C)OCc2cc(CNCc3ccc(N4CCC(O)CC4)cc3)ccc2O1 ZINC000827662015 925914898 /nfs/dbraw/zinc/91/48/98/925914898.db2.gz KUAWKVUDBIXESF-UHFFFAOYSA-N 0 3 382.504 3.583 20 10 GHCDHN c1ccc2c(c1)C=CC1(CCN(Cc3ccc(N4CCOCC4)cc3)CC1)O2 ZINC000827762902 925950462 /nfs/dbraw/zinc/95/04/62/925950462.db2.gz YDFSNHBGIKDSTM-UHFFFAOYSA-N 0 3 376.500 3.964 20 10 GHCDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1(C)C ZINC000827821346 926055887 /nfs/dbraw/zinc/05/58/87/926055887.db2.gz WCEVWHZRNUWUMG-OFNKIYASSA-N 0 3 387.568 3.604 20 10 GHCDHN O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753544292 929401353 /nfs/dbraw/zinc/40/13/53/929401353.db2.gz WEZMGODUOQIDQI-NRFANRHFSA-N 0 3 394.515 3.948 20 10 GHCDHN O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753544292 929401361 /nfs/dbraw/zinc/40/13/61/929401361.db2.gz WEZMGODUOQIDQI-NRFANRHFSA-N 0 3 394.515 3.948 20 10 GHCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000759757669 930479183 /nfs/dbraw/zinc/47/91/83/930479183.db2.gz UYLKCCSUZPPVST-GOSISDBHSA-N 0 3 378.266 3.693 20 10 GHCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000759757669 930479186 /nfs/dbraw/zinc/47/91/86/930479186.db2.gz UYLKCCSUZPPVST-GOSISDBHSA-N 0 3 378.266 3.693 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1CC1CCC1 ZINC000924762260 931528333 /nfs/dbraw/zinc/52/83/33/931528333.db2.gz ZECQAPXREHSSCV-SFHVURJKSA-N 0 3 382.552 3.743 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CCc4cc(F)c(F)c(F)c43)cc2F)CC1 ZINC001117789811 934024806 /nfs/dbraw/zinc/02/48/06/934024806.db2.gz ODNLXCSQLQLKRE-KRWDZBQOSA-N 0 3 393.428 3.772 20 10 GHCDHN Cc1cc(CN2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)ccc1N(C)C ZINC001139670932 935556012 /nfs/dbraw/zinc/55/60/12/935556012.db2.gz GICZTFLDGMAUNX-SIKLNZKXSA-N 0 3 381.495 3.547 20 10 GHCDHN Cc1cc(CN2CCC(NC(=O)N3CCCC3)CC2)c(C)n1-c1ccccc1 ZINC001137859321 935829832 /nfs/dbraw/zinc/82/98/32/935829832.db2.gz TWFIFJSQYFYUSJ-UHFFFAOYSA-N 0 3 380.536 3.864 20 10 GHCDHN O=C(c1cccc(F)c1)N1CC[C@H]2CN(Cc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC001204321288 1032764760 /nfs/dbraw/zinc/76/47/60/1032764760.db2.gz BRDAFVOXFFMICQ-NZQKXSOJSA-N 0 3 393.506 3.772 20 10 GHCDHN COC(=O)c1cccc(CN(C)Cc2cc(Br)cc(OC)c2O)c1 ZINC001204342630 1032782792 /nfs/dbraw/zinc/78/27/92/1032782792.db2.gz SWHKVLYLPBJWSJ-UHFFFAOYSA-N 0 3 394.265 3.582 20 10 GHCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1cccc(Br)c1 ZINC000834786914 1021474307 /nfs/dbraw/zinc/47/43/07/1021474307.db2.gz DSZRFLNXUANERO-HOTGVXAUSA-N 0 3 387.277 3.537 20 10 GHCDHN CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000834886117 1021616924 /nfs/dbraw/zinc/61/69/24/1021616924.db2.gz ICIXFEJCWLWTDG-QGZVFWFLSA-N 0 3 381.520 3.974 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1[O-] ZINC000834909499 1021668133 /nfs/dbraw/zinc/66/81/33/1021668133.db2.gz AEOHDCHMABGAQL-AAEUAGOBSA-N 0 3 392.297 3.844 20 10 GHCDHN COc1cc2c(c(OC)c1OC)CCN(C/C=C\c1ccc(N(C)C)cc1)CC2 ZINC001204674755 1033025369 /nfs/dbraw/zinc/02/53/69/1033025369.db2.gz WYOVRVYGAKBWLE-SREVYHEPSA-N 0 3 396.531 3.892 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC(n2cnc3ccccc32)CC1 ZINC001140667260 1022218324 /nfs/dbraw/zinc/21/83/24/1022218324.db2.gz MSOKQBMDSUJXDQ-UHFFFAOYSA-N 0 3 394.494 3.849 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c(Cl)c1 ZINC001140924443 1022901417 /nfs/dbraw/zinc/90/14/17/1022901417.db2.gz OZUHTOARGJUBDK-LJQANCHMSA-N 0 3 378.944 3.956 20 10 GHCDHN Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(C)cc3[O-])O2)cs1 ZINC001140950070 1022970793 /nfs/dbraw/zinc/97/07/93/1022970793.db2.gz LOUPPKKRVQOQIT-QKNQBKEWSA-N 0 3 388.533 3.804 20 10 GHCDHN Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(C)cc3[O-])O2)cs1 ZINC001140950070 1022970795 /nfs/dbraw/zinc/97/07/95/1022970795.db2.gz LOUPPKKRVQOQIT-QKNQBKEWSA-N 0 3 388.533 3.804 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)c([O-])c1 ZINC001140952515 1022981732 /nfs/dbraw/zinc/98/17/32/1022981732.db2.gz VJLDNAQXEIOVQD-ZJSXRUAMSA-N 0 3 394.515 3.644 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)c([O-])c1 ZINC001140952515 1022981736 /nfs/dbraw/zinc/98/17/36/1022981736.db2.gz VJLDNAQXEIOVQD-ZJSXRUAMSA-N 0 3 394.515 3.644 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032715 1023300053 /nfs/dbraw/zinc/30/00/53/1023300053.db2.gz NGTFWXWDNQUGQP-OAHLLOKOSA-N 0 3 394.512 3.629 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032715 1023300063 /nfs/dbraw/zinc/30/00/63/1023300063.db2.gz NGTFWXWDNQUGQP-OAHLLOKOSA-N 0 3 394.512 3.629 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cnccc4C)C3)C2)cc1 ZINC001141033382 1023314577 /nfs/dbraw/zinc/31/45/77/1023314577.db2.gz MIOUXZXFOGRCFF-HSZRJFAPSA-N 0 3 381.520 3.518 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075703 1023437063 /nfs/dbraw/zinc/43/70/63/1023437063.db2.gz XJWZGCQVLQUTJQ-SFTDATJTSA-N 0 3 397.563 3.969 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c2c1c(F)ccc2[O-] ZINC000756591947 1023725941 /nfs/dbraw/zinc/72/59/41/1023725941.db2.gz HJIKUZYIEHPSSZ-HQQWDMGQSA-N 0 3 393.842 3.827 20 10 GHCDHN COc1ccc([C@H](C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)N(C)C)cc1OC ZINC000756665955 1023764783 /nfs/dbraw/zinc/76/47/83/1023764783.db2.gz XJPGAISLZNDBRR-JQFCIGGWSA-N 0 3 388.483 3.989 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000756851963 1023835082 /nfs/dbraw/zinc/83/50/82/1023835082.db2.gz WIYZMXNHIBLTEQ-OAHLLOKOSA-N 0 3 386.517 3.901 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001138390117 1024765715 /nfs/dbraw/zinc/76/57/15/1024765715.db2.gz XOYVKVBSZHCDOF-QHCPKHFHSA-N 0 3 387.568 3.764 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(N(C)C(=O)C(C)C)CC2)c(OC)c1 ZINC001138391510 1024767276 /nfs/dbraw/zinc/76/72/76/1024767276.db2.gz FFVUIIBJLDWECG-UHFFFAOYSA-N 0 3 375.557 3.620 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CC(=O)N(C(C)C)C3)CC2)c(OC)c1 ZINC001138392291 1024768853 /nfs/dbraw/zinc/76/88/53/1024768853.db2.gz UPYCUWSEWAUDFI-UHFFFAOYSA-N 0 3 387.568 3.764 20 10 GHCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCC(O)CC1 ZINC001138762039 1025318732 /nfs/dbraw/zinc/31/87/32/1025318732.db2.gz IMDNRJIAQCYMFF-UHFFFAOYSA-N 0 3 379.548 3.880 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(OC)c3OC(C)C)c2)CC1 ZINC000832345431 1025463489 /nfs/dbraw/zinc/46/34/89/1025463489.db2.gz HNKYTCSPPRNBCH-UHFFFAOYSA-N 0 3 397.519 3.877 20 10 GHCDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146459 1025641749 /nfs/dbraw/zinc/64/17/49/1025641749.db2.gz IMUYECJKPZXRIQ-HWKANZROSA-N 0 3 389.402 3.513 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140101559 1026881459 /nfs/dbraw/zinc/88/14/59/1026881459.db2.gz XUWOGYDXVWEUIY-QFBILLFUSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140101559 1026881464 /nfs/dbraw/zinc/88/14/64/1026881464.db2.gz XUWOGYDXVWEUIY-QFBILLFUSA-N 0 3 387.321 3.861 20 10 GHCDHN Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203551665 1027430006 /nfs/dbraw/zinc/43/00/06/1027430006.db2.gz JUTOALWOJUHXDV-XMMPIXPASA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203551665 1027430014 /nfs/dbraw/zinc/43/00/14/1027430014.db2.gz JUTOALWOJUHXDV-XMMPIXPASA-N 0 3 387.483 3.832 20 10 GHCDHN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203634834 1027492784 /nfs/dbraw/zinc/49/27/84/1027492784.db2.gz XGUDNBUBLQRAEQ-DLVCFXQMSA-N 0 3 395.540 3.994 20 10 GHCDHN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203634834 1027492789 /nfs/dbraw/zinc/49/27/89/1027492789.db2.gz XGUDNBUBLQRAEQ-DLVCFXQMSA-N 0 3 395.540 3.994 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001203937365 1027730631 /nfs/dbraw/zinc/73/06/31/1027730631.db2.gz WYOKNEBSVNHCAJ-FQEVSTJZSA-N 0 3 391.556 3.601 20 10 GHCDHN COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000840809298 1027848420 /nfs/dbraw/zinc/84/84/20/1027848420.db2.gz QEQCRSABTCCSNL-HIFRSBDPSA-N 0 3 394.309 3.898 20 10 GHCDHN COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000840809296 1027848998 /nfs/dbraw/zinc/84/89/98/1027848998.db2.gz QEQCRSABTCCSNL-DZGCQCFKSA-N 0 3 394.309 3.898 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1[O-] ZINC000840956259 1027985277 /nfs/dbraw/zinc/98/52/77/1027985277.db2.gz NKOVAHJHALHSDL-QAPCUYQASA-N 0 3 378.266 3.565 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1[O-] ZINC000840960702 1027991834 /nfs/dbraw/zinc/99/18/34/1027991834.db2.gz LVWXHXZCRVXMOS-INIZCTEOSA-N 0 3 393.281 3.673 20 10 GHCDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N)cc1 ZINC000841301709 1028392871 /nfs/dbraw/zinc/39/28/71/1028392871.db2.gz WMUXRTBRNYPWLR-UHFFFAOYSA-N 0 3 380.414 3.883 20 10 GHCDHN CCCOc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001215945702 1029466789 /nfs/dbraw/zinc/46/67/89/1029466789.db2.gz CJDPAKZMQNIBDZ-OAQYLSRUSA-N 0 3 384.524 3.966 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C3CCC3)cn2)N(C)C)cc1 ZINC001218925862 1031154989 /nfs/dbraw/zinc/15/49/89/1031154989.db2.gz YQFUFRWSXMZNFC-FQEVSTJZSA-N 0 3 381.524 3.840 20 10 GHCDHN COc1cc(C)cc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC001205766903 1033564980 /nfs/dbraw/zinc/56/49/80/1033564980.db2.gz RLHRHZXCVUZAQN-NRFANRHFSA-N 0 3 376.497 3.685 20 10 GHCDHN CCOc1ccc(C[C@H](N)C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)cc1 ZINC001157433661 1033584210 /nfs/dbraw/zinc/58/42/10/1033584210.db2.gz KCZFDCJZZKQCPS-UGKGYDQZSA-N 0 3 396.531 3.717 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(C)cc1[O-] ZINC001277427076 1033766321 /nfs/dbraw/zinc/76/63/21/1033766321.db2.gz ODQPOPCFGDMQON-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(C)cc1[O-] ZINC001277427076 1033766332 /nfs/dbraw/zinc/76/63/32/1033766332.db2.gz ODQPOPCFGDMQON-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001206584035 1033915166 /nfs/dbraw/zinc/91/51/66/1033915166.db2.gz BPMXLVGBXBBOFT-KRWDZBQOSA-N 0 3 389.337 3.904 20 10 GHCDHN C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001206584035 1033915170 /nfs/dbraw/zinc/91/51/70/1033915170.db2.gz BPMXLVGBXBBOFT-KRWDZBQOSA-N 0 3 389.337 3.904 20 10 GHCDHN COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001206856622 1034036308 /nfs/dbraw/zinc/03/63/08/1034036308.db2.gz PWHANVBPPGTOGG-LJQANCHMSA-N 0 3 394.309 3.555 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001231469989 1034615433 /nfs/dbraw/zinc/61/54/33/1034615433.db2.gz ZPNFMSMSVMOLEG-OAQYLSRUSA-N 0 3 391.471 3.805 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001231469989 1034615436 /nfs/dbraw/zinc/61/54/36/1034615436.db2.gz ZPNFMSMSVMOLEG-OAQYLSRUSA-N 0 3 391.471 3.805 20 10 GHCDHN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2c([O-])ccc4ccccc42)CC3)cn1 ZINC001231586987 1034739676 /nfs/dbraw/zinc/73/96/76/1034739676.db2.gz OKQBAZKPSDXJSA-SFHVURJKSA-N 0 3 377.488 3.818 20 10 GHCDHN CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231587426 1034740205 /nfs/dbraw/zinc/74/02/05/1034740205.db2.gz CMHBZQKFPZGIIN-JOCHJYFZSA-N 0 3 396.531 3.689 20 10 GHCDHN Cc1cccc(CN2CCN(Cc3cccc(Br)c3)CC2)c1O ZINC001231592325 1034745297 /nfs/dbraw/zinc/74/52/97/1034745297.db2.gz JVGUULDUSRSFOW-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001231853726 1034944349 /nfs/dbraw/zinc/94/43/49/1034944349.db2.gz PDFFMCQQHKCXJR-QGZVFWFLSA-N 0 3 377.529 3.640 20 10 GHCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)c(Br)c2)[C@@H]1OC ZINC001462062865 1069974448 /nfs/dbraw/zinc/97/44/48/1069974448.db2.gz UYACYYJDOPZMJK-QRQLOZEOSA-N 0 3 397.357 3.721 20 10 GHCDHN O=C1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CN1C1CCCCC1 ZINC001462063478 1069975166 /nfs/dbraw/zinc/97/51/66/1069975166.db2.gz OAYZYDBTSHWVJR-HXUWFJFHSA-N 0 3 394.515 3.994 20 10 GHCDHN O=C1OCCC12CC[NH+](Cc1c([O-])ccc3cc(Br)ccc31)CC2 ZINC001233195375 1038961229 /nfs/dbraw/zinc/96/12/29/1038961229.db2.gz GPNLARNGXDFPRG-UHFFFAOYSA-N 0 3 390.277 3.837 20 10 GHCDHN O=C1CC[C@]2(CCC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)O1 ZINC001233194994 1038962168 /nfs/dbraw/zinc/96/21/68/1038962168.db2.gz AJZIXDUSTIGYBK-IBGZPJMESA-N 0 3 390.277 3.980 20 10 GHCDHN O=C1CC[C@]2(CCC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)O1 ZINC001233194994 1038962169 /nfs/dbraw/zinc/96/21/69/1038962169.db2.gz AJZIXDUSTIGYBK-IBGZPJMESA-N 0 3 390.277 3.980 20 10 GHCDHN COc1cc(Cl)cc(CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1O ZINC001233288085 1039068828 /nfs/dbraw/zinc/06/88/28/1039068828.db2.gz VCNDGYSHDMZXRS-JLTOFOAXSA-N 0 3 396.915 3.933 20 10 GHCDHN [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001233333275 1039131301 /nfs/dbraw/zinc/13/13/01/1039131301.db2.gz QDJYDYVCYDGBAQ-UHFFFAOYSA-N 0 3 394.487 3.599 20 10 GHCDHN [O-]c1c(C[NH+]2CCC(COc3cccnc3)CC2)cccc1OC(F)(F)F ZINC001233728360 1039571878 /nfs/dbraw/zinc/57/18/78/1039571878.db2.gz WDRAWFGALHTNJL-UHFFFAOYSA-N 0 3 382.382 3.977 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)c2c1 ZINC001234525795 1040101168 /nfs/dbraw/zinc/10/11/68/1040101168.db2.gz KBCOMYNIKSZSMH-OXQOHEQNSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)c2c1 ZINC001234525795 1040101174 /nfs/dbraw/zinc/10/11/74/1040101174.db2.gz KBCOMYNIKSZSMH-OXQOHEQNSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C)(C(=O)N4CCCC4)CC3)c2c1 ZINC001234552598 1040122443 /nfs/dbraw/zinc/12/24/43/1040122443.db2.gz BIHVVZHOOTZDBK-UHFFFAOYSA-N 0 3 382.504 3.779 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1[O-] ZINC001462468159 1070276716 /nfs/dbraw/zinc/27/67/16/1070276716.db2.gz CZZOGTUVFMLLRX-GOSISDBHSA-N 0 3 382.273 3.686 20 10 GHCDHN O=C1C[C@H]2CC(N3CCN(c4ccc(OCc5cccnc5)cc4)CC3)C[C@@H]2C1 ZINC001254962497 1040692597 /nfs/dbraw/zinc/69/25/97/1040692597.db2.gz DWLBSUVHOLFIEM-WOJBJXKFSA-N 0 3 391.515 3.540 20 10 GHCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1Cl ZINC001235231296 1040711812 /nfs/dbraw/zinc/71/18/12/1040711812.db2.gz FABQPTYOYCBEBL-SJCJKPOMSA-N 0 3 376.850 3.927 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c([O-])c1 ZINC001235682200 1041151840 /nfs/dbraw/zinc/15/18/40/1041151840.db2.gz PBILTVGHCLUZAM-HSZRJFAPSA-N 0 3 380.536 3.972 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c([O-])c1 ZINC001235682200 1041151853 /nfs/dbraw/zinc/15/18/53/1041151853.db2.gz PBILTVGHCLUZAM-HSZRJFAPSA-N 0 3 380.536 3.972 20 10 GHCDHN CCOc1cccc(CN2CCN[C@@H](c3cccc(Br)c3)C2)c1O ZINC001235793436 1041289544 /nfs/dbraw/zinc/28/95/44/1041289544.db2.gz HUKBNWULBJXXAA-QGZVFWFLSA-N 0 3 391.309 3.700 20 10 GHCDHN CCOC(=O)c1c(CN2CCN[C@H](c3ccccc3)C2)c2ccccc2n1C ZINC001235855191 1041380577 /nfs/dbraw/zinc/38/05/77/1041380577.db2.gz KUYCDCUAJKRSNK-FQEVSTJZSA-N 0 3 377.488 3.502 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H]2c2ccccc2)N(C)C)cc1 ZINC001256231743 1041667353 /nfs/dbraw/zinc/66/73/53/1041667353.db2.gz CXYLUEFXBUZIPF-FGZHOGPDSA-N 0 3 380.536 3.902 20 10 GHCDHN COc1cc([O-])c(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1Br ZINC001236654364 1041805179 /nfs/dbraw/zinc/80/51/79/1041805179.db2.gz PIZQSRFAQMTUSA-OAHLLOKOSA-N 0 3 383.330 3.660 20 10 GHCDHN COc1cc(CN2CCC[C@@H](c3ccccn3)C2)c(O)cc1Br ZINC001236752951 1041873131 /nfs/dbraw/zinc/87/31/31/1041873131.db2.gz JCCWQAHMZRMMIH-CYBMUJFWSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1cc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])cc1Br ZINC001236752951 1041873142 /nfs/dbraw/zinc/87/31/42/1041873142.db2.gz JCCWQAHMZRMMIH-CYBMUJFWSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])cc1Br ZINC001236752951 1041873146 /nfs/dbraw/zinc/87/31/46/1041873146.db2.gz JCCWQAHMZRMMIH-CYBMUJFWSA-N 0 3 377.282 3.938 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c([O-])c1 ZINC001236787770 1041892699 /nfs/dbraw/zinc/89/26/99/1041892699.db2.gz ODWJSZVVHDCNSD-UHFFFAOYSA-N 0 3 379.504 3.507 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236806699 1041907928 /nfs/dbraw/zinc/90/79/28/1041907928.db2.gz ACUOBZKRYLKSCK-NRFANRHFSA-N 0 3 376.497 3.542 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236806699 1041907929 /nfs/dbraw/zinc/90/79/29/1041907929.db2.gz ACUOBZKRYLKSCK-NRFANRHFSA-N 0 3 376.497 3.542 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001236809526 1041910430 /nfs/dbraw/zinc/91/04/30/1041910430.db2.gz XHOBDIADNHKFOJ-UHFFFAOYSA-N 0 3 376.497 3.542 20 10 GHCDHN COC(=O)c1ccc(CC2CC[NH+](Cc3c(C)cc(OC)cc3[O-])CC2)cc1 ZINC001236813001 1041912362 /nfs/dbraw/zinc/91/23/62/1041912362.db2.gz DOXIVFQGIXTMCI-UHFFFAOYSA-N 0 3 383.488 3.951 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237046951 1042006104 /nfs/dbraw/zinc/00/61/04/1042006104.db2.gz IKSGAALPCQWVPY-OAHLLOKOSA-N 0 3 397.397 3.643 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c([O-])c1 ZINC001237046951 1042006112 /nfs/dbraw/zinc/00/61/12/1042006112.db2.gz IKSGAALPCQWVPY-OAHLLOKOSA-N 0 3 397.397 3.643 20 10 GHCDHN CCOc1ccc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001237046951 1042006118 /nfs/dbraw/zinc/00/61/18/1042006118.db2.gz IKSGAALPCQWVPY-OAHLLOKOSA-N 0 3 397.397 3.643 20 10 GHCDHN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137580 1042059420 /nfs/dbraw/zinc/05/94/20/1042059420.db2.gz RSYWTAVOBNPDEN-XLIONFOSSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137580 1042059425 /nfs/dbraw/zinc/05/94/25/1042059425.db2.gz RSYWTAVOBNPDEN-XLIONFOSSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137578 1042059600 /nfs/dbraw/zinc/05/96/00/1042059600.db2.gz RSYWTAVOBNPDEN-PXNSSMCTSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137578 1042059606 /nfs/dbraw/zinc/05/96/06/1042059606.db2.gz RSYWTAVOBNPDEN-PXNSSMCTSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1N[C@H](c2ccccc2)C12CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237138371 1042060332 /nfs/dbraw/zinc/06/03/32/1042060332.db2.gz BAPPCFBAVJMRBX-GOSISDBHSA-N 0 3 390.405 3.864 20 10 GHCDHN Cc1cccc(O)c1CN1CCc2c(COCc3ccccn3)cncc2C1 ZINC001237487401 1042230517 /nfs/dbraw/zinc/23/05/17/1042230517.db2.gz ZDPRRYXUUNAVOT-UHFFFAOYSA-N 0 3 375.472 3.766 20 10 GHCDHN Cc1cccc(O)c1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001237489310 1042232150 /nfs/dbraw/zinc/23/21/50/1042232150.db2.gz FTDBIQFQXXIROL-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001237488980 1042232364 /nfs/dbraw/zinc/23/23/64/1042232364.db2.gz SXXUYNBLSZPIRC-IBGZPJMESA-N 0 3 382.504 3.793 20 10 GHCDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237645299 1042300659 /nfs/dbraw/zinc/30/06/59/1042300659.db2.gz AYCLYNJWLMDWDD-IBGZPJMESA-N 0 3 395.434 3.650 20 10 GHCDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)n1 ZINC001237645299 1042300666 /nfs/dbraw/zinc/30/06/66/1042300666.db2.gz AYCLYNJWLMDWDD-IBGZPJMESA-N 0 3 395.434 3.650 20 10 GHCDHN Cc1cnc(O[C@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237645180 1042300787 /nfs/dbraw/zinc/30/07/87/1042300787.db2.gz ABQJUPZJUQPOSU-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cnc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237645180 1042300794 /nfs/dbraw/zinc/30/07/94/1042300794.db2.gz ABQJUPZJUQPOSU-FQEVSTJZSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cc(N2CCN(Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)ncn1 ZINC001237649719 1042303510 /nfs/dbraw/zinc/30/35/10/1042303510.db2.gz MQJGRYQEBLHALV-UHFFFAOYSA-N 0 3 378.451 3.619 20 10 GHCDHN COc1ccc(N2CCN([C@@H]3CCO[C@H](c4ccccc4)C3)CC2)c(OC)c1 ZINC001256829970 1043681572 /nfs/dbraw/zinc/68/15/72/1043681572.db2.gz MQGQPYJNNIYXJT-KNQAVFIVSA-N 0 3 382.504 3.746 20 10 GHCDHN Cc1ccc(O)c(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC001301046523 1046306945 /nfs/dbraw/zinc/30/69/45/1046306945.db2.gz DVCIYTRDEVXFIT-HXUWFJFHSA-N 0 3 392.421 3.771 20 10 GHCDHN COc1cc(Cl)cc(CN2CC3(C2)CCN(Cc2scnc2C)C3)c1O ZINC001279473637 1047818482 /nfs/dbraw/zinc/81/84/82/1047818482.db2.gz BAKJNQFFFUBXQS-UHFFFAOYSA-N 0 3 393.940 3.527 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)N(C)C)cc1 ZINC001463276821 1070957359 /nfs/dbraw/zinc/95/73/59/1070957359.db2.gz ATYBATVVFSAAID-NRFANRHFSA-N 0 3 383.536 3.963 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)c2ccc(F)cc2F)N(C)C)cc1 ZINC001463287585 1070964724 /nfs/dbraw/zinc/96/47/24/1070964724.db2.gz YFVAAZISBKMYSO-HXUWFJFHSA-N 0 3 389.490 3.728 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307500828 1049341789 /nfs/dbraw/zinc/34/17/89/1049341789.db2.gz GYQJOGXDDXDTCC-CYBMUJFWSA-N 0 3 392.402 3.953 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)CCCC3)N(C)C)cc1 ZINC001289600500 1049555855 /nfs/dbraw/zinc/55/58/55/1049555855.db2.gz QEABRBJLFLZTAD-HSZRJFAPSA-N 0 3 379.548 3.593 20 10 GHCDHN COc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)cc1Cn1cccn1 ZINC001308286163 1049938224 /nfs/dbraw/zinc/93/82/24/1049938224.db2.gz XGJLNLBEZUJETR-GOSISDBHSA-N 0 3 389.858 3.556 20 10 GHCDHN COc1ccc(CN2CCN(c3cccc4cnccc43)C[C@@H]2C)c(O)c1OC ZINC001308727063 1050072717 /nfs/dbraw/zinc/07/27/17/1050072717.db2.gz PZMJBXZFNBMQEB-INIZCTEOSA-N 0 3 393.487 3.668 20 10 GHCDHN COc1cc(Cl)cc(CNc2cc(N(C)C)c(Br)cn2)c1O ZINC001308767810 1050088026 /nfs/dbraw/zinc/08/80/26/1050088026.db2.gz TUTDYHCKBFVZER-UHFFFAOYSA-N 0 3 386.677 3.890 20 10 GHCDHN CCc1cccc(CNCC(=O)Nc2ccc(Br)c(C)c2)c1O ZINC001308828933 1050111632 /nfs/dbraw/zinc/11/16/32/1050111632.db2.gz LVYHXNJFNKFEOV-UHFFFAOYSA-N 0 3 377.282 3.754 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(C(F)(F)F)n2)N(C)C)cc1 ZINC001310538747 1051427768 /nfs/dbraw/zinc/42/77/68/1051427768.db2.gz ABRUKRRTSUWSPU-OAHLLOKOSA-N 0 3 395.429 3.591 20 10 GHCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1F ZINC001311745280 1052369196 /nfs/dbraw/zinc/36/91/96/1052369196.db2.gz UYMKZFNMZFAMDV-FQEVSTJZSA-N 0 3 398.526 3.746 20 10 GHCDHN Cn1cc(N2CC[C@@H]([NH2+][C@H](CCc3ccccc3)c3ccccc3[O-])C2)cn1 ZINC001324239072 1057095430 /nfs/dbraw/zinc/09/54/30/1057095430.db2.gz BHGJEMLMQBJQMG-DENIHFKCSA-N 0 3 376.504 3.668 20 10 GHCDHN Cc1ncncc1[C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000848539751 1057161647 /nfs/dbraw/zinc/16/16/47/1057161647.db2.gz MWEQWDWUVNSUOB-MGPUTAFESA-N 0 3 399.539 3.768 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2ccncc2OC)c1O ZINC000848548381 1057168850 /nfs/dbraw/zinc/16/88/50/1057168850.db2.gz WKACRUXMAADXNZ-QWRGUYRKSA-N 0 3 381.270 3.979 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848562910 1057180800 /nfs/dbraw/zinc/18/08/00/1057180800.db2.gz MFHXJXLEHJYWMH-GHMZBOCLSA-N 0 3 388.302 3.792 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000848926318 1057426857 /nfs/dbraw/zinc/42/68/57/1057426857.db2.gz OVCRTXYMHLJGJX-UHFFFAOYSA-N 0 3 383.330 3.590 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2F)N(C)C)cc1 ZINC001439960744 1058366767 /nfs/dbraw/zinc/36/67/67/1058366767.db2.gz OFJAIPLZIRXFGT-GOSISDBHSA-N 0 3 397.416 3.943 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@]23CCCc2ccccc23)N(C)C)cc1 ZINC001439960801 1058367173 /nfs/dbraw/zinc/36/71/73/1058367173.db2.gz OKPZDXZUIWAHKB-CUYJMHBOSA-N 0 3 391.559 3.766 20 10 GHCDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC001468344154 1067694828 /nfs/dbraw/zinc/69/48/28/1067694828.db2.gz APGDGZPQKOSSGW-FQEVSTJZSA-N 0 3 396.531 3.903 20 10 GHCDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001469853474 1068430603 /nfs/dbraw/zinc/43/06/03/1068430603.db2.gz JJWHXKVDCOUOHM-PMACEKPBSA-N 0 3 394.563 3.977 20 10 GHCDHN C[C@H](CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001478542142 1078910741 /nfs/dbraw/zinc/91/07/41/1078910741.db2.gz MSWDROGXCNVROS-GCJKJVERSA-N 0 3 382.552 3.848 20 10 GHCDHN Cc1cc(F)ccc1[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471281604 1072996495 /nfs/dbraw/zinc/99/64/95/1072996495.db2.gz JJTCLIOSTYZGCR-HRAATJIYSA-N 0 3 386.515 3.863 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](C3CCCC3)C2)N(C)C)cc1 ZINC001471546343 1073126063 /nfs/dbraw/zinc/12/60/63/1073126063.db2.gz BDOYJKNSFHBPNF-IRLDBZIGSA-N 0 3 386.584 3.967 20 10 GHCDHN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1 ZINC001473154757 1073814569 /nfs/dbraw/zinc/81/45/69/1073814569.db2.gz ZFKRCZGQPZHHRV-UHFFFAOYSA-N 0 3 396.487 3.952 20 10 GHCDHN CCOC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC001473154757 1073814583 /nfs/dbraw/zinc/81/45/83/1073814583.db2.gz ZFKRCZGQPZHHRV-UHFFFAOYSA-N 0 3 396.487 3.952 20 10 GHCDHN CCOC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC001473154757 1073814593 /nfs/dbraw/zinc/81/45/93/1073814593.db2.gz ZFKRCZGQPZHHRV-UHFFFAOYSA-N 0 3 396.487 3.952 20 10 GHCDHN CCc1ccc(CCN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC001473363753 1073936484 /nfs/dbraw/zinc/93/64/84/1073936484.db2.gz LPNUVTWVRDSECU-UHFFFAOYSA-N 0 3 384.520 3.640 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CCOc4c(Cl)cccc43)cc2F)CC1 ZINC001473958529 1074218606 /nfs/dbraw/zinc/21/86/06/1074218606.db2.gz FEEGDMXHDYCUAU-LJQANCHMSA-N 0 3 389.902 3.844 20 10 GHCDHN CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)NCc1cccs1 ZINC001474191884 1074288685 /nfs/dbraw/zinc/28/86/85/1074288685.db2.gz BJSPDMIPSVUWSR-GOSISDBHSA-N 0 3 377.529 3.918 20 10 GHCDHN COC[C@H](Cc1ccccc1)N(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001474494621 1074432364 /nfs/dbraw/zinc/43/23/64/1074432364.db2.gz BVGOPFXMNQWFBX-SFHVURJKSA-N 0 3 398.478 3.794 20 10 GHCDHN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000177924204 837403544 /nfs/dbraw/zinc/40/35/44/837403544.db2.gz WYMMKZCASPMYFT-SFHVURJKSA-N 0 3 381.520 3.653 20 10 GHCDHN CCCCN(C)C(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177036246 835549994 /nfs/dbraw/zinc/54/99/94/835549994.db2.gz BKXLXQJDHONCIS-UHFFFAOYSA-N 0 3 380.916 3.719 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000728948976 844273409 /nfs/dbraw/zinc/27/34/09/844273409.db2.gz LRXBDXFWVWJCGB-JZXOWHBKSA-N 0 3 383.492 3.597 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001279219703 839188640 /nfs/dbraw/zinc/18/86/40/839188640.db2.gz IAPVOSOMAPPCEQ-UHFFFAOYSA-N 0 3 379.342 3.995 20 10 GHCDHN Cc1ccc2c(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123316564 841743889 /nfs/dbraw/zinc/74/38/89/841743889.db2.gz QHXRBUUOABUGTB-QGZVFWFLSA-N 0 3 378.472 3.789 20 10 GHCDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000731006995 861403949 /nfs/dbraw/zinc/40/39/49/861403949.db2.gz DBHQVCJCJMUHRM-LJQANCHMSA-N 0 3 389.927 3.588 20 10 GHCDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279807447 843394926 /nfs/dbraw/zinc/39/49/26/843394926.db2.gz FCIMDZSRPBATCU-IRXDYDNUSA-N 0 3 382.430 3.608 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000729051646 844701405 /nfs/dbraw/zinc/70/14/05/844701405.db2.gz UNVCMLLPLMBFAN-UWJYYQICSA-N 0 3 397.519 3.907 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000481557962 861710813 /nfs/dbraw/zinc/71/08/13/861710813.db2.gz BTVVLPIEHMOZOV-QGZVFWFLSA-N 0 3 389.421 3.692 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000271771815 846914743 /nfs/dbraw/zinc/91/47/43/846914743.db2.gz BTLIFKDLCZWAGA-HNNXBMFYSA-N 0 3 386.355 3.998 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCC1(c2ccccc2)CC1 ZINC000731847046 861906054 /nfs/dbraw/zinc/90/60/54/861906054.db2.gz BIBNJNXDRMYWAK-UHFFFAOYSA-N 0 3 378.516 3.985 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCC1(c2ccccc2)CC1 ZINC000731847046 861906073 /nfs/dbraw/zinc/90/60/73/861906073.db2.gz BIBNJNXDRMYWAK-UHFFFAOYSA-N 0 3 378.516 3.985 20 10 GHCDHN COc1ccc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)c(O)c1OC ZINC000894694710 851941648 /nfs/dbraw/zinc/94/16/48/851941648.db2.gz NGNKZGMJTBQIHU-HNNXBMFYSA-N 0 3 385.382 3.642 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000157072451 854951062 /nfs/dbraw/zinc/95/10/62/854951062.db2.gz CMHRVYAHQFMPGR-AWEZNQCLSA-N 0 3 387.436 3.548 20 10 GHCDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)c2ccccc2O1 ZINC000760818760 855885937 /nfs/dbraw/zinc/88/59/37/855885937.db2.gz RGQSRJUQTKERML-AUECHBEKSA-N 0 3 385.533 3.810 20 10 GHCDHN Cc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 ZINC000139818451 856089585 /nfs/dbraw/zinc/08/95/85/856089585.db2.gz GVHXPRLEOFCYJL-UHFFFAOYSA-N 0 3 391.494 3.541 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@]12CCCO2 ZINC000761218852 859391543 /nfs/dbraw/zinc/39/15/43/859391543.db2.gz KZIODLWOCDHCMW-DNVJHFABSA-N 0 3 383.488 3.787 20 10 GHCDHN C[C@@H](NCCN1Cc2ccccc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765401642 859955311 /nfs/dbraw/zinc/95/53/11/859955311.db2.gz HMOPUFQDLFWYEK-QGZVFWFLSA-N 0 3 385.939 3.843 20 10 GHCDHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)C[C@H](C)O1 ZINC000921596782 860548611 /nfs/dbraw/zinc/54/86/11/860548611.db2.gz OYYARDGEEYEKCU-HDICACEKSA-N 0 3 394.515 3.551 20 10 GHCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2cnccc2o1 ZINC000896263872 860588620 /nfs/dbraw/zinc/58/86/20/860588620.db2.gz IUYPXPWVZXAVIP-KXBFYZLASA-N 0 3 395.507 3.557 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000730062105 860842792 /nfs/dbraw/zinc/84/27/92/860842792.db2.gz JDYDYGAPMAQURR-JOCHJYFZSA-N 0 3 379.548 3.666 20 10 GHCDHN O=S1(=O)CCCN1c1cccc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000185089941 865173702 /nfs/dbraw/zinc/17/37/02/865173702.db2.gz XCFMWIBRZQAAMP-UHFFFAOYSA-N 0 3 399.560 3.507 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742384430 867252181 /nfs/dbraw/zinc/25/21/81/867252181.db2.gz BPUBGTOZLXCWBU-CQSZACIVSA-N 0 3 378.419 3.761 20 10 GHCDHN C[C@H](NCCCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000766381499 870668148 /nfs/dbraw/zinc/66/81/48/870668148.db2.gz KFTWUOORCVQPCR-HNNXBMFYSA-N 0 3 382.932 3.949 20 10 GHCDHN C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000763522388 872222086 /nfs/dbraw/zinc/22/20/86/872222086.db2.gz ATSALOMWAFYMQC-QGZVFWFLSA-N 0 3 385.467 3.947 20 10 GHCDHN COc1cc(O)c(CN2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000775654272 872388927 /nfs/dbraw/zinc/38/89/27/872388927.db2.gz WDCMLLAMQIPCNP-HOCLYGCPSA-N 0 3 394.512 3.677 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000768162577 873124398 /nfs/dbraw/zinc/12/43/98/873124398.db2.gz QUOSDUAZACAEBH-RBUKOAKNSA-N 0 3 390.524 3.773 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000768162577 873124400 /nfs/dbraw/zinc/12/44/00/873124400.db2.gz QUOSDUAZACAEBH-RBUKOAKNSA-N 0 3 390.524 3.773 20 10 GHCDHN COc1cc(Br)cc(CN(C)Cc2ccc(OC)c(OC)c2)c1O ZINC000768170254 873128632 /nfs/dbraw/zinc/12/86/32/873128632.db2.gz MYQJRGYYDSJNMH-UHFFFAOYSA-N 0 3 396.281 3.813 20 10 GHCDHN COc1cccc(-c2n[nH]cc2CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000768208070 873145456 /nfs/dbraw/zinc/14/54/56/873145456.db2.gz MPQDTPFMHSSODL-UHFFFAOYSA-N 0 3 392.503 3.554 20 10 GHCDHN COC[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000312283869 873161850 /nfs/dbraw/zinc/16/18/50/873161850.db2.gz OOUCEGOQWZQUEX-JLTOFOAXSA-N 0 3 382.476 3.598 20 10 GHCDHN C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444950 873308528 /nfs/dbraw/zinc/30/85/28/873308528.db2.gz OMSQNBREGBKBIH-NRFANRHFSA-N 0 3 380.444 3.538 20 10 GHCDHN C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444950 873308543 /nfs/dbraw/zinc/30/85/43/873308543.db2.gz OMSQNBREGBKBIH-NRFANRHFSA-N 0 3 380.444 3.538 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000768797103 873588525 /nfs/dbraw/zinc/58/85/25/873588525.db2.gz GWQCBJOSGFGMSD-HNNXBMFYSA-N 0 3 389.883 3.690 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC000768797103 873588532 /nfs/dbraw/zinc/58/85/32/873588532.db2.gz GWQCBJOSGFGMSD-HNNXBMFYSA-N 0 3 389.883 3.690 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000768928636 873697556 /nfs/dbraw/zinc/69/75/56/873697556.db2.gz CNFOCSLUCXIQCK-MRXNPFEDSA-N 0 3 399.409 3.681 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000768928636 873697563 /nfs/dbraw/zinc/69/75/63/873697563.db2.gz CNFOCSLUCXIQCK-MRXNPFEDSA-N 0 3 399.409 3.681 20 10 GHCDHN CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000769401789 874021908 /nfs/dbraw/zinc/02/19/08/874021908.db2.gz PNVWXKHBIPFIIT-OAQYLSRUSA-N 0 3 375.532 3.895 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c([O-])c1 ZINC000769483205 874065044 /nfs/dbraw/zinc/06/50/44/874065044.db2.gz HANRWULDCBUZQR-CRAIPNDOSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c([O-])c1 ZINC000769483205 874065060 /nfs/dbraw/zinc/06/50/60/874065060.db2.gz HANRWULDCBUZQR-CRAIPNDOSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1cc(OC)cc(N2CCCN(Cc3ccc(N(C)C)c(F)c3)CC2)c1 ZINC000769543941 874147778 /nfs/dbraw/zinc/14/77/78/874147778.db2.gz QERSDBWUGIXCSE-UHFFFAOYSA-N 0 3 387.499 3.621 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000769781752 874286927 /nfs/dbraw/zinc/28/69/27/874286927.db2.gz ORHBAMCASCRYJP-DEOSSOPVSA-N 0 3 389.451 3.963 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000769781752 874286948 /nfs/dbraw/zinc/28/69/48/874286948.db2.gz ORHBAMCASCRYJP-DEOSSOPVSA-N 0 3 389.451 3.963 20 10 GHCDHN CCc1nc2ccccc2n1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000771629668 875354701 /nfs/dbraw/zinc/35/47/01/875354701.db2.gz WTUFNMOYKMJPNJ-OAQYLSRUSA-N 0 3 393.487 3.567 20 10 GHCDHN O=c1[nH]cccc1CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000858304899 883011154 /nfs/dbraw/zinc/01/11/54/883011154.db2.gz YRGSKAZBNYZALB-UHFFFAOYSA-N 0 3 376.298 3.830 20 10 GHCDHN CCCN(CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccccc1O ZINC000108363388 876457987 /nfs/dbraw/zinc/45/79/87/876457987.db2.gz ORTPBPXHCBOGIH-NRFANRHFSA-N 0 3 395.528 3.967 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850427218 876910110 /nfs/dbraw/zinc/91/01/10/876910110.db2.gz PFDMHEVKGJBECR-INIZCTEOSA-N 0 3 384.495 3.963 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000850565173 877030565 /nfs/dbraw/zinc/03/05/65/877030565.db2.gz BXOORUWDNNBCEL-GOSISDBHSA-N 0 3 376.504 3.684 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000850565109 877030751 /nfs/dbraw/zinc/03/07/51/877030751.db2.gz AGUPIXISXBXUSQ-LJQANCHMSA-N 0 3 390.531 3.743 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1[O-] ZINC000850573956 877040102 /nfs/dbraw/zinc/04/01/02/877040102.db2.gz UHPABZNBIAHKSP-LBPRGKRZSA-N 0 3 399.329 3.640 20 10 GHCDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000181012310 883116584 /nfs/dbraw/zinc/11/65/84/883116584.db2.gz LGFXVDWLPFNNLJ-GFCCVEGCSA-N 0 3 387.281 3.895 20 10 GHCDHN COc1ccc(O)c(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000789597425 879106184 /nfs/dbraw/zinc/10/61/84/879106184.db2.gz SWTVURGFNQAJKZ-INIZCTEOSA-N 0 3 395.286 3.993 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000776698778 879377613 /nfs/dbraw/zinc/37/76/13/879377613.db2.gz CDUJUCBOVUNQDQ-ZDUSSCGKSA-N 0 3 377.282 3.532 20 10 GHCDHN COCc1ccccc1CNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000112601111 880050197 /nfs/dbraw/zinc/05/01/97/880050197.db2.gz PTBABBODXSPZTN-UHFFFAOYSA-N 0 3 382.504 3.600 20 10 GHCDHN COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000112601111 880050207 /nfs/dbraw/zinc/05/02/07/880050207.db2.gz PTBABBODXSPZTN-UHFFFAOYSA-N 0 3 382.504 3.600 20 10 GHCDHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(C)cc1[O-] ZINC000806170707 884392692 /nfs/dbraw/zinc/39/26/92/884392692.db2.gz ZXEXPOHDGHGGAO-VQTJNVASSA-N 0 3 398.503 3.560 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000806464370 884730967 /nfs/dbraw/zinc/73/09/67/884730967.db2.gz GQEORKDQLXTPEZ-QFIPXVFZSA-N 0 3 398.551 3.644 20 10 GHCDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccco1 ZINC000806846125 885021517 /nfs/dbraw/zinc/02/15/17/885021517.db2.gz DGBDSHLVBSKJCT-FXAWDEMLSA-N 0 3 382.508 3.584 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000807402632 885429856 /nfs/dbraw/zinc/42/98/56/885429856.db2.gz JGQWWKIUCXZLAC-PGRDOPGGSA-N 0 3 382.552 3.976 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762625738 886559283 /nfs/dbraw/zinc/55/92/83/886559283.db2.gz PTUQSQIGQHIARM-XOBRGWDASA-N 0 3 378.875 3.976 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000808718872 886701684 /nfs/dbraw/zinc/70/16/84/886701684.db2.gz XOHSLQGYMREZGJ-NVXWUHKLSA-N 0 3 388.895 3.685 20 10 GHCDHN COC(=O)c1ccc2cc(CC[NH2+]Cc3cc(Cl)cc(OC)c3[O-])oc2c1 ZINC001184266184 913109365 /nfs/dbraw/zinc/10/93/65/913109365.db2.gz ZRQKGQIHRLURPT-UHFFFAOYSA-N 0 3 389.835 3.919 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697991 887678390 /nfs/dbraw/zinc/67/83/90/887678390.db2.gz SYTJYSLJDLIKPC-HKUYNNGSSA-N 0 3 395.421 3.964 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697991 887678399 /nfs/dbraw/zinc/67/83/99/887678399.db2.gz SYTJYSLJDLIKPC-HKUYNNGSSA-N 0 3 395.421 3.964 20 10 GHCDHN COc1cccc(O)c1CN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000809687373 887704566 /nfs/dbraw/zinc/70/45/66/887704566.db2.gz XXNZGNXPHBVSHQ-IBGZPJMESA-N 0 3 382.504 3.504 20 10 GHCDHN COc1cccc(C[N@H+](CCN(C)C)Cc2cccc(Br)c2[O-])c1 ZINC000809751034 887788499 /nfs/dbraw/zinc/78/84/99/887788499.db2.gz ACNZLWUYENCZAG-UHFFFAOYSA-N 0 3 393.325 3.727 20 10 GHCDHN COc1cccc(C[N@@H+](CCN(C)C)Cc2cccc(Br)c2[O-])c1 ZINC000809751034 887788511 /nfs/dbraw/zinc/78/85/11/887788511.db2.gz ACNZLWUYENCZAG-UHFFFAOYSA-N 0 3 393.325 3.727 20 10 GHCDHN CC(C)OC(=O)C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000809763062 887804667 /nfs/dbraw/zinc/80/46/67/887804667.db2.gz ISRQSNXVUGBFMQ-QFIPXVFZSA-N 0 3 382.504 3.696 20 10 GHCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000794804767 888095567 /nfs/dbraw/zinc/09/55/67/888095567.db2.gz WBELSGBVLUEPNX-PZJWPPBQSA-N 0 3 382.504 3.850 20 10 GHCDHN c1cc(CNCc2ccc(N3CCCCC3)cc2)cc(N2CCSCC2)n1 ZINC000865720881 888544684 /nfs/dbraw/zinc/54/46/84/888544684.db2.gz KLZRCALSCCOONA-UHFFFAOYSA-N 0 3 382.577 3.915 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1[O-] ZINC000763389864 889212420 /nfs/dbraw/zinc/21/24/20/889212420.db2.gz CYFFZEQEJJGFND-SFHVURJKSA-N 0 3 392.952 3.761 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)Nc2cc(CN(C)C)ccc2OC)cc1 ZINC000916679260 889307992 /nfs/dbraw/zinc/30/79/92/889307992.db2.gz LJMLNXUPWRHCNE-UHFFFAOYSA-N 0 3 384.524 3.925 20 10 GHCDHN CC(=O)Nc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1C ZINC000122250963 889555521 /nfs/dbraw/zinc/55/55/21/889555521.db2.gz LFKJXSQWCRIILV-UHFFFAOYSA-N 0 3 394.519 3.736 20 10 GHCDHN C[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154216548 890313078 /nfs/dbraw/zinc/31/30/78/890313078.db2.gz SUGMVSRPJSQRLQ-VGSWGCGISA-N 0 3 381.520 3.512 20 10 GHCDHN CCOc1ccc(O)c(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000812763838 890920595 /nfs/dbraw/zinc/92/05/95/890920595.db2.gz XXIJYTIQPDDMQZ-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN Cc1onc(-c2cccs2)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686769 893202044 /nfs/dbraw/zinc/20/20/44/893202044.db2.gz WDSPZKKLBYAWRN-QGZVFWFLSA-N 0 3 398.532 3.810 20 10 GHCDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134682066 893219233 /nfs/dbraw/zinc/21/92/33/893219233.db2.gz RZEJZNKMTCYXBL-FOIQADDNSA-N 0 3 389.927 3.592 20 10 GHCDHN CCOc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001134682031 893219643 /nfs/dbraw/zinc/21/96/43/893219643.db2.gz QKQWQEDKRDZYRB-QFIPXVFZSA-N 0 3 383.536 3.503 20 10 GHCDHN OC1CCN(c2ccc(CN(Cc3cccs3)C[C@@H]3CCCO3)cc2)CC1 ZINC000876548847 893221645 /nfs/dbraw/zinc/22/16/45/893221645.db2.gz VNZVPVCLKNDMJW-NRFANRHFSA-N 0 3 386.561 3.890 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)s2)N(C)C)cc1 ZINC001134882265 893504464 /nfs/dbraw/zinc/50/44/64/893504464.db2.gz NXQJXPJJUMQIMS-AWEZNQCLSA-N 0 3 396.354 3.609 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCc3ccccc3C2)N(C)C)cc1 ZINC001134882056 893505557 /nfs/dbraw/zinc/50/55/57/893505557.db2.gz KYNNTDZEYGEAOF-LADGPHEKSA-N 0 3 379.548 3.667 20 10 GHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000815556847 893994773 /nfs/dbraw/zinc/99/47/73/893994773.db2.gz GMPKLNCUPXDLEH-GOSISDBHSA-N 0 3 381.520 3.763 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCC4=O)c2)CC1 ZINC000815902260 894278203 /nfs/dbraw/zinc/27/82/03/894278203.db2.gz WKIBYHOTLVSQHZ-UHFFFAOYSA-N 0 3 391.515 3.988 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817943550 895972164 /nfs/dbraw/zinc/97/21/64/895972164.db2.gz VHAVFKQONHJHJB-UGSOOPFHSA-N 0 3 392.341 3.880 20 10 GHCDHN C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950092 895975416 /nfs/dbraw/zinc/97/54/16/895975416.db2.gz RREYQOFUFFJMSW-MWLCHTKSSA-N 0 3 392.135 3.710 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000818219208 896085394 /nfs/dbraw/zinc/08/53/94/896085394.db2.gz AMDAIZALRJMFLW-CQSZACIVSA-N 0 3 375.856 3.873 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821391177 897859816 /nfs/dbraw/zinc/85/98/16/897859816.db2.gz IOJNIEDFHFMYFJ-UYAOXDASSA-N 0 3 384.476 3.681 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000821391177 897859823 /nfs/dbraw/zinc/85/98/23/897859823.db2.gz IOJNIEDFHFMYFJ-UYAOXDASSA-N 0 3 384.476 3.681 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000155304519 898590575 /nfs/dbraw/zinc/59/05/75/898590575.db2.gz YZPXCEJNAQNMJQ-INIZCTEOSA-N 0 3 386.471 3.727 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc4c(c3)OCO4)cc2F)CC1 ZINC000155316986 898607963 /nfs/dbraw/zinc/60/79/63/898607963.db2.gz CWDITURPRJYRPW-INIZCTEOSA-N 0 3 385.483 3.547 20 10 GHCDHN O=C(Nc1c(F)cc(F)cc1F)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001186085530 914295139 /nfs/dbraw/zinc/29/51/39/914295139.db2.gz YABGRKCWTLECSC-UHFFFAOYSA-N 0 3 379.382 3.596 20 10 GHCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3nc(C)sc3C)CC2)cc1 ZINC000772871038 899062438 /nfs/dbraw/zinc/06/24/38/899062438.db2.gz SJUCMNZOKDRSAJ-MRXNPFEDSA-N 0 3 388.581 3.631 20 10 GHCDHN CC(C)COc1ccccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000824086484 899387203 /nfs/dbraw/zinc/38/72/03/899387203.db2.gz WMEFSUDHWYUJNR-NRFANRHFSA-N 0 3 395.547 3.713 20 10 GHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000824771157 899797314 /nfs/dbraw/zinc/79/73/14/899797314.db2.gz PSVJLPMPZPPQDX-INIZCTEOSA-N 0 3 386.459 3.731 20 10 GHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1O ZINC000824771157 899797318 /nfs/dbraw/zinc/79/73/18/899797318.db2.gz PSVJLPMPZPPQDX-INIZCTEOSA-N 0 3 386.459 3.731 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282959306 900979097 /nfs/dbraw/zinc/97/90/97/900979097.db2.gz HSZOBWDYDKOUIW-REWPJTCUSA-N 0 3 397.515 3.629 20 10 GHCDHN CC(C)[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)c1 ZINC000886506414 901095464 /nfs/dbraw/zinc/09/54/64/901095464.db2.gz RBIZPCJYNBNCQO-LJQANCHMSA-N 0 3 396.457 3.762 20 10 GHCDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747278 901251402 /nfs/dbraw/zinc/25/14/02/901251402.db2.gz PJULTIQYFBDHDK-JOCHJYFZSA-N 0 3 393.531 3.700 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000886749190 901253529 /nfs/dbraw/zinc/25/35/29/901253529.db2.gz LUTSRPCPKDDKRO-KUHUBIRLSA-N 0 3 397.494 3.571 20 10 GHCDHN C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(-c4ccccc4)ccc3[O-])cn2)CCO1 ZINC000263724956 902439027 /nfs/dbraw/zinc/43/90/27/902439027.db2.gz XDIFWHYMZSXIGS-GOSISDBHSA-N 0 3 389.499 3.969 20 10 GHCDHN Cc1ccc(O)c([C@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000185146271 907722250 /nfs/dbraw/zinc/72/22/50/907722250.db2.gz WQFMOYZXFUYKSN-HNNXBMFYSA-N 0 3 376.522 3.628 20 10 GHCDHN C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000773619662 908448161 /nfs/dbraw/zinc/44/81/61/908448161.db2.gz NHNLJCBUVMBZIS-PGRDOPGGSA-N 0 3 380.536 3.950 20 10 GHCDHN CCN(CC)c1ccc(CNCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000067979621 908748105 /nfs/dbraw/zinc/74/81/05/908748105.db2.gz MSRFPVKLSKTNQV-QHCPKHFHSA-N 0 3 395.547 3.731 20 10 GHCDHN O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCc2cccc(O)c2C1 ZINC001178590963 909113789 /nfs/dbraw/zinc/11/37/89/909113789.db2.gz LGHJMFAIXYCMCM-UHFFFAOYSA-N 0 3 398.506 3.998 20 10 GHCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859478 909784254 /nfs/dbraw/zinc/78/42/54/909784254.db2.gz PNTRXAAZTDDZHD-CABCVRRESA-N 0 3 397.357 3.980 20 10 GHCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859478 909784258 /nfs/dbraw/zinc/78/42/58/909784258.db2.gz PNTRXAAZTDDZHD-CABCVRRESA-N 0 3 397.357 3.980 20 10 GHCDHN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483213 911787698 /nfs/dbraw/zinc/78/76/98/911787698.db2.gz IVFKAAJMKRPSKQ-CVEARBPZSA-N 0 3 383.492 3.525 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)ccc1[O-] ZINC000774510838 911853732 /nfs/dbraw/zinc/85/37/32/911853732.db2.gz RXUOJGRXEZROLC-BZNIZROVSA-N 0 3 393.256 3.750 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1)C(CC)CC)cc2=O ZINC000775127230 915324001 /nfs/dbraw/zinc/32/40/01/915324001.db2.gz CHDAOIKLXZGHOX-HXUWFJFHSA-N 0 3 396.491 3.879 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000294076624 916570812 /nfs/dbraw/zinc/57/08/12/916570812.db2.gz QSVAKDGXDULVOV-QHCPKHFHSA-N 0 3 397.515 3.629 20 10 GHCDHN CC(C)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256566 916637928 /nfs/dbraw/zinc/63/79/28/916637928.db2.gz ZXHPYXSINUCKTL-SFHVURJKSA-N 0 3 381.520 3.936 20 10 GHCDHN CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254093 916652998 /nfs/dbraw/zinc/65/29/98/916652998.db2.gz GKEKCHZVYCIUKX-PMACEKPBSA-N 0 3 395.547 3.611 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000775373273 917245870 /nfs/dbraw/zinc/24/58/70/917245870.db2.gz QKWZLJGJWUTLBB-DLBZAZTESA-N 0 3 382.504 3.879 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000775373377 917279492 /nfs/dbraw/zinc/27/94/92/917279492.db2.gz QKWZLJGJWUTLBB-SJORKVTESA-N 0 3 382.504 3.879 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnn(C2CCCC2)c1 ZINC000800476347 920155969 /nfs/dbraw/zinc/15/59/69/920155969.db2.gz JQURZLDQOSBAPF-IEBWSBKVSA-N 0 3 395.551 3.551 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000800478346 920161038 /nfs/dbraw/zinc/16/10/38/920161038.db2.gz DTXHLHOOLJFZDD-AZUAARDMSA-N 0 3 378.944 3.949 20 10 GHCDHN C[C@H](NCc1c[nH]c(=O)c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000903231185 922870925 /nfs/dbraw/zinc/87/09/25/922870925.db2.gz JKOFHFVDTLAOPM-HNNXBMFYSA-N 0 3 381.451 3.767 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2c(C)nc3ccccn32)c1[O-] ZINC000903421217 923006861 /nfs/dbraw/zinc/00/68/61/923006861.db2.gz FSZQWEWJQKLGDN-LLVKDONJSA-N 0 3 390.281 3.970 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)CC1 ZINC000827303277 925207776 /nfs/dbraw/zinc/20/77/76/925207776.db2.gz DMJFUZYLXCMBTC-UHFFFAOYSA-N 0 3 379.548 3.932 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccnc(C)c4)C3)C2)cc1 ZINC001137410141 925472930 /nfs/dbraw/zinc/47/29/30/925472930.db2.gz WBEOFKJEWNFCIK-QHCPKHFHSA-N 0 3 381.520 3.518 20 10 GHCDHN Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC000753546396 929406427 /nfs/dbraw/zinc/40/64/27/929406427.db2.gz HIVWKAREUNYXBG-FQEVSTJZSA-N 0 3 375.472 3.717 20 10 GHCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000757628416 929750421 /nfs/dbraw/zinc/75/04/21/929750421.db2.gz WBIOMNJQFZNGCO-DENIHFKCSA-N 0 3 392.547 3.749 20 10 GHCDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1Cc1ccccc1 ZINC000757766284 929793260 /nfs/dbraw/zinc/79/32/60/929793260.db2.gz IKSYBBKMIKHWPU-WIYYLYMNSA-N 0 3 380.536 3.557 20 10 GHCDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1Cc1ccccc1 ZINC000757766280 929793352 /nfs/dbraw/zinc/79/33/52/929793352.db2.gz IKSYBBKMIKHWPU-GHTZIAJQSA-N 0 3 380.536 3.557 20 10 GHCDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000783506877 931567500 /nfs/dbraw/zinc/56/75/00/931567500.db2.gz YGVQYJXQQUXVHY-LBPRGKRZSA-N 0 3 390.505 3.754 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2[O-])s1 ZINC000797142251 932200314 /nfs/dbraw/zinc/20/03/14/932200314.db2.gz SWLMTGCXOLDXCK-NFAWXSAZSA-N 0 3 376.526 3.819 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000799338546 932956712 /nfs/dbraw/zinc/95/67/12/932956712.db2.gz RQPMACAZFPLXOT-NSHDSACASA-N 0 3 390.356 3.789 20 10 GHCDHN COc1ccc(CN[C@@H]2CCCc3cnn(C(C)C)c32)cc1Cn1cccn1 ZINC001119027736 934301507 /nfs/dbraw/zinc/30/15/07/934301507.db2.gz DTIVEXDJPLHXNE-HXUWFJFHSA-N 0 3 379.508 3.885 20 10 GHCDHN CCN1CCN(CCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)CC1 ZINC001137816378 935805791 /nfs/dbraw/zinc/80/57/91/935805791.db2.gz HZSVAGAPHKZMEY-FQEVSTJZSA-N 0 3 395.547 3.510 20 10 GHCDHN Cc1cc(C[N@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c([O-])cc1Br ZINC001277191127 1032331518 /nfs/dbraw/zinc/33/15/18/1032331518.db2.gz FNNAGHIQGBRKLN-IBGZPJMESA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1cc(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c([O-])cc1Br ZINC001277191127 1032331528 /nfs/dbraw/zinc/33/15/28/1032331528.db2.gz FNNAGHIQGBRKLN-IBGZPJMESA-N 0 3 395.341 3.544 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276102 1032716142 /nfs/dbraw/zinc/71/61/42/1032716142.db2.gz GSMVDCATCVPFFC-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276102 1032716160 /nfs/dbraw/zinc/71/61/60/1032716160.db2.gz GSMVDCATCVPFFC-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CCCn1ncc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C1CC1 ZINC000931602065 1018012232 /nfs/dbraw/zinc/01/22/32/1018012232.db2.gz AYINTFHAUNDRGS-FQEVSTJZSA-N 0 3 398.555 3.661 20 10 GHCDHN O=C1Nc2ncccc2C2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)O1 ZINC001204321872 1032765971 /nfs/dbraw/zinc/76/59/71/1032765971.db2.gz LSZBXJRHLUGFJM-UHFFFAOYSA-N 0 3 378.476 3.735 20 10 GHCDHN COc1cc(CN(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204349755 1032787434 /nfs/dbraw/zinc/78/74/34/1032787434.db2.gz AOQAEXJXQIYBNF-MRXNPFEDSA-N 0 3 394.512 3.716 20 10 GHCDHN C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O[C@H]2CCN(C)C2)c1 ZINC001228524077 1032970861 /nfs/dbraw/zinc/97/08/61/1032970861.db2.gz YCIBAIWENNPSTQ-MDZRGWNJSA-N 0 3 385.504 3.944 20 10 GHCDHN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001140467847 1021763938 /nfs/dbraw/zinc/76/39/38/1021763938.db2.gz XBNCZMCBEQXCHN-UHFFFAOYSA-N 0 3 392.952 3.974 20 10 GHCDHN CN(C)c1ccc(/C=C\CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000835034969 1021790666 /nfs/dbraw/zinc/79/06/66/1021790666.db2.gz CUZMPYJFWSILSA-JXOZOUPFSA-N 0 3 377.532 3.589 20 10 GHCDHN CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000835037938 1021795264 /nfs/dbraw/zinc/79/52/64/1021795264.db2.gz ZZAVOFQGIKICCU-MZMPXXGTSA-N 0 3 395.547 3.974 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(Cc3ccccc3O2)CC1 ZINC001140664789 1022208597 /nfs/dbraw/zinc/20/85/97/1022208597.db2.gz SAHBRWADOKGWMQ-UHFFFAOYSA-N 0 3 382.479 3.632 20 10 GHCDHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000836089734 1022628548 /nfs/dbraw/zinc/62/85/48/1022628548.db2.gz QNGKLTQBHQTUTJ-FQEVSTJZSA-N 0 3 393.491 3.982 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001140852295 1022701026 /nfs/dbraw/zinc/70/10/26/1022701026.db2.gz IXMQUDHGJJGPHO-RBUKOAKNSA-N 0 3 385.533 3.680 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c(Cl)c1 ZINC001140923537 1022898000 /nfs/dbraw/zinc/89/80/00/1022898000.db2.gz BIKPMHBUSIQISR-OAQYLSRUSA-N 0 3 385.943 3.689 20 10 GHCDHN CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756433917 1023646968 /nfs/dbraw/zinc/64/69/68/1023646968.db2.gz QKSJKVGUFLHJAO-MRXNPFEDSA-N 0 3 389.490 3.659 20 10 GHCDHN CN1CCN(c2ccc(CNc3ncnc4c3ccn4C3CCCC3)cc2)CC1 ZINC001156657212 1033160730 /nfs/dbraw/zinc/16/07/30/1033160730.db2.gz HSBKXFJDGSBDSH-UHFFFAOYSA-N 0 3 390.535 3.910 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000756763248 1023804262 /nfs/dbraw/zinc/80/42/62/1023804262.db2.gz VULJBPTUEZYHBH-OCCSQVGLSA-N 0 3 387.373 3.932 20 10 GHCDHN CCOC(=O)c1coc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)n1 ZINC001138359767 1024723878 /nfs/dbraw/zinc/72/38/78/1024723878.db2.gz YTQBINJKQWTLIZ-UHFFFAOYSA-N 0 3 383.492 3.613 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(OC)c1 ZINC001138388771 1024764919 /nfs/dbraw/zinc/76/49/19/1024764919.db2.gz DAYVWUSDEXWETI-FYYLOGMGSA-N 0 3 388.552 3.701 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccsc2)c(C)n1-c1ccccn1 ZINC000838184896 1024982185 /nfs/dbraw/zinc/98/21/85/1024982185.db2.gz SRPYDKPTYPGSFK-UHFFFAOYSA-N 0 3 382.533 3.755 20 10 GHCDHN COc1ccc(N2CCN(Cc3ccc(-n4ccnc4C)cc3)CC2)c(C)c1 ZINC001138550555 1024999443 /nfs/dbraw/zinc/99/94/43/1024999443.db2.gz WZVVEHGQGHYCMS-UHFFFAOYSA-N 0 3 376.504 3.820 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC000839187898 1025705460 /nfs/dbraw/zinc/70/54/60/1025705460.db2.gz YUVMPSARWMAWBI-FGTMMUONSA-N 0 3 390.524 3.916 20 10 GHCDHN COc1ccc(N2CCN(Cc3ccccc3-n3ccnc3C)CC2)c(C)c1 ZINC001140027679 1026817048 /nfs/dbraw/zinc/81/70/48/1026817048.db2.gz VFSIMMFDKZTNEX-UHFFFAOYSA-N 0 3 376.504 3.820 20 10 GHCDHN CCOCC[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140059971 1026838852 /nfs/dbraw/zinc/83/88/52/1026838852.db2.gz DRBMJJSTMIUUHT-UHFFFAOYSA-N 0 3 396.503 3.769 20 10 GHCDHN CCOCC[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140059971 1026838859 /nfs/dbraw/zinc/83/88/59/1026838859.db2.gz DRBMJJSTMIUUHT-UHFFFAOYSA-N 0 3 396.503 3.769 20 10 GHCDHN CCN1CCN(c2ccc(C[NH2+]Cc3c([O-])cc(C)cc3Cl)cc2F)CC1 ZINC001461167790 1069422948 /nfs/dbraw/zinc/42/29/48/1069422948.db2.gz LHIROANYPUXRDM-UHFFFAOYSA-N 0 3 391.918 3.925 20 10 GHCDHN Cc1ccc(C)c(CN2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c1O ZINC001140180337 1026953216 /nfs/dbraw/zinc/95/32/16/1026953216.db2.gz VJMNCOJBSQMKIA-HSZRJFAPSA-N 0 3 393.487 3.759 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cc(F)ccc3F)CC1)[C@@H](O)CO2 ZINC000840144760 1027277121 /nfs/dbraw/zinc/27/71/21/1027277121.db2.gz SPPKOKSTDSVHEB-FQEVSTJZSA-N 0 3 375.415 3.551 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc3ccn(C)c3c2)N(C)C)cc1 ZINC001203487713 1027377874 /nfs/dbraw/zinc/37/78/74/1027377874.db2.gz FACFIFYCWOIGJL-NRFANRHFSA-N 0 3 379.508 3.669 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccccc3[O-])CC2)c2cc(C)ccc21 ZINC001203552860 1027429945 /nfs/dbraw/zinc/42/99/45/1027429945.db2.gz SYPKHNJQQAHNFH-FQEVSTJZSA-N 0 3 379.504 3.608 20 10 GHCDHN CCOC(=O)c1cc2cc(N3CC[NH+](Cc4ccccc4[O-])CC3)ccc2o1 ZINC001203558573 1027432668 /nfs/dbraw/zinc/43/26/68/1027432668.db2.gz NFTIOEGSVQFTEA-UHFFFAOYSA-N 0 3 380.444 3.637 20 10 GHCDHN CC1CC[NH+](Cc2cccc(CNC(=O)NCc3c([O-])cccc3F)c2)CC1 ZINC001210807022 1027657545 /nfs/dbraw/zinc/65/75/45/1027657545.db2.gz SROVFDFPKPXLKR-UHFFFAOYSA-N 0 3 385.483 3.763 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000840885290 1027922085 /nfs/dbraw/zinc/92/20/85/1027922085.db2.gz WZWCOQATSBIWES-HSZRJFAPSA-N 0 3 394.563 3.839 20 10 GHCDHN CCOc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OC(=O)CC ZINC000840885210 1027923618 /nfs/dbraw/zinc/92/36/18/1027923618.db2.gz WBUFTRSKXCDMFF-UHFFFAOYSA-N 0 3 398.503 3.527 20 10 GHCDHN CS(=O)(=O)CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCC1 ZINC000840890004 1027926057 /nfs/dbraw/zinc/92/60/57/1027926057.db2.gz KPCHCNAKAZKJIY-HXUWFJFHSA-N 0 3 387.545 3.871 20 10 GHCDHN CC1CCN([C@@H](CNC(=O)NCCc2ccc(N)cc2)c2cccs2)CC1 ZINC000841633752 1028793189 /nfs/dbraw/zinc/79/31/89/1028793189.db2.gz ZHFYDILTAZQDQZ-IBGZPJMESA-N 0 3 386.565 3.645 20 10 GHCDHN CC(C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1(O)CCOCC1 ZINC000841889296 1028988456 /nfs/dbraw/zinc/98/84/56/1028988456.db2.gz ASJHXXJSKHFZHF-UHFFFAOYSA-N 0 3 385.504 3.629 20 10 GHCDHN CNC(=O)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842926193 1029692284 /nfs/dbraw/zinc/69/22/84/1029692284.db2.gz BLYZWFBNHWNEHT-OCCSQVGLSA-N 0 3 398.400 3.806 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001223366035 1030540064 /nfs/dbraw/zinc/54/00/64/1030540064.db2.gz IIIQNLWIZHBYMZ-JOCHJYFZSA-N 0 3 392.547 3.669 20 10 GHCDHN COc1ccc(CN2CCN(Cc3cccc4ccccc43)CC2)c(O)c1OC ZINC001205215053 1033309071 /nfs/dbraw/zinc/30/90/71/1033309071.db2.gz CRBKLELBUFSZGK-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN Cc1cc(O)c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)cc1Br ZINC001277426191 1033760741 /nfs/dbraw/zinc/76/07/41/1033760741.db2.gz CAPMEGMGEDPYQP-IAGOWNOFSA-N 0 3 395.341 3.684 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCCC[C@]23CC(=O)N(CC(F)(F)F)C3)c1O ZINC001277437161 1033836374 /nfs/dbraw/zinc/83/63/74/1033836374.db2.gz LZNXMEPMFAUXAS-QGZVFWFLSA-N 0 3 390.833 3.873 20 10 GHCDHN COCCC1([NH2+]Cc2ccc(C)cc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC001207261915 1034220223 /nfs/dbraw/zinc/22/02/23/1034220223.db2.gz UFKHTUSSBPHLAH-UHFFFAOYSA-N 0 3 378.513 3.596 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231468451 1034612306 /nfs/dbraw/zinc/61/23/06/1034612306.db2.gz YVRJBYFMUADLDK-UPVQGACJSA-N 0 3 394.515 3.994 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231468451 1034612308 /nfs/dbraw/zinc/61/23/08/1034612308.db2.gz YVRJBYFMUADLDK-UPVQGACJSA-N 0 3 394.515 3.994 20 10 GHCDHN COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466765 1034612405 /nfs/dbraw/zinc/61/24/05/1034612405.db2.gz FCMKMSBXPDVEGB-DNQXCXABSA-N 0 3 397.515 3.989 20 10 GHCDHN COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466765 1034612409 /nfs/dbraw/zinc/61/24/09/1034612409.db2.gz FCMKMSBXPDVEGB-DNQXCXABSA-N 0 3 397.515 3.989 20 10 GHCDHN O=C(C1CCC1)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001231469271 1034613851 /nfs/dbraw/zinc/61/38/51/1034613851.db2.gz XBSPXAJJJFPTIY-UHFFFAOYSA-N 0 3 394.515 3.806 20 10 GHCDHN O=C1OCCCN1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001231469665 1034615332 /nfs/dbraw/zinc/61/53/32/1034615332.db2.gz QODVXEQXCBSGEA-UHFFFAOYSA-N 0 3 396.487 3.778 20 10 GHCDHN COc1ccc(Br)c(CN2CCC([NH+]3CCCCC3)CC2)c1[O-] ZINC001231547842 1034701942 /nfs/dbraw/zinc/70/19/42/1034701942.db2.gz KIDCJIQHKROKOQ-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC001231553298 1034706054 /nfs/dbraw/zinc/70/60/54/1034706054.db2.gz TZHNEOALSYYQRA-CQSZACIVSA-N 0 3 396.256 3.956 20 10 GHCDHN CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC001231587515 1034739111 /nfs/dbraw/zinc/73/91/11/1034739111.db2.gz DNDSPBUHQGYDIZ-KRWDZBQOSA-N 0 3 386.492 3.661 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001231849692 1034940829 /nfs/dbraw/zinc/94/08/29/1034940829.db2.gz WOXYYRWTELWDTA-SJORKVTESA-N 0 3 391.556 3.886 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001231852761 1034943779 /nfs/dbraw/zinc/94/37/79/1034943779.db2.gz NBMTYCXMOHKKSY-QFIPXVFZSA-N 0 3 399.560 3.760 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)ccc2ccccc21 ZINC001231880004 1034963698 /nfs/dbraw/zinc/96/36/98/1034963698.db2.gz ABPSFQBVBBPSTQ-MTNREXPMSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)ccc2ccccc21 ZINC001231880004 1034963700 /nfs/dbraw/zinc/96/37/00/1034963700.db2.gz ABPSFQBVBBPSTQ-MTNREXPMSA-N 0 3 390.483 3.999 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ncnc2sccc21)c1ccccc1O ZINC001160616093 1035016806 /nfs/dbraw/zinc/01/68/06/1035016806.db2.gz CPVHSUHCCNNERJ-QZTJIDSGSA-N 0 3 378.457 3.956 20 10 GHCDHN CC[C@H]1CCCCN1Cc1cc(I)cc(OC)c1O ZINC001248400874 1035814563 /nfs/dbraw/zinc/81/45/63/1035814563.db2.gz DIXQQXIRLWPYMM-ZDUSSCGKSA-N 0 3 375.250 3.770 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1[O-] ZINC001462037406 1069961093 /nfs/dbraw/zinc/96/10/93/1069961093.db2.gz JATRXQIMWNLRML-OAHLLOKOSA-N 0 3 378.266 3.735 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1[O-] ZINC001462037406 1069961111 /nfs/dbraw/zinc/96/11/11/1069961111.db2.gz JATRXQIMWNLRML-OAHLLOKOSA-N 0 3 378.266 3.735 20 10 GHCDHN Cc1cc(Br)cc(CN2CCCN(c3ccc(F)cn3)CC2)c1O ZINC001233106400 1038894128 /nfs/dbraw/zinc/89/41/28/1038894128.db2.gz GLQCGTKSPGQHMD-UHFFFAOYSA-N 0 3 394.288 3.710 20 10 GHCDHN Cc1cnccc1O[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233111761 1038903099 /nfs/dbraw/zinc/90/30/99/1038903099.db2.gz WRIDSMDMHKIFIX-MRXNPFEDSA-N 0 3 377.282 3.820 20 10 GHCDHN CN1CCC[C@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195703 1038961691 /nfs/dbraw/zinc/96/16/91/1038961691.db2.gz ONHPKYQGPKSDJU-KBXCAEBGSA-N 0 3 375.310 3.834 20 10 GHCDHN CN1CCC[C@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195703 1038961694 /nfs/dbraw/zinc/96/16/94/1038961694.db2.gz ONHPKYQGPKSDJU-KBXCAEBGSA-N 0 3 375.310 3.834 20 10 GHCDHN CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233195055 1038962014 /nfs/dbraw/zinc/96/20/14/1038962014.db2.gz DIKDLTOAIXOVJO-KSSFIOAISA-N 0 3 375.310 3.834 20 10 GHCDHN CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233195055 1038962019 /nfs/dbraw/zinc/96/20/19/1038962019.db2.gz DIKDLTOAIXOVJO-KSSFIOAISA-N 0 3 375.310 3.834 20 10 GHCDHN CN(Cc1cc(C(C)(C)C)ccc1O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233284131 1039057658 /nfs/dbraw/zinc/05/76/58/1039057658.db2.gz JRNUROKGNAQXRS-SFHVURJKSA-N 0 3 392.540 3.757 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1[O-] ZINC001233289755 1039071376 /nfs/dbraw/zinc/07/13/76/1039071376.db2.gz MEOLDZHMWABGST-UHFFFAOYSA-N 0 3 396.878 3.507 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1[O-] ZINC001233289755 1039071394 /nfs/dbraw/zinc/07/13/94/1039071394.db2.gz MEOLDZHMWABGST-UHFFFAOYSA-N 0 3 396.878 3.507 20 10 GHCDHN CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416340 1039272224 /nfs/dbraw/zinc/27/22/24/1039272224.db2.gz FDLYOYASUUWXKX-LJQANCHMSA-N 0 3 386.458 3.734 20 10 GHCDHN CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416340 1039272235 /nfs/dbraw/zinc/27/22/35/1039272235.db2.gz FDLYOYASUUWXKX-LJQANCHMSA-N 0 3 386.458 3.734 20 10 GHCDHN CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416340 1039272247 /nfs/dbraw/zinc/27/22/47/1039272247.db2.gz FDLYOYASUUWXKX-LJQANCHMSA-N 0 3 386.458 3.734 20 10 GHCDHN CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416340 1039272259 /nfs/dbraw/zinc/27/22/59/1039272259.db2.gz FDLYOYASUUWXKX-LJQANCHMSA-N 0 3 386.458 3.734 20 10 GHCDHN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233417187 1039274311 /nfs/dbraw/zinc/27/43/11/1039274311.db2.gz LJIABPMCCKPNQD-XLIONFOSSA-N 0 3 398.469 3.591 20 10 GHCDHN COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233417187 1039274316 /nfs/dbraw/zinc/27/43/16/1039274316.db2.gz LJIABPMCCKPNQD-XLIONFOSSA-N 0 3 398.469 3.591 20 10 GHCDHN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754333 1039592832 /nfs/dbraw/zinc/59/28/32/1039592832.db2.gz DMJCTWBZKHNEBR-GOSISDBHSA-N 0 3 386.414 3.658 20 10 GHCDHN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233754333 1039592841 /nfs/dbraw/zinc/59/28/41/1039592841.db2.gz DMJCTWBZKHNEBR-GOSISDBHSA-N 0 3 386.414 3.658 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1c1ccccc1 ZINC001233775740 1039606163 /nfs/dbraw/zinc/60/61/63/1039606163.db2.gz BLWFAMCKNYORJY-HZPDHXFCSA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1c1ccccc1 ZINC001233775740 1039606169 /nfs/dbraw/zinc/60/61/69/1039606169.db2.gz BLWFAMCKNYORJY-HZPDHXFCSA-N 0 3 395.377 3.679 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4[C@H](NC(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234525780 1040101998 /nfs/dbraw/zinc/10/19/98/1040101998.db2.gz JWJPMQGOEJQZKO-OPVJXMOQSA-N 0 3 384.476 3.509 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4[C@H](NC(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234525780 1040102006 /nfs/dbraw/zinc/10/20/06/1040102006.db2.gz JWJPMQGOEJQZKO-OPVJXMOQSA-N 0 3 384.476 3.509 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]4(C3)COCCN(C(C)C)C4)c2c1 ZINC001234535916 1040108062 /nfs/dbraw/zinc/10/80/62/1040108062.db2.gz IELDYRICYOEQIB-XMMPIXPASA-N 0 3 398.547 3.877 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]4(C3)COCCN(C(C)C)C4)c2c1 ZINC001234535916 1040108068 /nfs/dbraw/zinc/10/80/68/1040108068.db2.gz IELDYRICYOEQIB-XMMPIXPASA-N 0 3 398.547 3.877 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536255 1040108658 /nfs/dbraw/zinc/10/86/58/1040108658.db2.gz MLIFDQABSMLNPQ-SBUREZEXSA-N 0 3 385.504 3.962 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536255 1040108666 /nfs/dbraw/zinc/10/86/66/1040108666.db2.gz MLIFDQABSMLNPQ-SBUREZEXSA-N 0 3 385.504 3.962 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](Oc4ncc(C)cn4)C3)c2c1 ZINC001234568847 1040134473 /nfs/dbraw/zinc/13/44/73/1040134473.db2.gz DTLHLUPGRXVCKN-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](Oc4ncc(C)cn4)C3)c2c1 ZINC001234568847 1040134492 /nfs/dbraw/zinc/13/44/92/1040134492.db2.gz DTLHLUPGRXVCKN-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN CC(C)N1CCC[C@H](Oc2c(O)c(=O)cc3[nH]c(-c4ccccc4)cc(O)c2-3)C1 ZINC001234682272 1040213335 /nfs/dbraw/zinc/21/33/35/1040213335.db2.gz LNRQIGQANIDWNG-INIZCTEOSA-N 0 3 394.471 3.858 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001234993006 1040488171 /nfs/dbraw/zinc/48/81/71/1040488171.db2.gz UXUVZVXUOSUMRH-HSZRJFAPSA-N 0 3 388.511 3.738 20 10 GHCDHN [O-]c1c(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001234993006 1040488186 /nfs/dbraw/zinc/48/81/86/1040488186.db2.gz UXUVZVXUOSUMRH-HSZRJFAPSA-N 0 3 388.511 3.738 20 10 GHCDHN CC[N@H+](Cc1cc(Br)cc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC001235276553 1040751328 /nfs/dbraw/zinc/75/13/28/1040751328.db2.gz TUOAMJWYTGMLHE-UHFFFAOYSA-N 0 3 378.266 3.963 20 10 GHCDHN CC[N@@H+](Cc1cc(Br)cc(C(=O)OC)c1)Cc1ccccc1[O-] ZINC001235276553 1040751344 /nfs/dbraw/zinc/75/13/44/1040751344.db2.gz TUOAMJWYTGMLHE-UHFFFAOYSA-N 0 3 378.266 3.963 20 10 GHCDHN COCCOc1ccc(N2CCN([C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001255720183 1041247644 /nfs/dbraw/zinc/24/76/44/1041247644.db2.gz KITQGORTWCGCNM-WMZOPIPTSA-N 0 3 386.458 3.955 20 10 GHCDHN O=C(CNCc1ccc(OCc2ccccc2)cc1O)Nc1ccc(F)c(F)c1 ZINC001462556354 1070359200 /nfs/dbraw/zinc/35/92/00/1070359200.db2.gz KHQLICKVVMYUMY-UHFFFAOYSA-N 0 3 398.409 3.978 20 10 GHCDHN O=C(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])Nc1ccc(F)c(F)c1 ZINC001462556354 1070359216 /nfs/dbraw/zinc/35/92/16/1070359216.db2.gz KHQLICKVVMYUMY-UHFFFAOYSA-N 0 3 398.409 3.978 20 10 GHCDHN COc1cc(CN2CCC([NH+]3CCCCC3)CC2)c([O-])cc1Br ZINC001236745814 1041870989 /nfs/dbraw/zinc/87/09/89/1041870989.db2.gz RELZRBSICPQXRO-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236806701 1041908124 /nfs/dbraw/zinc/90/81/24/1041908124.db2.gz ACUOBZKRYLKSCK-OAQYLSRUSA-N 0 3 376.497 3.542 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236806701 1041908129 /nfs/dbraw/zinc/90/81/29/1041908129.db2.gz ACUOBZKRYLKSCK-OAQYLSRUSA-N 0 3 376.497 3.542 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001236827761 1041919172 /nfs/dbraw/zinc/91/91/72/1041919172.db2.gz AKHGULIWIQTZRY-GMAHTHKFSA-N 0 3 376.456 3.753 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001236827761 1041919174 /nfs/dbraw/zinc/91/91/74/1041919174.db2.gz AKHGULIWIQTZRY-GMAHTHKFSA-N 0 3 376.456 3.753 20 10 GHCDHN O=C1[C@@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001236829668 1041920828 /nfs/dbraw/zinc/92/08/28/1041920828.db2.gz JKVWMVQCCOBGFJ-IFMALSPDSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001236829668 1041920829 /nfs/dbraw/zinc/92/08/29/1041920829.db2.gz JKVWMVQCCOBGFJ-IFMALSPDSA-N 0 3 390.458 3.775 20 10 GHCDHN COc1ccc(OC)c(CN2CCN(Cc3cc4ccccc4cc3O)CC2)c1 ZINC001236841443 1041924778 /nfs/dbraw/zinc/92/47/78/1041924778.db2.gz KOWCURYEUJWIOG-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CC4(C3)CCCC4)cc2C1 ZINC001236846865 1041926587 /nfs/dbraw/zinc/92/65/87/1041926587.db2.gz LNCNXSWERVRDPB-UHFFFAOYSA-N 0 3 388.508 3.898 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)c([O-])c1 ZINC001237040886 1042000152 /nfs/dbraw/zinc/00/01/52/1042000152.db2.gz LSDIHFHWCPFKHN-GOSISDBHSA-N 0 3 386.536 3.699 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001237041732 1042001328 /nfs/dbraw/zinc/00/13/28/1042001328.db2.gz SSOAIVIYWRDQKL-XMMPIXPASA-N 0 3 394.515 3.724 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001237041732 1042001334 /nfs/dbraw/zinc/00/13/34/1042001334.db2.gz SSOAIVIYWRDQKL-XMMPIXPASA-N 0 3 394.515 3.724 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001237042675 1042002611 /nfs/dbraw/zinc/00/26/11/1042002611.db2.gz JXKLJKKSHLSMOX-QHCPKHFHSA-N 0 3 398.478 3.555 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001237042675 1042002617 /nfs/dbraw/zinc/00/26/17/1042002617.db2.gz JXKLJKKSHLSMOX-QHCPKHFHSA-N 0 3 398.478 3.555 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001237043343 1042002913 /nfs/dbraw/zinc/00/29/13/1042002913.db2.gz QRYFLTLMMLNSSW-MQSCRBSSSA-N 0 3 398.503 3.525 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c([O-])c1 ZINC001237043343 1042002920 /nfs/dbraw/zinc/00/29/20/1042002920.db2.gz QRYFLTLMMLNSSW-MQSCRBSSSA-N 0 3 398.503 3.525 20 10 GHCDHN CCOc1ccc(CN2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(O)c1 ZINC001237046419 1042005081 /nfs/dbraw/zinc/00/50/81/1042005081.db2.gz BZSXNBYVNXKJRA-MRXNPFEDSA-N 0 3 384.451 3.550 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)c([O-])c1 ZINC001237047639 1042006329 /nfs/dbraw/zinc/00/63/29/1042006329.db2.gz DCRUTUUIRXAWFH-HXUWFJFHSA-N 0 3 379.504 3.549 20 10 GHCDHN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237053769 1042012292 /nfs/dbraw/zinc/01/22/92/1042012292.db2.gz QEJXBWZDTHQIRL-UHFFFAOYSA-N 0 3 383.366 3.737 20 10 GHCDHN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237053769 1042012298 /nfs/dbraw/zinc/01/22/98/1042012298.db2.gz QEJXBWZDTHQIRL-UHFFFAOYSA-N 0 3 383.366 3.737 20 10 GHCDHN CC(C)(C)OC(=O)C1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237056832 1042012774 /nfs/dbraw/zinc/01/27/74/1042012774.db2.gz OVZYKZIDDNRWRW-UHFFFAOYSA-N 0 3 389.414 3.887 20 10 GHCDHN CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237056832 1042012780 /nfs/dbraw/zinc/01/27/80/1042012780.db2.gz OVZYKZIDDNRWRW-UHFFFAOYSA-N 0 3 389.414 3.887 20 10 GHCDHN COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055676 1042012839 /nfs/dbraw/zinc/01/28/39/1042012839.db2.gz IIUXOMSAIIJAPM-MRXNPFEDSA-N 0 3 397.393 3.995 20 10 GHCDHN COc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055676 1042012846 /nfs/dbraw/zinc/01/28/46/1042012846.db2.gz IIUXOMSAIIJAPM-MRXNPFEDSA-N 0 3 397.393 3.995 20 10 GHCDHN COc1ccc(C(=O)NC2CC[NH+](Cc3c([O-])ccc(F)c3Cl)CC2)cc1 ZINC001237126679 1042053994 /nfs/dbraw/zinc/05/39/94/1042053994.db2.gz ONVCCMTYGBGIFF-UHFFFAOYSA-N 0 3 392.858 3.588 20 10 GHCDHN O=C1C[C@@H]2[C@H](CCN2Cc2cc(C(F)(F)F)ccc2O)N1c1ccsc1 ZINC001237136814 1042058652 /nfs/dbraw/zinc/05/86/52/1042058652.db2.gz IRZUKMPJCLYFQB-LSDHHAIUSA-N 0 3 382.407 3.852 20 10 GHCDHN CC(C)CN(Cc1ccccc1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237203999 1042089711 /nfs/dbraw/zinc/08/97/11/1042089711.db2.gz XBVTUZWWPOEFQZ-UHFFFAOYSA-N 0 3 386.561 3.580 20 10 GHCDHN Cc1cccc(O)c1CN1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001237488076 1042231775 /nfs/dbraw/zinc/23/17/75/1042231775.db2.gz IMZNBPCMGHLDAW-UHFFFAOYSA-N 0 3 377.488 3.879 20 10 GHCDHN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(C)cccc3[O-])O2)cs1 ZINC001237489524 1042232167 /nfs/dbraw/zinc/23/21/67/1042232167.db2.gz YSXVQNIOQGVFFV-YFVAEKQCSA-N 0 3 388.533 3.804 20 10 GHCDHN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(C)cccc3[O-])O2)cs1 ZINC001237489524 1042232169 /nfs/dbraw/zinc/23/21/69/1042232169.db2.gz YSXVQNIOQGVFFV-YFVAEKQCSA-N 0 3 388.533 3.804 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001237489124 1042232677 /nfs/dbraw/zinc/23/26/77/1042232677.db2.gz VOLTYGYSHUJWKS-QRTHJKPMSA-N 0 3 384.545 3.579 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001237489124 1042232680 /nfs/dbraw/zinc/23/26/80/1042232680.db2.gz VOLTYGYSHUJWKS-QRTHJKPMSA-N 0 3 384.545 3.579 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683983 1042324983 /nfs/dbraw/zinc/32/49/83/1042324983.db2.gz JSECLDODAIIPTB-WMLDXEAASA-N 0 3 377.941 3.907 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001237683983 1042324988 /nfs/dbraw/zinc/32/49/88/1042324988.db2.gz JSECLDODAIIPTB-WMLDXEAASA-N 0 3 377.941 3.907 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684531 1042326110 /nfs/dbraw/zinc/32/61/10/1042326110.db2.gz VJQGOIKCZKVORZ-YOEHRIQHSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684531 1042326113 /nfs/dbraw/zinc/32/61/13/1042326113.db2.gz VJQGOIKCZKVORZ-YOEHRIQHSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)c1[O-] ZINC001238061144 1042479008 /nfs/dbraw/zinc/47/90/08/1042479008.db2.gz NIUTZQHOAVIJGH-FQEVSTJZSA-N 0 3 382.479 3.820 20 10 GHCDHN COc1ccc2c(c1)c1c(n2C)CCN(C2CCN(Cc3ccncc3)CC2)C1 ZINC001256593554 1043559048 /nfs/dbraw/zinc/55/90/48/1043559048.db2.gz UZJMIRFDFWVVJP-UHFFFAOYSA-N 0 3 390.531 3.605 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCCc2cccc(O)c2)N(C)C)cc1 ZINC001304769677 1047764206 /nfs/dbraw/zinc/76/42/06/1047764206.db2.gz XAJJAQQWLNKADW-JOCHJYFZSA-N 0 3 383.536 3.590 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)N(C)C)cc1 ZINC001463282778 1070961343 /nfs/dbraw/zinc/96/13/43/1070961343.db2.gz PMYKFEZVWUMBMK-KURKYZTESA-N 0 3 385.474 3.840 20 10 GHCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CCCCC1 ZINC001307566084 1049407407 /nfs/dbraw/zinc/40/74/07/1049407407.db2.gz GRMHTWQVVJELDE-WOJBJXKFSA-N 0 3 388.508 3.527 20 10 GHCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CCCCC1 ZINC001307566084 1049407414 /nfs/dbraw/zinc/40/74/14/1049407414.db2.gz GRMHTWQVVJELDE-WOJBJXKFSA-N 0 3 388.508 3.527 20 10 GHCDHN COc1cccc2c1CC[C@@]2(CO)NCc1ccc(N2CCCCC2)c(C)c1 ZINC001308032504 1049783167 /nfs/dbraw/zinc/78/31/67/1049783167.db2.gz FPAQJZXWLKNYJQ-DEOSSOPVSA-N 0 3 380.532 3.918 20 10 GHCDHN COC1(OC)CCOC[C@H]1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001308507444 1049993294 /nfs/dbraw/zinc/99/32/94/1049993294.db2.gz KORIIFDOBMPIPU-GOSISDBHSA-N 0 3 379.541 3.855 20 10 GHCDHN COC(=O)c1[nH]c2ccccc2c1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC001308580474 1050017755 /nfs/dbraw/zinc/01/77/55/1050017755.db2.gz SVIMPBROBCBPEG-UHFFFAOYSA-N 0 3 393.487 3.675 20 10 GHCDHN COc1cc(C)c(C)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001310989445 1051754298 /nfs/dbraw/zinc/75/42/98/1051754298.db2.gz PVPARFVHJLNDIN-HXUWFJFHSA-N 0 3 384.524 3.802 20 10 GHCDHN CCC1(CC)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCS1 ZINC001313416939 1053048426 /nfs/dbraw/zinc/04/84/26/1053048426.db2.gz PPQRDJYZQRQZPP-LJQANCHMSA-N 0 3 392.613 3.673 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1[O-] ZINC000848517525 1057144668 /nfs/dbraw/zinc/14/46/68/1057144668.db2.gz FEPSKQSOVNZJNU-JTQLQIEISA-N 0 3 399.251 3.698 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ncoc2-c2ccc(F)cc2)N(C)C)cc1 ZINC001439960214 1058366491 /nfs/dbraw/zinc/36/64/91/1058366491.db2.gz KWZFIMQMIVSMRB-IBGZPJMESA-N 0 3 396.466 3.579 20 10 GHCDHN Cc1cccc2c(CCC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c21 ZINC001439960818 1058367080 /nfs/dbraw/zinc/36/70/80/1058367080.db2.gz OKRBKKBZAAEDRR-QFIPXVFZSA-N 0 3 392.547 3.894 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)N(C)C)cc1 ZINC001439962947 1058371662 /nfs/dbraw/zinc/37/16/62/1058371662.db2.gz YGHQTACLGCLDOD-QGZVFWFLSA-N 0 3 397.416 3.943 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1[O-] ZINC001339285766 1059068957 /nfs/dbraw/zinc/06/89/57/1059068957.db2.gz DWSMYZVOOZMMMD-ZFWWWQNUSA-N 0 3 386.330 3.539 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)N(C)C)cc1 ZINC001200086574 1065173409 /nfs/dbraw/zinc/17/34/09/1065173409.db2.gz COYBKSLYZGWIKQ-NRFANRHFSA-N 0 3 392.507 3.567 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765257121 1068112418 /nfs/dbraw/zinc/11/24/18/1068112418.db2.gz WILYDTCWSWNCIN-RXVVDRJESA-N 0 3 396.491 3.537 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765257120 1068112574 /nfs/dbraw/zinc/11/25/74/1068112574.db2.gz WILYDTCWSWNCIN-NQIIRXRSSA-N 0 3 396.491 3.537 20 10 GHCDHN CCCCOc1ccccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001473950684 1074215908 /nfs/dbraw/zinc/21/59/08/1074215908.db2.gz SOBCAURGEUSMIR-OAQYLSRUSA-N 0 3 395.547 3.857 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001473996391 1074229782 /nfs/dbraw/zinc/22/97/82/1074229782.db2.gz UINMMJNDFWTHHC-UHFFFAOYSA-N 0 3 391.462 3.734 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1[O-] ZINC001474700792 1074524187 /nfs/dbraw/zinc/52/41/87/1074524187.db2.gz YVQQKQODYALMKY-AWEZNQCLSA-N 0 3 385.302 3.562 20 10 GHCDHN Cc1nc(CC2CCN(Cc3cc(Br)cc(C)c3O)CC2)no1 ZINC001474716644 1074531080 /nfs/dbraw/zinc/53/10/80/1074531080.db2.gz AHJNGQFHOQKUFU-UHFFFAOYSA-N 0 3 380.286 3.609 20 10 GHCDHN Cc1nc(CC2CC[NH+](Cc3cc(Br)cc(C)c3[O-])CC2)no1 ZINC001474716644 1074531087 /nfs/dbraw/zinc/53/10/87/1074531087.db2.gz AHJNGQFHOQKUFU-UHFFFAOYSA-N 0 3 380.286 3.609 20 10 GHCDHN COc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160205821 834513664 /nfs/dbraw/zinc/51/36/64/834513664.db2.gz NZMHUAKYBLAAAU-OAQYLSRUSA-N 0 3 393.487 3.972 20 10 GHCDHN COc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160205821 834513669 /nfs/dbraw/zinc/51/36/69/834513669.db2.gz NZMHUAKYBLAAAU-OAQYLSRUSA-N 0 3 393.487 3.972 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1O ZINC000177087259 835825488 /nfs/dbraw/zinc/82/54/88/835825488.db2.gz KKCFABZFKLDNOR-ZDUSSCGKSA-N 0 3 380.916 3.621 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C(F)(F)F)o1 ZINC000891249550 839327177 /nfs/dbraw/zinc/32/71/77/839327177.db2.gz ULFTZDMZWZZFRV-INIZCTEOSA-N 0 3 383.414 3.706 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000728791583 841819478 /nfs/dbraw/zinc/81/94/78/841819478.db2.gz CYOKOVDHBQNGGK-MRXNPFEDSA-N 0 3 399.560 3.591 20 10 GHCDHN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093454610 842144017 /nfs/dbraw/zinc/14/40/17/842144017.db2.gz DWDOJFHPDWLJMV-QFIPXVFZSA-N 0 3 377.488 3.738 20 10 GHCDHN C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000158426009 846948466 /nfs/dbraw/zinc/94/84/66/846948466.db2.gz GPSQDEUCFCQONN-FQEVSTJZSA-N 0 3 393.579 3.675 20 10 GHCDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000503395269 847658779 /nfs/dbraw/zinc/65/87/79/847658779.db2.gz VAHOIOUKSGXYAG-HXUWFJFHSA-N 0 3 394.519 3.597 20 10 GHCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000733298660 862846245 /nfs/dbraw/zinc/84/62/45/862846245.db2.gz DLSWXZQELJFBRQ-QGZVFWFLSA-N 0 3 396.597 3.501 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850652 860005613 /nfs/dbraw/zinc/00/56/13/860005613.db2.gz DOFFCKUAJSIQPV-OLMNPRSZSA-N 0 3 376.497 3.505 20 10 GHCDHN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000184961937 865088490 /nfs/dbraw/zinc/08/84/90/865088490.db2.gz IAUHALMHANBWRA-QGZVFWFLSA-N 0 3 388.533 3.513 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)cc1 ZINC000741074019 866219305 /nfs/dbraw/zinc/21/93/05/866219305.db2.gz GGJCQNYSXNGOJU-HSZRJFAPSA-N 0 3 392.547 3.727 20 10 GHCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1cccc(Br)c1 ZINC000920432839 882123341 /nfs/dbraw/zinc/12/33/41/882123341.db2.gz GKYNYRSXKHRXPS-UHFFFAOYSA-N 0 3 390.325 3.682 20 10 GHCDHN CCN1CCN(c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)CC1 ZINC000743312057 868063036 /nfs/dbraw/zinc/06/30/36/868063036.db2.gz CLZSNWQOLNKBOO-UHFFFAOYSA-N 0 3 378.520 3.681 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000743869880 868466863 /nfs/dbraw/zinc/46/68/63/868466863.db2.gz DKQDIMOEYMRHIM-INIZCTEOSA-N 0 3 384.476 3.726 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC)c1ccc(Cl)cc1)cc2=O ZINC000122227981 869159213 /nfs/dbraw/zinc/15/92/13/869159213.db2.gz OJOUORBDORAFDF-MRXNPFEDSA-N 0 3 388.855 3.506 20 10 GHCDHN CN(C(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1)[C@@H]1CCCN(C)C1 ZINC000793607011 882317292 /nfs/dbraw/zinc/31/72/92/882317292.db2.gz YIUCDPAXUGOXAD-LJQANCHMSA-N 0 3 387.911 3.824 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000745743613 869797533 /nfs/dbraw/zinc/79/75/33/869797533.db2.gz FCYKXNCGRKCHQX-UHFFFAOYSA-N 0 3 382.552 3.805 20 10 GHCDHN COc1cc(O)c(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1OC ZINC000775654337 872389029 /nfs/dbraw/zinc/38/90/29/872389029.db2.gz ZLAYBYZZKZJVMA-SFHVURJKSA-N 0 3 399.491 3.586 20 10 GHCDHN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775657687 872425173 /nfs/dbraw/zinc/42/51/73/872425173.db2.gz GOMNJDREHNIGPT-QHCPKHFHSA-N 0 3 389.547 3.662 20 10 GHCDHN COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000768162615 873124279 /nfs/dbraw/zinc/12/42/79/873124279.db2.gz SBPJXFYHAUQPDS-LAUBAEHRSA-N 0 3 399.487 3.514 20 10 GHCDHN COC(=O)[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000768162615 873124286 /nfs/dbraw/zinc/12/42/86/873124286.db2.gz SBPJXFYHAUQPDS-LAUBAEHRSA-N 0 3 399.487 3.514 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768439422 873302812 /nfs/dbraw/zinc/30/28/12/873302812.db2.gz LOWLOZYTVDYMEL-DNVCBOLYSA-N 0 3 375.852 3.515 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768439422 873302826 /nfs/dbraw/zinc/30/28/26/873302826.db2.gz LOWLOZYTVDYMEL-DNVCBOLYSA-N 0 3 375.852 3.515 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3nc4ccccc4s3)CC1)[C@H](O)CO2 ZINC000768438637 873304020 /nfs/dbraw/zinc/30/40/20/873304020.db2.gz WKKLNSLGHOIFEP-GOSISDBHSA-N 0 3 382.485 3.807 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)[C@@H](O)CO2 ZINC000768439716 873305741 /nfs/dbraw/zinc/30/57/41/873305741.db2.gz MSPZGBFXZIAHRM-YJYMSZOUSA-N 0 3 377.843 3.818 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)[C@@H](O)CO2 ZINC000768439716 873305759 /nfs/dbraw/zinc/30/57/59/873305759.db2.gz MSPZGBFXZIAHRM-YJYMSZOUSA-N 0 3 377.843 3.818 20 10 GHCDHN O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768781041 873574763 /nfs/dbraw/zinc/57/47/63/873574763.db2.gz IMDLVFSOWAYPKM-UHFFFAOYSA-N 0 3 392.421 3.950 20 10 GHCDHN CN(C)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000527813313 873599803 /nfs/dbraw/zinc/59/98/03/873599803.db2.gz ZOXSPFPCHGPEJU-HNNXBMFYSA-N 0 3 383.275 3.820 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccccc3N(C)C)cc2F)CC1 ZINC000769685497 874205974 /nfs/dbraw/zinc/20/59/74/874205974.db2.gz BUSRSAMVBPWIBN-SFHVURJKSA-N 0 3 384.543 3.884 20 10 GHCDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386016 874612822 /nfs/dbraw/zinc/61/28/22/874612822.db2.gz LXKJVBRXMBBJBT-GGAORHGYSA-N 0 3 377.488 3.881 20 10 GHCDHN Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000770386016 874612828 /nfs/dbraw/zinc/61/28/28/874612828.db2.gz LXKJVBRXMBBJBT-GGAORHGYSA-N 0 3 377.488 3.881 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC000858105725 882851558 /nfs/dbraw/zinc/85/15/58/882851558.db2.gz MMKXOPTVUMGJBO-UHFFFAOYSA-N 0 3 380.410 3.840 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3c[nH]nc3-c3cccnc3)cc2F)C[C@@H](C)O1 ZINC001199413525 874976759 /nfs/dbraw/zinc/97/67/59/874976759.db2.gz PUGSVJYVCPAFDM-HZPDHXFCSA-N 0 3 395.482 3.514 20 10 GHCDHN CCCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC001199581519 875055799 /nfs/dbraw/zinc/05/57/99/875055799.db2.gz GJXSOFBLBKOUMK-QGZVFWFLSA-N 0 3 390.549 3.885 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cc(F)ccc2Cl)N(C)C)cc1 ZINC001199797693 875192111 /nfs/dbraw/zinc/19/21/11/875192111.db2.gz PJIBMBYVARGEPL-SFHVURJKSA-N 0 3 378.879 3.970 20 10 GHCDHN Cc1ccc2ncc(C[NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)n2c1 ZINC000771962271 875579746 /nfs/dbraw/zinc/57/97/46/875579746.db2.gz GJRXHJSFROJXRU-SFHVURJKSA-N 0 3 384.911 3.756 20 10 GHCDHN Cc1c(Br)cncc1CNCc1ccc(N2CCSCC2)cc1 ZINC000850033483 876617852 /nfs/dbraw/zinc/61/78/52/876617852.db2.gz BDQYEASYRHPHCA-UHFFFAOYSA-N 0 3 392.366 3.996 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000850565176 877030405 /nfs/dbraw/zinc/03/04/05/877030405.db2.gz BXQORSDDWGUVPV-GOSISDBHSA-N 0 3 393.531 3.625 20 10 GHCDHN C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373216 879078585 /nfs/dbraw/zinc/07/85/85/879078585.db2.gz YBHWKWPSPWAGQL-OXJNMPFZSA-N 0 3 399.922 3.633 20 10 GHCDHN COc1ccc(CNCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1C ZINC000790606988 879860553 /nfs/dbraw/zinc/86/05/53/879860553.db2.gz IDVGIHDJXJMFDN-HSZRJFAPSA-N 0 3 393.487 3.518 20 10 GHCDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000858542936 883186045 /nfs/dbraw/zinc/18/60/45/883186045.db2.gz OKPSOBOEPNJRML-KRWDZBQOSA-N 0 3 397.544 3.853 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000919785882 886363833 /nfs/dbraw/zinc/36/38/33/886363833.db2.gz MGKNOGSUGPTCJO-GHTZIAJQSA-N 0 3 380.536 3.730 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1[O-] ZINC001184314187 913123178 /nfs/dbraw/zinc/12/31/78/913123178.db2.gz HZACOQGHOMFNJW-HNNXBMFYSA-N 0 3 382.888 3.543 20 10 GHCDHN CCOC(=O)c1ccn(-c2cccc(CNCc3ccc(N(C)C)c(F)c3)c2)n1 ZINC000809762758 887804818 /nfs/dbraw/zinc/80/48/18/887804818.db2.gz ZIUDBWVSIAANAJ-UHFFFAOYSA-N 0 3 396.466 3.544 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000809779009 887831826 /nfs/dbraw/zinc/83/18/26/887831826.db2.gz AOBHAOQFHLESOT-CQSZACIVSA-N 0 3 384.701 3.982 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000809793533 887847731 /nfs/dbraw/zinc/84/77/31/887847731.db2.gz YZXSZFAJBGCPKY-NFBKMPQASA-N 0 3 377.440 3.555 20 10 GHCDHN CC[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(C)cc1[O-] ZINC000794810246 888154711 /nfs/dbraw/zinc/15/47/11/888154711.db2.gz KOTASGCDQAEYKQ-KRWDZBQOSA-N 0 3 391.309 3.934 20 10 GHCDHN Cc1cc(C(=O)CN2CC[C@H]3CN(C)C[C@@H]32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000794948314 889036153 /nfs/dbraw/zinc/03/61/53/889036153.db2.gz ILVPMPJERZWHBS-YWZLYKJASA-N 0 3 389.902 3.705 20 10 GHCDHN O[C@@H](c1ccccc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000124590755 891705349 /nfs/dbraw/zinc/70/53/49/891705349.db2.gz SVZRTVDGWXKTLB-QHCPKHFHSA-N 0 3 384.495 3.608 20 10 GHCDHN COc1cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000825710741 891964152 /nfs/dbraw/zinc/96/41/52/891964152.db2.gz ZNYZCHGGBVFJHO-PXAZEXFGSA-N 0 3 375.431 3.834 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)N(C)C)cc1 ZINC001134686468 893201224 /nfs/dbraw/zinc/20/12/24/893201224.db2.gz LBBNKEUICVLOOL-BRWVUGGUSA-N 0 3 391.968 3.990 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2coc(C3CCCCC3)n2)N(C)C)cc1 ZINC001134686430 893201406 /nfs/dbraw/zinc/20/14/06/893201406.db2.gz KDHPBRSKQADEEO-FQEVSTJZSA-N 0 3 384.524 3.821 20 10 GHCDHN CC[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001134681838 893217734 /nfs/dbraw/zinc/21/77/34/893217734.db2.gz JWSORRVHZYIHGY-YADHBBJMSA-N 0 3 383.536 3.674 20 10 GHCDHN C[C@H](NCc1ccnc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000815082500 893431247 /nfs/dbraw/zinc/43/12/47/893431247.db2.gz VEKCTXKGAMWVRB-AWEZNQCLSA-N 0 3 376.298 3.532 20 10 GHCDHN C[C@H](CCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881823 893503681 /nfs/dbraw/zinc/50/36/81/893503681.db2.gz IBULZZISFYQYCL-VGSWGCGISA-N 0 3 385.527 3.880 20 10 GHCDHN OCC1([C@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ccccc2)CCC1 ZINC000877549857 893681818 /nfs/dbraw/zinc/68/18/18/893681818.db2.gz ROFWSRXEPGUHPX-HSZRJFAPSA-N 0 3 380.532 3.641 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000774854619 913802485 /nfs/dbraw/zinc/80/24/85/913802485.db2.gz YEISRVIZCDRENW-VQIMIIECSA-N 0 3 399.491 3.966 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000774854619 913802506 /nfs/dbraw/zinc/80/25/06/913802506.db2.gz YEISRVIZCDRENW-VQIMIIECSA-N 0 3 399.491 3.966 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1[O-] ZINC000879647424 895201375 /nfs/dbraw/zinc/20/13/75/895201375.db2.gz BUYVQARSBPETEA-VQIMIIECSA-N 0 3 396.487 3.568 20 10 GHCDHN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000816949841 895209073 /nfs/dbraw/zinc/20/90/73/895209073.db2.gz GKTZUBYLXHDZIV-IIBYNOLFSA-N 0 3 377.492 3.944 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000303057096 914253773 /nfs/dbraw/zinc/25/37/73/914253773.db2.gz WYQQSYQYNLHDCG-NRFANRHFSA-N 0 3 383.536 3.585 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1[O-] ZINC000155347066 898656890 /nfs/dbraw/zinc/65/68/90/898656890.db2.gz OMUXLRHVOJWGRF-LJQANCHMSA-N 0 3 376.522 3.664 20 10 GHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001137204661 899373878 /nfs/dbraw/zinc/37/38/78/899373878.db2.gz KYTHGMWMYPJIJR-ROUUACIJSA-N 0 3 389.565 3.775 20 10 GHCDHN COc1cc(O)c(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1OC ZINC000824672656 899756274 /nfs/dbraw/zinc/75/62/74/899756274.db2.gz DXRRAUOYAYSQEI-OAHLLOKOSA-N 0 3 385.382 3.642 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824695904 899771923 /nfs/dbraw/zinc/77/19/23/899771923.db2.gz DKSJRVFMRLHRFJ-OAGGEKHMSA-N 0 3 384.314 3.679 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824695904 899771927 /nfs/dbraw/zinc/77/19/27/899771927.db2.gz DKSJRVFMRLHRFJ-OAGGEKHMSA-N 0 3 384.314 3.679 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c1[O-] ZINC000824738325 899773294 /nfs/dbraw/zinc/77/32/94/899773294.db2.gz LNOXTJGDCLZZAG-UHFFFAOYSA-N 0 3 376.888 3.906 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c1[O-] ZINC000824738325 899773298 /nfs/dbraw/zinc/77/32/98/899773298.db2.gz LNOXTJGDCLZZAG-UHFFFAOYSA-N 0 3 376.888 3.906 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC=C(c3cn(C(C)C)nn3)CC2)c1O ZINC000824738325 899773304 /nfs/dbraw/zinc/77/33/04/899773304.db2.gz LNOXTJGDCLZZAG-UHFFFAOYSA-N 0 3 376.888 3.906 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(CCN(C)C)C2CCCC2)c1 ZINC001144198215 901239266 /nfs/dbraw/zinc/23/92/66/901239266.db2.gz YEONAIHOAQUNND-UHFFFAOYSA-N 0 3 381.520 3.853 20 10 GHCDHN CC(C)C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccn1 ZINC000886746904 901250979 /nfs/dbraw/zinc/25/09/79/901250979.db2.gz FRAYPTBHLBQKNY-QFIPXVFZSA-N 0 3 380.536 3.660 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1[O-] ZINC000290107930 914527384 /nfs/dbraw/zinc/52/73/84/914527384.db2.gz HZUHSHWVZJEFRX-UHFFFAOYSA-N 0 3 376.298 3.748 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000846051949 902637303 /nfs/dbraw/zinc/63/73/03/902637303.db2.gz NNTHGZUIJMBIHI-UHFFFAOYSA-N 0 3 396.579 3.689 20 10 GHCDHN COCCOc1ncccc1CN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000779001542 902720916 /nfs/dbraw/zinc/72/09/16/902720916.db2.gz ACKBXIUAXFTKRE-ZDUSSCGKSA-N 0 3 395.297 3.734 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000779007718 902725451 /nfs/dbraw/zinc/72/54/51/902725451.db2.gz YXRCFBJGGXROAP-ZNMIVQPWSA-N 0 3 385.346 3.613 20 10 GHCDHN C[C@H](NCc1ccc(-c2nncnn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209012 902757241 /nfs/dbraw/zinc/75/72/41/902757241.db2.gz OOLNRNUGTDWSNQ-INIZCTEOSA-N 0 3 392.482 3.914 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846216138 902791958 /nfs/dbraw/zinc/79/19/58/902791958.db2.gz QACCAAPKOFMSFT-MLGOLLRUSA-N 0 3 391.309 3.890 20 10 GHCDHN CN1CCN(CCCSc2ncc(-c3ccccc3)n2CC(F)(F)F)CC1 ZINC000130728855 903014564 /nfs/dbraw/zinc/01/45/64/903014564.db2.gz DGCFWTDBPDAQGK-UHFFFAOYSA-N 0 3 398.498 3.842 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000151541812 904153333 /nfs/dbraw/zinc/15/33/33/904153333.db2.gz DGKIOOJSNPALBB-FQEVSTJZSA-N 0 3 387.455 3.936 20 10 GHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCCO2 ZINC000151560738 904156371 /nfs/dbraw/zinc/15/63/71/904156371.db2.gz JMQFTSIKOJSHFM-HSZRJFAPSA-N 0 3 396.531 3.907 20 10 GHCDHN CC[C@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000773038932 904395268 /nfs/dbraw/zinc/39/52/68/904395268.db2.gz KUZIVRAOZRRNDV-FCHUYYIVSA-N 0 3 397.519 3.616 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000801549014 921122043 /nfs/dbraw/zinc/12/20/43/921122043.db2.gz AVEIJQNLHJEZFI-UHFFFAOYSA-N 0 3 395.547 3.977 20 10 GHCDHN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000779191584 905268045 /nfs/dbraw/zinc/26/80/45/905268045.db2.gz SQAHAHKIOKURFC-ZDUSSCGKSA-N 0 3 399.329 3.810 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000178266626 906317730 /nfs/dbraw/zinc/31/77/30/906317730.db2.gz XAIFZNNSNFONGZ-HZPDHXFCSA-N 0 3 386.467 3.845 20 10 GHCDHN COc1cc(O)c(CNC2(c3cccc(Br)c3)CC2)cc1OC ZINC000182455327 907209584 /nfs/dbraw/zinc/20/95/84/907209584.db2.gz LTDXKECGWWJDGE-UHFFFAOYSA-N 0 3 378.266 3.951 20 10 GHCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1[O-] ZINC000186127574 907882271 /nfs/dbraw/zinc/88/22/71/907882271.db2.gz HUEMPHHAWNGZQF-KKXDTOCCSA-N 0 3 397.357 3.573 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439928 908163881 /nfs/dbraw/zinc/16/38/81/908163881.db2.gz RHSQELLTQZKXDW-GOSISDBHSA-N 0 3 380.257 3.696 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439928 908163891 /nfs/dbraw/zinc/16/38/91/908163891.db2.gz RHSQELLTQZKXDW-GOSISDBHSA-N 0 3 380.257 3.696 20 10 GHCDHN CN(C)c1ccc(CN(C)C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 ZINC001179844916 909765716 /nfs/dbraw/zinc/76/57/16/909765716.db2.gz GZOKIDSJRGZZMS-GOSISDBHSA-N 0 3 377.529 3.556 20 10 GHCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859481 909784175 /nfs/dbraw/zinc/78/41/75/909784175.db2.gz PNTRXAAZTDDZHD-LSDHHAIUSA-N 0 3 397.357 3.980 20 10 GHCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001179859481 909784181 /nfs/dbraw/zinc/78/41/81/909784181.db2.gz PNTRXAAZTDDZHD-LSDHHAIUSA-N 0 3 397.357 3.980 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1F ZINC000092056104 911382769 /nfs/dbraw/zinc/38/27/69/911382769.db2.gz QBSUBOWSYGSIRP-UHFFFAOYSA-N 0 3 375.532 3.896 20 10 GHCDHN COc1cc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(O)cc1C ZINC000795633181 911500847 /nfs/dbraw/zinc/50/08/47/911500847.db2.gz DLJZBRXCSGICML-OAQYLSRUSA-N 0 3 396.531 3.813 20 10 GHCDHN c1cc2c(c([C@@H]3CCCN3Cc3ccc(N4CCOCC4)cc3)c1)OCCO2 ZINC000092968677 911974039 /nfs/dbraw/zinc/97/40/39/911974039.db2.gz QOSPCHMQLWGSGY-NRFANRHFSA-N 0 3 380.488 3.632 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1[O-] ZINC001182910814 912139564 /nfs/dbraw/zinc/13/95/64/912139564.db2.gz QNBOCZIVZBJLIV-IBGZPJMESA-N 0 3 376.294 3.947 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1[O-] ZINC001182910814 912139569 /nfs/dbraw/zinc/13/95/69/912139569.db2.gz QNBOCZIVZBJLIV-IBGZPJMESA-N 0 3 376.294 3.947 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC000294840886 917007557 /nfs/dbraw/zinc/00/75/57/917007557.db2.gz OFIBAIAAGUTZEJ-UHFFFAOYSA-N 0 3 398.576 3.764 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cnn(C2CCCC2)c1 ZINC000800476348 920156148 /nfs/dbraw/zinc/15/61/48/920156148.db2.gz JQURZLDQOSBAPF-MJGOQNOKSA-N 0 3 395.551 3.551 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000800528661 920245424 /nfs/dbraw/zinc/24/54/24/920245424.db2.gz SYPBVNCDUURDGW-CQSZACIVSA-N 0 3 375.900 3.967 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000800528661 920245436 /nfs/dbraw/zinc/24/54/36/920245436.db2.gz SYPBVNCDUURDGW-CQSZACIVSA-N 0 3 375.900 3.967 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000800993065 920676084 /nfs/dbraw/zinc/67/60/84/920676084.db2.gz ILZGIALGDJKFER-SUMDDJOVSA-N 0 3 382.479 3.903 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1[O-] ZINC000903172875 922830064 /nfs/dbraw/zinc/83/00/64/922830064.db2.gz GUWIGALWZZMLQN-AWEZNQCLSA-N 0 3 396.940 3.596 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(CCO)cc2)c1[O-] ZINC000903403154 922994323 /nfs/dbraw/zinc/99/43/23/922994323.db2.gz OCECYYSTECKPCJ-LBPRGKRZSA-N 0 3 380.282 3.549 20 10 GHCDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000826904303 924348067 /nfs/dbraw/zinc/34/80/67/924348067.db2.gz ZXXGNHKQJAULQX-DWLFOUALSA-N 0 3 385.504 3.627 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000757690520 929772258 /nfs/dbraw/zinc/77/22/58/929772258.db2.gz VVQHJQGRZZKSRV-GOSISDBHSA-N 0 3 397.910 3.585 20 10 GHCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800277 929804965 /nfs/dbraw/zinc/80/49/65/929804965.db2.gz YQENKOAWAZAGAM-JTSKRJEESA-N 0 3 396.535 3.540 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759568514 930406979 /nfs/dbraw/zinc/40/69/79/930406979.db2.gz GNRJOVPYOLZYSD-DOTOQJQBSA-N 0 3 390.578 3.760 20 10 GHCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1[O-] ZINC000690673299 930608367 /nfs/dbraw/zinc/60/83/67/930608367.db2.gz SPFZTSUPMXGUKO-NVXWUHKLSA-N 0 3 376.497 3.601 20 10 GHCDHN COC[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000783969839 931734683 /nfs/dbraw/zinc/73/46/83/931734683.db2.gz YBFGSZKHSPQAAY-WFASDCNBSA-N 0 3 380.282 3.544 20 10 GHCDHN COC[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000783969839 931734686 /nfs/dbraw/zinc/73/46/86/931734686.db2.gz YBFGSZKHSPQAAY-WFASDCNBSA-N 0 3 380.282 3.544 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000784621700 931960554 /nfs/dbraw/zinc/96/05/54/931960554.db2.gz UMMLOMWPSOEDPZ-JOCHJYFZSA-N 0 3 386.561 3.770 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)s1 ZINC000797138995 932198512 /nfs/dbraw/zinc/19/85/12/932198512.db2.gz CFJUKAOHVCGYTB-SRRSOLGSSA-N 0 3 392.500 3.746 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000927070083 932399503 /nfs/dbraw/zinc/39/95/03/932399503.db2.gz NNRFKORUZQBCFA-ZBEGNZNMSA-N 0 3 382.302 3.945 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000798935638 932823130 /nfs/dbraw/zinc/82/31/30/932823130.db2.gz QEKFIEIOAJCEGH-UZUQRXQVSA-N 0 3 382.504 3.742 20 10 GHCDHN COC(=O)C[C@@H]1CSCCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001204238265 1032683161 /nfs/dbraw/zinc/68/31/61/1032683161.db2.gz QAFDPGPRTZNYMO-GOSISDBHSA-N 0 3 390.574 3.865 20 10 GHCDHN COc1cc(CN2CC[C@H](c3ccc(Br)cc3)C2)cc(O)c1O ZINC001204346006 1032785587 /nfs/dbraw/zinc/78/55/87/1032785587.db2.gz ZZCGLYGKUDCEJE-AWEZNQCLSA-N 0 3 378.266 3.858 20 10 GHCDHN O=C(N1CCC[C@@H](C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1)C(F)(F)F ZINC000827401237 1022143636 /nfs/dbraw/zinc/14/36/36/1022143636.db2.gz OWORPWBIOIJJBV-CQSZACIVSA-N 0 3 388.405 3.544 20 10 GHCDHN CCC[N@@H+](Cc1ccc(O)c(C)c1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140749629 1022427411 /nfs/dbraw/zinc/42/74/11/1022427411.db2.gz HACAZRMUYSSSFW-MRXNPFEDSA-N 0 3 378.513 3.875 20 10 GHCDHN CCC[N@H+](Cc1ccc(O)c(C)c1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140749629 1022427418 /nfs/dbraw/zinc/42/74/18/1022427418.db2.gz HACAZRMUYSSSFW-MRXNPFEDSA-N 0 3 378.513 3.875 20 10 GHCDHN COc1cc(C)cc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000754723674 1022860006 /nfs/dbraw/zinc/86/00/06/1022860006.db2.gz SLKSTBDWTFWEBU-UHFFFAOYSA-N 0 3 388.895 3.711 20 10 GHCDHN COCCC[N@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140950926 1022975763 /nfs/dbraw/zinc/97/57/63/1022975763.db2.gz PGANYISTRJSGNA-LJQANCHMSA-N 0 3 392.540 3.939 20 10 GHCDHN COCCC[N@@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140950926 1022975768 /nfs/dbraw/zinc/97/57/68/1022975768.db2.gz PGANYISTRJSGNA-LJQANCHMSA-N 0 3 392.540 3.939 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c([O-])c1 ZINC001140952216 1022980060 /nfs/dbraw/zinc/98/00/60/1022980060.db2.gz IUVYYGWHKYUDSO-DEOSSOPVSA-N 0 3 378.516 3.758 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c([O-])c1 ZINC001140952216 1022980063 /nfs/dbraw/zinc/98/00/63/1022980063.db2.gz IUVYYGWHKYUDSO-DEOSSOPVSA-N 0 3 378.516 3.758 20 10 GHCDHN COc1ccc(CN2CC[C@]3(CCC[N@H+](Cc4ccc(C)cc4[O-])C3)C2=O)cc1 ZINC001140952427 1022981833 /nfs/dbraw/zinc/98/18/33/1022981833.db2.gz ROKIPGGPJIRAQG-DEOSSOPVSA-N 0 3 394.515 3.724 20 10 GHCDHN COc1ccc(CN2CC[C@]3(CCC[N@@H+](Cc4ccc(C)cc4[O-])C3)C2=O)cc1 ZINC001140952427 1022981835 /nfs/dbraw/zinc/98/18/35/1022981835.db2.gz ROKIPGGPJIRAQG-DEOSSOPVSA-N 0 3 394.515 3.724 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c(OC)c1 ZINC001141031806 1023298076 /nfs/dbraw/zinc/29/80/76/1023298076.db2.gz MCPRLEAMJSJNOL-LSDHHAIUSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c(OC)c1 ZINC001141031806 1023298089 /nfs/dbraw/zinc/29/80/89/1023298089.db2.gz MCPRLEAMJSJNOL-LSDHHAIUSA-N 0 3 394.512 3.535 20 10 GHCDHN Cc1nccnc1O[C@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141079190 1023444901 /nfs/dbraw/zinc/44/49/01/1023444901.db2.gz WGIUKUIZUGNLND-NRFANRHFSA-N 0 3 378.520 3.527 20 10 GHCDHN CN1CCOc2cc(CN3CCC(N4Cc5ccccc5NC4=O)CC3)ccc21 ZINC001141143115 1023577673 /nfs/dbraw/zinc/57/76/73/1023577673.db2.gz OECVIUOEZGQVRC-UHFFFAOYSA-N 0 3 392.503 3.527 20 10 GHCDHN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756442162 1023651731 /nfs/dbraw/zinc/65/17/31/1023651731.db2.gz AHIRFMSDJCYYBC-CXAGYDPISA-N 0 3 392.496 3.556 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)c2c1c(F)ccc2[O-] ZINC000756736062 1023793181 /nfs/dbraw/zinc/79/31/81/1023793181.db2.gz KYZYIEPHASIJDA-MNEFBYGVSA-N 0 3 382.479 3.903 20 10 GHCDHN Cc1c(CN2CCN(c3ccc(Br)cn3)CC2)c2ccccc2n1C ZINC001138252972 1024472277 /nfs/dbraw/zinc/47/22/77/1024472277.db2.gz YPMNJJNTCHCVOG-UHFFFAOYSA-N 0 3 399.336 3.966 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(N4CCCC4)c3)c2)CC1 ZINC000832345205 1025460727 /nfs/dbraw/zinc/46/07/27/1025460727.db2.gz FTOISPJWDWPFMK-UHFFFAOYSA-N 0 3 378.520 3.681 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1O ZINC000839148691 1025646263 /nfs/dbraw/zinc/64/62/63/1025646263.db2.gz KOXWUHMXWVBCHE-INIZCTEOSA-N 0 3 389.389 3.915 20 10 GHCDHN CC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC001461086320 1069381839 /nfs/dbraw/zinc/38/18/39/1069381839.db2.gz CIHXHLHEXBQZEF-FQEVSTJZSA-N 0 3 393.487 3.952 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001140053956 1026833333 /nfs/dbraw/zinc/83/33/33/1026833333.db2.gz GGZKEZHRGRNVSS-JOCHJYFZSA-N 0 3 388.458 3.789 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001140053956 1026833344 /nfs/dbraw/zinc/83/33/44/1026833344.db2.gz GGZKEZHRGRNVSS-JOCHJYFZSA-N 0 3 388.458 3.789 20 10 GHCDHN CCOc1cccc(CN2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001203617161 1027480093 /nfs/dbraw/zinc/48/00/93/1027480093.db2.gz KKBXNXUYYKIEHH-CQSZACIVSA-N 0 3 397.397 3.643 20 10 GHCDHN CCOc1cccc(CN2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c1O ZINC001203617881 1027480298 /nfs/dbraw/zinc/48/02/98/1027480298.db2.gz WZSNDMBEOXSWCT-SFHVURJKSA-N 0 3 381.476 3.803 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cc(F)ccc1OC ZINC001203739726 1027563879 /nfs/dbraw/zinc/56/38/79/1027563879.db2.gz ISRFVCSBPZUZFP-HXUWFJFHSA-N 0 3 389.490 3.966 20 10 GHCDHN Oc1ccc(CN2CCC3(CCn4c(-c5ccccc5)cnc43)CC2)cc1O ZINC001203876312 1027675825 /nfs/dbraw/zinc/67/58/25/1027675825.db2.gz ACCKNXWENFZZGP-UHFFFAOYSA-N 0 3 375.472 3.899 20 10 GHCDHN CN(C)c1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001203932117 1027724921 /nfs/dbraw/zinc/72/49/21/1027724921.db2.gz SGZTZBJPSXQJRN-OAQYLSRUSA-N 0 3 386.490 3.885 20 10 GHCDHN Cc1cc(O)c(CNc2ccc(OCCN3CCN(C)CC3)cc2)c(Cl)c1 ZINC000840902262 1027935809 /nfs/dbraw/zinc/93/58/09/1027935809.db2.gz SILIUAZEOGTJBM-UHFFFAOYSA-N 0 3 389.927 3.592 20 10 GHCDHN CCOc1ccc(CNCc2cc(Cl)cc(S(=O)(=O)CC)c2)c(O)c1 ZINC000840956498 1027985503 /nfs/dbraw/zinc/98/55/03/1027985503.db2.gz UKQNVLVACCLCCX-UHFFFAOYSA-N 0 3 383.897 3.528 20 10 GHCDHN COc1cc(Br)cc(CN2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000840968970 1028004245 /nfs/dbraw/zinc/00/42/45/1028004245.db2.gz FWNXFHKFTPEQHE-QGZVFWFLSA-N 0 3 384.314 3.800 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000840973866 1028013268 /nfs/dbraw/zinc/01/32/68/1028013268.db2.gz PYYMSJVZAKROKW-MRXNPFEDSA-N 0 3 383.458 3.748 20 10 GHCDHN CN(C)c1cc(F)c(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC001461507895 1069582377 /nfs/dbraw/zinc/58/23/77/1069582377.db2.gz RTELJRJRZHSPDK-QGZVFWFLSA-N 0 3 390.352 3.753 20 10 GHCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001222659597 1030264120 /nfs/dbraw/zinc/26/41/20/1030264120.db2.gz IATRHUDQEIAFHH-AWEZNQCLSA-N 0 3 382.348 3.917 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N(C)C)cc1 ZINC001223474829 1030589933 /nfs/dbraw/zinc/58/99/33/1030589933.db2.gz LMFFXUICGURFGK-QFIPXVFZSA-N 0 3 395.547 3.936 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2-c2ncco2)N(C)C)cc1 ZINC001219578529 1031509374 /nfs/dbraw/zinc/50/93/74/1031509374.db2.gz IOMLIYJYBPRISI-HXUWFJFHSA-N 0 3 393.491 3.832 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001220212631 1031839461 /nfs/dbraw/zinc/83/94/61/1031839461.db2.gz QMTOUAJZAADMNU-WBVHZDCISA-N 0 3 395.890 3.603 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)N(C)C)cc1 ZINC001205470338 1033427298 /nfs/dbraw/zinc/42/72/98/1033427298.db2.gz OFOJXTKQHVNPKW-RTBURBONSA-N 0 3 390.478 3.661 20 10 GHCDHN CC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860888 1069799612 /nfs/dbraw/zinc/79/96/12/1069799612.db2.gz COYCHODYUXMOGU-YJBOKZPZSA-N 0 3 378.513 3.834 20 10 GHCDHN CC[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860888 1069799625 /nfs/dbraw/zinc/79/96/25/1069799625.db2.gz COYCHODYUXMOGU-YJBOKZPZSA-N 0 3 378.513 3.834 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2OC(F)F)N(C)C)cc1 ZINC001206212543 1033766126 /nfs/dbraw/zinc/76/61/26/1033766126.db2.gz VWKWJWNPCFZLAY-KRWDZBQOSA-N 0 3 392.450 3.778 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)N(C)C)cc1 ZINC001158717626 1034243015 /nfs/dbraw/zinc/24/30/15/1034243015.db2.gz PZLDPZIZDNRZNR-QFIPXVFZSA-N 0 3 394.494 3.920 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001207370010 1034312651 /nfs/dbraw/zinc/31/26/51/1034312651.db2.gz JFCOUWIZISJLSM-GOSISDBHSA-N 0 3 380.536 3.778 20 10 GHCDHN COc1ccc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c([O-])c1OC ZINC001461899066 1069857822 /nfs/dbraw/zinc/85/78/22/1069857822.db2.gz IOONZZGQCPUSDX-UHFFFAOYSA-N 0 3 381.476 3.864 20 10 GHCDHN COc1ccc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c([O-])c1OC ZINC001461899066 1069857838 /nfs/dbraw/zinc/85/78/38/1069857838.db2.gz IOONZZGQCPUSDX-UHFFFAOYSA-N 0 3 381.476 3.864 20 10 GHCDHN CCN1CCC2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)C1=O ZINC001231469383 1034613959 /nfs/dbraw/zinc/61/39/59/1034613959.db2.gz BOGGGXYBPNWJBZ-UHFFFAOYSA-N 0 3 394.515 3.806 20 10 GHCDHN Cc1cncnc1O[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468925 1034614254 /nfs/dbraw/zinc/61/42/54/1034614254.db2.gz IZGANVJJJBINIL-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468925 1034614263 /nfs/dbraw/zinc/61/42/63/1034614263.db2.gz IZGANVJJJBINIL-OAQYLSRUSA-N 0 3 391.471 3.723 20 10 GHCDHN COc1ccc(Br)c(CN2CCC(C)([NH+]3CCCC3)CC2)c1[O-] ZINC001231554928 1034708709 /nfs/dbraw/zinc/70/87/09/1034708709.db2.gz FQPNMQQKTRGCCM-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231561820 1034712520 /nfs/dbraw/zinc/71/25/20/1034712520.db2.gz AIRUCISXOMHOIB-FQEVSTJZSA-N 0 3 384.476 3.560 20 10 GHCDHN COc1cc(CN2CCC[C@@H](OCc3ccc(Cl)cc3)C2)c(O)cc1O ZINC001231635270 1034794926 /nfs/dbraw/zinc/79/49/26/1034794926.db2.gz DQSDGGIPACHBPD-QGZVFWFLSA-N 0 3 377.868 3.941 20 10 GHCDHN Cc1cc(C)c(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001231843937 1034937558 /nfs/dbraw/zinc/93/75/58/1034937558.db2.gz DDJKOKUPEDIHLR-IEIRFRATSA-N 0 3 382.504 3.600 20 10 GHCDHN CCCc1noc([C@H]2CCCN(Cc3c4ccccc4n(C)c3C(=O)OC)C2)n1 ZINC001232405379 1038189298 /nfs/dbraw/zinc/18/92/98/1038189298.db2.gz JIWSQASNASBGCM-HNNXBMFYSA-N 0 3 396.491 3.680 20 10 GHCDHN COc1cccc(O[C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233111431 1038902424 /nfs/dbraw/zinc/90/24/24/1038902424.db2.gz NOSJOZPOEHZUKC-HNNXBMFYSA-N 0 3 393.281 3.520 20 10 GHCDHN CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]2CCCC[C@@H]12 ZINC001233287697 1039065543 /nfs/dbraw/zinc/06/55/43/1039065543.db2.gz CXGUJAZENNSSBA-XYPHTWIQSA-N 0 3 381.900 3.856 20 10 GHCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]2CCCC[C@@H]12 ZINC001233287697 1039065559 /nfs/dbraw/zinc/06/55/59/1039065559.db2.gz CXGUJAZENNSSBA-XYPHTWIQSA-N 0 3 381.900 3.856 20 10 GHCDHN CCOC[C@H]1COCCC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001233289353 1039071783 /nfs/dbraw/zinc/07/17/83/1039071783.db2.gz SWNDONMSEFJPGN-INIZCTEOSA-N 0 3 383.916 3.709 20 10 GHCDHN Oc1cc(O)c(CN2CCC[C@@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC001233485060 1039381485 /nfs/dbraw/zinc/38/14/85/1039381485.db2.gz HDSYSAULDHEPPI-OAHLLOKOSA-N 0 3 383.366 3.866 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]4(CCCCN4C(C)=O)C3)c2c1 ZINC001234544944 1040115016 /nfs/dbraw/zinc/11/50/16/1040115016.db2.gz NURXNVYHOHBDCB-HSZRJFAPSA-N 0 3 382.504 3.921 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]4(CCCCN4C(C)=O)C3)c2c1 ZINC001234544944 1040115021 /nfs/dbraw/zinc/11/50/21/1040115021.db2.gz NURXNVYHOHBDCB-HSZRJFAPSA-N 0 3 382.504 3.921 20 10 GHCDHN COC[C@H]1COCCC12CC[NH+](Cc1c([O-])ccc3ccc(OC)cc31)CC2 ZINC001234544293 1040115408 /nfs/dbraw/zinc/11/54/08/1040115408.db2.gz GYMJWRMVNXKLBY-SFHVURJKSA-N 0 3 385.504 3.819 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC(=O)N(CC5CC5)C4)CC3)c2c1 ZINC001234568877 1040135346 /nfs/dbraw/zinc/13/53/46/1040135346.db2.gz GPTLPQBSZMQOCL-UHFFFAOYSA-N 0 3 394.515 3.779 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2ccccc21 ZINC001234569916 1040138639 /nfs/dbraw/zinc/13/86/39/1040138639.db2.gz ULRGUAPAJUZALE-NRFANRHFSA-N 0 3 377.440 3.826 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2ccccc21 ZINC001234569916 1040138660 /nfs/dbraw/zinc/13/86/60/1040138660.db2.gz ULRGUAPAJUZALE-NRFANRHFSA-N 0 3 377.440 3.826 20 10 GHCDHN CCc1ccc2oc(-c3ccc(O)c(O)c3)c(O[C@H](C)CN(C)C)c(=O)c2c1 ZINC001234677691 1040210681 /nfs/dbraw/zinc/21/06/81/1040210681.db2.gz OQCUPUVCIJQRLH-CYBMUJFWSA-N 0 3 383.444 3.763 20 10 GHCDHN CCOC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234987785 1040482970 /nfs/dbraw/zinc/48/29/70/1040482970.db2.gz KGTIVPMSNRZGHQ-GOSISDBHSA-N 0 3 377.488 3.924 20 10 GHCDHN CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234987785 1040482976 /nfs/dbraw/zinc/48/29/76/1040482976.db2.gz KGTIVPMSNRZGHQ-GOSISDBHSA-N 0 3 377.488 3.924 20 10 GHCDHN COC(=O)c1cc(Br)cc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001235287017 1040758671 /nfs/dbraw/zinc/75/86/71/1040758671.db2.gz OZNOVRRZKXZRIQ-UHFFFAOYSA-N 0 3 391.309 3.934 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c([O-])c1 ZINC001235681112 1041145351 /nfs/dbraw/zinc/14/53/51/1041145351.db2.gz FHUMCMXVGZKCGG-NQIIRXRSSA-N 0 3 396.506 3.919 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c([O-])c1 ZINC001235681112 1041145390 /nfs/dbraw/zinc/14/53/90/1041145390.db2.gz FHUMCMXVGZKCGG-NQIIRXRSSA-N 0 3 396.506 3.919 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](c3ccccc3)C2)N(C)C)cc1 ZINC001256232799 1041668105 /nfs/dbraw/zinc/66/81/05/1041668105.db2.gz URFOBEYCASZPCE-IFMALSPDSA-N 0 3 380.536 3.554 20 10 GHCDHN C[C@H](Cc1ccsc1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236620 1041670242 /nfs/dbraw/zinc/67/02/42/1041670242.db2.gz IIEVPUNCUZKDLZ-OXQOHEQNSA-N 0 3 388.581 3.689 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC001236662243 1041810158 /nfs/dbraw/zinc/81/01/58/1041810158.db2.gz AWJWLVMVXZZOLP-UHFFFAOYSA-N 0 3 390.325 3.566 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC001236662243 1041810161 /nfs/dbraw/zinc/81/01/61/1041810161.db2.gz AWJWLVMVXZZOLP-UHFFFAOYSA-N 0 3 390.325 3.566 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)c([O-])c1 ZINC001236785061 1041890460 /nfs/dbraw/zinc/89/04/60/1041890460.db2.gz DWESJFWCPRISNX-HSZRJFAPSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)c([O-])c1 ZINC001236785061 1041890471 /nfs/dbraw/zinc/89/04/71/1041890471.db2.gz DWESJFWCPRISNX-HSZRJFAPSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)COCCN(c2nccs2)C3)c([O-])c1 ZINC001236788933 1041894422 /nfs/dbraw/zinc/89/44/22/1041894422.db2.gz XLMMJEZBIOREHQ-UHFFFAOYSA-N 0 3 387.549 3.530 20 10 GHCDHN COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236810188 1041910715 /nfs/dbraw/zinc/91/07/15/1041910715.db2.gz CTFPBUJRFDWPIS-MUJYYYPQSA-N 0 3 376.497 3.729 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001236810188 1041910717 /nfs/dbraw/zinc/91/07/17/1041910717.db2.gz CTFPBUJRFDWPIS-MUJYYYPQSA-N 0 3 376.497 3.729 20 10 GHCDHN COc1cc(C)c(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c(O)c1 ZINC001236812140 1041911480 /nfs/dbraw/zinc/91/14/80/1041911480.db2.gz WOVZRCHNIPVFDA-FDDCHVKYSA-N 0 3 398.503 3.554 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001236828731 1041919760 /nfs/dbraw/zinc/91/97/60/1041919760.db2.gz FJEUMWBOYIJVFA-OEMFJLHTSA-N 0 3 390.483 3.889 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC001236834368 1041922303 /nfs/dbraw/zinc/92/23/03/1041922303.db2.gz XDYWOEPJSLHUAL-UHFFFAOYSA-N 0 3 376.456 3.639 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc(O)c(CN3CCCC[C@@H](F)C3)cc2C1 ZINC001236849455 1041927097 /nfs/dbraw/zinc/92/70/97/1041927097.db2.gz YRVDMWNXCYIPAC-QGZVFWFLSA-N 0 3 394.487 3.846 20 10 GHCDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236939518 1041965568 /nfs/dbraw/zinc/96/55/68/1041965568.db2.gz RUPAGUZNQFOEOH-QFIPXVFZSA-N 0 3 383.511 3.923 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001237041490 1042001389 /nfs/dbraw/zinc/00/13/89/1042001389.db2.gz MFTHQAQRVFKWHZ-CDNPAEQRSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001237041490 1042001393 /nfs/dbraw/zinc/00/13/93/1042001393.db2.gz MFTHQAQRVFKWHZ-CDNPAEQRSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001237042131 1042002020 /nfs/dbraw/zinc/00/20/20/1042002020.db2.gz WUSAGLZTASBJTB-DNQXCXABSA-N 0 3 394.515 3.555 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c([O-])c1 ZINC001237042131 1042002028 /nfs/dbraw/zinc/00/20/28/1042002028.db2.gz WUSAGLZTASBJTB-DNQXCXABSA-N 0 3 394.515 3.555 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237047688 1042006166 /nfs/dbraw/zinc/00/61/66/1042006166.db2.gz NOAKIRPMDGUYDU-NRFANRHFSA-N 0 3 378.513 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237047688 1042006171 /nfs/dbraw/zinc/00/61/71/1042006171.db2.gz NOAKIRPMDGUYDU-NRFANRHFSA-N 0 3 378.513 3.918 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([O-])c1 ZINC001237049197 1042007243 /nfs/dbraw/zinc/00/72/43/1042007243.db2.gz UDQCPZCVMWQUEB-AKFKNWHVSA-N 0 3 395.547 3.774 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([O-])c1 ZINC001237049197 1042007246 /nfs/dbraw/zinc/00/72/46/1042007246.db2.gz UDQCPZCVMWQUEB-AKFKNWHVSA-N 0 3 395.547 3.774 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237048273 1042007419 /nfs/dbraw/zinc/00/74/19/1042007419.db2.gz IZWBDQSIDUGYSH-XMMPIXPASA-N 0 3 393.531 3.925 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c([O-])c1 ZINC001237048273 1042007426 /nfs/dbraw/zinc/00/74/26/1042007426.db2.gz IZWBDQSIDUGYSH-XMMPIXPASA-N 0 3 393.531 3.925 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049376 1042009395 /nfs/dbraw/zinc/00/93/95/1042009395.db2.gz VWYPKGYXTCMTDH-NZQKXSOJSA-N 0 3 396.535 3.566 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049376 1042009402 /nfs/dbraw/zinc/00/94/02/1042009402.db2.gz VWYPKGYXTCMTDH-NZQKXSOJSA-N 0 3 396.535 3.566 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c([O-])c1 ZINC001237054368 1042012309 /nfs/dbraw/zinc/01/23/09/1042012309.db2.gz WYVHQHQNQRXVDE-UHFFFAOYSA-N 0 3 378.516 3.970 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c(Br)c1 ZINC001237068086 1042018063 /nfs/dbraw/zinc/01/80/63/1042018063.db2.gz MVNVRZYXJLPLJY-CYBMUJFWSA-N 0 3 393.281 3.520 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c(Br)c1 ZINC001237068086 1042018064 /nfs/dbraw/zinc/01/80/64/1042018064.db2.gz MVNVRZYXJLPLJY-CYBMUJFWSA-N 0 3 393.281 3.520 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC[C@@](C)(F)CC3)cc2Br)CC1 ZINC001237091016 1042031392 /nfs/dbraw/zinc/03/13/92/1042031392.db2.gz VRZDJDDGOVPHEY-LJQANCHMSA-N 0 3 398.364 3.915 20 10 GHCDHN COC[C@H]1COCCC12CC[NH+](Cc1c([O-])cccc1OC(F)(F)F)CC2 ZINC001237111077 1042043578 /nfs/dbraw/zinc/04/35/78/1042043578.db2.gz NMZGBPXCFLBQJD-AWEZNQCLSA-N 0 3 389.414 3.556 20 10 GHCDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237138008 1042059844 /nfs/dbraw/zinc/05/98/44/1042059844.db2.gz XBGCASKGZSYHRP-LJQANCHMSA-N 0 3 382.426 3.636 20 10 GHCDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237138008 1042059852 /nfs/dbraw/zinc/05/98/52/1042059852.db2.gz XBGCASKGZSYHRP-LJQANCHMSA-N 0 3 382.426 3.636 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(Cc3ccccc3N2)CC1 ZINC001237342992 1042158042 /nfs/dbraw/zinc/15/80/42/1042158042.db2.gz LRWOJZGZGUXMIC-UHFFFAOYSA-N 0 3 381.495 3.665 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)cc1Br ZINC001237677403 1042318218 /nfs/dbraw/zinc/31/82/18/1042318218.db2.gz MOZYMEUJPDUFMF-IAQYHMDHSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)cc1Br ZINC001237677403 1042318220 /nfs/dbraw/zinc/31/82/20/1042318220.db2.gz MOZYMEUJPDUFMF-IAQYHMDHSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1Br ZINC001237677879 1042319195 /nfs/dbraw/zinc/31/91/95/1042319195.db2.gz QZGRXKKTSCAPMU-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCCN(c3ccccn3)CC2)cc1Br ZINC001237677879 1042319201 /nfs/dbraw/zinc/31/92/01/1042319201.db2.gz QZGRXKKTSCAPMU-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c1[O-] ZINC001237679117 1042320827 /nfs/dbraw/zinc/32/08/27/1042320827.db2.gz GMEOJJVCDMOVRB-LPHOPBHVSA-N 0 3 388.870 3.584 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c1[O-] ZINC001237679117 1042320835 /nfs/dbraw/zinc/32/08/35/1042320835.db2.gz GMEOJJVCDMOVRB-LPHOPBHVSA-N 0 3 388.870 3.584 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)c1[O-] ZINC001237687688 1042327855 /nfs/dbraw/zinc/32/78/55/1042327855.db2.gz RUSOKFCDLXADKJ-UFYCRDLUSA-N 0 3 399.922 3.896 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)c1[O-] ZINC001237687688 1042327859 /nfs/dbraw/zinc/32/78/59/1042327859.db2.gz RUSOKFCDLXADKJ-UFYCRDLUSA-N 0 3 399.922 3.896 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1[O-] ZINC001237687107 1042327971 /nfs/dbraw/zinc/32/79/71/1042327971.db2.gz WRHRLRGEAVKTOK-UHFFFAOYSA-N 0 3 387.911 3.620 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1Oc1cnccn1 ZINC001238013114 1042459171 /nfs/dbraw/zinc/45/91/71/1042459171.db2.gz CMRZZGLBGKUCLK-UHFFFAOYSA-N 0 3 390.487 3.738 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001257795273 1044179469 /nfs/dbraw/zinc/17/94/69/1044179469.db2.gz BDXJPVRWYAZJCK-IIBYNOLFSA-N 0 3 376.497 3.757 20 10 GHCDHN COc1cc([O-])c(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)cc1Cl ZINC001279571290 1047841937 /nfs/dbraw/zinc/84/19/37/1047841937.db2.gz GIQLBGAYGCTUNK-UHFFFAOYSA-N 0 3 392.849 3.904 20 10 GHCDHN COc1cc([O-])c(CN2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)cc1Cl ZINC001279571290 1047841945 /nfs/dbraw/zinc/84/19/45/1047841945.db2.gz GIQLBGAYGCTUNK-UHFFFAOYSA-N 0 3 392.849 3.904 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2scnc2C2CCCC2)N(C)C)cc1 ZINC001463279414 1070958801 /nfs/dbraw/zinc/95/88/01/1070958801.db2.gz IDRMJCWZECTWLX-GOSISDBHSA-N 0 3 386.565 3.899 20 10 GHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCCc2ccccc21 ZINC001307566066 1049407699 /nfs/dbraw/zinc/40/76/99/1049407699.db2.gz GQFQETQTCJMYRG-OAQYLSRUSA-N 0 3 394.515 3.743 20 10 GHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCCc2ccccc21 ZINC001307566066 1049407703 /nfs/dbraw/zinc/40/77/03/1049407703.db2.gz GQFQETQTCJMYRG-OAQYLSRUSA-N 0 3 394.515 3.743 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CNCC(=O)NCc2ccccc2)cc1 ZINC001308197245 1049909025 /nfs/dbraw/zinc/90/90/25/1049909025.db2.gz IZSBWJPCTKTZPA-UHFFFAOYSA-N 0 3 379.529 3.791 20 10 GHCDHN CN(C)C(=O)O[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001308774990 1050089613 /nfs/dbraw/zinc/08/96/13/1050089613.db2.gz XMHZGPMTCMQNKI-FQEVSTJZSA-N 0 3 384.476 3.634 20 10 GHCDHN Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)c([O-])c1 ZINC001308936045 1050196262 /nfs/dbraw/zinc/19/62/62/1050196262.db2.gz LFMNOMLSPKTKAJ-SFHVURJKSA-N 0 3 390.524 3.596 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000757998515 1051789696 /nfs/dbraw/zinc/78/96/96/1051789696.db2.gz NIZPHNYDXOUTAE-QGTPRVQTSA-N 0 3 376.497 3.526 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000757998515 1051789709 /nfs/dbraw/zinc/78/97/09/1051789709.db2.gz NIZPHNYDXOUTAE-QGTPRVQTSA-N 0 3 376.497 3.526 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)c(C(F)(F)F)c1 ZINC001322401848 1056677702 /nfs/dbraw/zinc/67/77/02/1056677702.db2.gz IBWZQOHXNDNAMX-HNNXBMFYSA-N 0 3 380.458 3.960 20 10 GHCDHN COC(=O)c1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001322476053 1056721756 /nfs/dbraw/zinc/72/17/56/1056721756.db2.gz PESQBRLMQPPVOX-IBGZPJMESA-N 0 3 388.895 3.586 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1[O-] ZINC000848517528 1057144704 /nfs/dbraw/zinc/14/47/04/1057144704.db2.gz FEPSKQSOVNZJNU-SNVBAGLBSA-N 0 3 399.251 3.698 20 10 GHCDHN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])cc1 ZINC000848517850 1057144761 /nfs/dbraw/zinc/14/47/61/1057144761.db2.gz GXBXAMVCJOAYQI-BZNIZROVSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1[O-] ZINC000848524183 1057147870 /nfs/dbraw/zinc/14/78/70/1057147870.db2.gz CMHSGOLDOLWERF-IUCAKERBSA-N 0 3 386.208 3.781 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c1[O-] ZINC000848525567 1057149436 /nfs/dbraw/zinc/14/94/36/1057149436.db2.gz NUYUUPZAPUGALZ-ZDUSSCGKSA-N 0 3 391.309 3.830 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1[O-] ZINC000848529001 1057151623 /nfs/dbraw/zinc/15/16/23/1057151623.db2.gz PWHBZFVXCOINKK-DZGCQCFKSA-N 0 3 394.309 3.980 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@H](CO)c2ccc(F)cc2)c1O ZINC000848532890 1057154156 /nfs/dbraw/zinc/15/41/56/1057154156.db2.gz CTNVPJSROSHNFS-ZUZCIYMTSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1[O-] ZINC000848534899 1057156527 /nfs/dbraw/zinc/15/65/27/1057156527.db2.gz WFKGMZCIYDQZSL-IIYDPXPESA-N 0 3 394.309 3.979 20 10 GHCDHN CCc1cccc(CNCC(=O)Nc2ccc(Br)cc2C)c1O ZINC000848894507 1057402808 /nfs/dbraw/zinc/40/28/08/1057402808.db2.gz JOIPWGJKFGXIPV-UHFFFAOYSA-N 0 3 377.282 3.754 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2SCCc3ccccc32)N(C)C)cc1 ZINC001439961796 1058370341 /nfs/dbraw/zinc/37/03/41/1058370341.db2.gz SPJXRMOXKZXHEV-NHCUHLMSSA-N 0 3 383.561 3.502 20 10 GHCDHN CN(C)Cc1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1Cl ZINC001339824460 1059502829 /nfs/dbraw/zinc/50/28/29/1059502829.db2.gz JBSHSBGVRQPXRV-UHFFFAOYSA-N 0 3 390.934 3.905 20 10 GHCDHN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC[C@@H]3CCCCN32)cc1 ZINC001452604664 1060970677 /nfs/dbraw/zinc/97/06/77/1060970677.db2.gz AQVAXKGYBRUJEX-ROUUACIJSA-N 0 3 383.458 3.660 20 10 GHCDHN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCC(F)(F)F ZINC001347781092 1062659709 /nfs/dbraw/zinc/65/97/09/1062659709.db2.gz AQTOODIVIRLMAG-ZDUSSCGKSA-N 0 3 385.455 3.541 20 10 GHCDHN Cc1sc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1C(C)C ZINC001456930541 1062921613 /nfs/dbraw/zinc/92/16/13/1062921613.db2.gz HURWURCHBINPTI-SFHVURJKSA-N 0 3 388.581 3.603 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)N(C)C)cc1 ZINC001472281285 1073397079 /nfs/dbraw/zinc/39/70/79/1073397079.db2.gz UKRYSVQTKPKSFX-HXUWFJFHSA-N 0 3 384.911 3.920 20 10 GHCDHN CCN(C)c1ccc(CN(CCC(=O)OC)Cc2ccc(F)c(F)c2)cc1 ZINC001473167583 1073825659 /nfs/dbraw/zinc/82/56/59/1073825659.db2.gz IHBLHPRADUHPKP-UHFFFAOYSA-N 0 3 376.447 3.986 20 10 GHCDHN COc1cccc2cc(CNCc3ccc(N4CCN(C)CC4)c(F)c3)oc21 ZINC001473975581 1074223271 /nfs/dbraw/zinc/22/32/71/1074223271.db2.gz DRTSBHPSQIZPGH-UHFFFAOYSA-N 0 3 383.467 3.622 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1[O-] ZINC000359864270 209195513 /nfs/dbraw/zinc/19/55/13/209195513.db2.gz ATSMWZYILKNCQK-SJCJKPOMSA-N 0 3 395.956 3.819 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000376507417 837719348 /nfs/dbraw/zinc/71/93/48/837719348.db2.gz VMMLVMUAFTWRIV-FQEVSTJZSA-N 0 3 397.515 3.989 20 10 GHCDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000363817772 839082286 /nfs/dbraw/zinc/08/22/86/839082286.db2.gz HNJIHGINVOEXSA-OXJNMPFZSA-N 0 3 386.515 3.733 20 10 GHCDHN Cc1occ(C(F)(F)F)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248529 839319675 /nfs/dbraw/zinc/31/96/75/839319675.db2.gz YESRUXXSSVZHIP-INIZCTEOSA-N 0 3 383.414 3.706 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cc(=O)oc4cc(OC)ccc34)CC2)cc1 ZINC000053772463 840695134 /nfs/dbraw/zinc/69/51/34/840695134.db2.gz MIFNGNRXYRMIMI-UHFFFAOYSA-N 0 3 394.471 3.523 20 10 GHCDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000278997655 842441808 /nfs/dbraw/zinc/44/18/08/842441808.db2.gz FJXPBCVSTBJFGN-LLVKDONJSA-N 0 3 378.270 3.667 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000127916580 847649770 /nfs/dbraw/zinc/64/97/70/847649770.db2.gz QLXFQOKLXJBVIE-QHCPKHFHSA-N 0 3 390.531 3.699 20 10 GHCDHN C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1 ZINC000732241186 862148785 /nfs/dbraw/zinc/14/87/85/862148785.db2.gz DRHMPLYXXBKRMD-IBGZPJMESA-N 0 3 380.536 3.607 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1ccccc1[O-] ZINC000156922478 854494097 /nfs/dbraw/zinc/49/40/97/854494097.db2.gz YNHSMFXYEQSCRI-FQEVSTJZSA-N 0 3 388.533 3.559 20 10 GHCDHN CCN1CCN(CCNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000733161931 862768500 /nfs/dbraw/zinc/76/85/00/862768500.db2.gz NFYGGOMAPKSLIS-UHFFFAOYSA-N 0 3 396.579 3.585 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000761195998 859071152 /nfs/dbraw/zinc/07/11/52/859071152.db2.gz QXTIZUPRLRWINE-CYBMUJFWSA-N 0 3 384.904 3.791 20 10 GHCDHN C[C@@H](NCc1ccc(-n2cncn2)nc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764956573 859698404 /nfs/dbraw/zinc/69/84/04/859698404.db2.gz SKAHQAOGVAYSNQ-MRXNPFEDSA-N 0 3 380.471 3.643 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCSc4ccccc43)cc2)C1 ZINC000765246833 859864660 /nfs/dbraw/zinc/86/46/60/859864660.db2.gz XPNDPRBWTQFOLT-FXAWDEMLSA-N 0 3 381.545 3.715 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000765379488 859941650 /nfs/dbraw/zinc/94/16/50/859941650.db2.gz GSEQIBSIZGXLHE-ZDUSSCGKSA-N 0 3 376.298 3.804 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765486353 859993106 /nfs/dbraw/zinc/99/31/06/859993106.db2.gz WVCWKLPISLVVCE-CQSZACIVSA-N 0 3 394.487 3.916 20 10 GHCDHN CCCN(CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1ccccc1O ZINC000727830687 860282535 /nfs/dbraw/zinc/28/25/35/860282535.db2.gz GYUMGUOAYQQDEO-QHCPKHFHSA-N 0 3 382.504 3.880 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000734217346 864089646 /nfs/dbraw/zinc/08/96/46/864089646.db2.gz GVUHABZRQLBFJW-HSZRJFAPSA-N 0 3 394.563 3.949 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000734531783 864281975 /nfs/dbraw/zinc/28/19/75/864281975.db2.gz PHXCUYLEACUBGU-JOCHJYFZSA-N 0 3 380.536 3.525 20 10 GHCDHN COc1cc(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])c(OC)cc1Cl ZINC000173359213 864646865 /nfs/dbraw/zinc/64/68/65/864646865.db2.gz GPRBUKJSMSSWCB-UHFFFAOYSA-N 0 3 378.856 3.523 20 10 GHCDHN COc1cc(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])c(OC)cc1Cl ZINC000173359213 864646868 /nfs/dbraw/zinc/64/68/68/864646868.db2.gz GPRBUKJSMSSWCB-UHFFFAOYSA-N 0 3 378.856 3.523 20 10 GHCDHN Cn1nc2c(cc1=O)CN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2 ZINC000174080746 865381813 /nfs/dbraw/zinc/38/18/13/865381813.db2.gz RAIWKMHPPGCLFW-UHFFFAOYSA-N 0 3 383.536 3.639 20 10 GHCDHN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2 ZINC000738439789 865541567 /nfs/dbraw/zinc/54/15/67/865541567.db2.gz NFOFDBYUSAMAJO-QHCPKHFHSA-N 0 3 386.495 3.639 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000742372735 867268164 /nfs/dbraw/zinc/26/81/64/867268164.db2.gz GOTZRYBFTPJXQJ-UHFFFAOYSA-N 0 3 376.762 3.637 20 10 GHCDHN COc1ccc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(O)c1 ZINC000793386291 882162570 /nfs/dbraw/zinc/16/25/70/882162570.db2.gz KGFNHKVILCQJTL-SFHVURJKSA-N 0 3 377.868 3.902 20 10 GHCDHN Oc1ccccc1CN(Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CCCO1 ZINC000744402050 868810075 /nfs/dbraw/zinc/81/00/75/868810075.db2.gz HUDGVZRNSYOHHE-INIZCTEOSA-N 0 3 375.852 3.956 20 10 GHCDHN C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cc(F)ccc1[O-] ZINC000793559645 882267511 /nfs/dbraw/zinc/26/75/11/882267511.db2.gz MHIYOGDRWKLSBO-MCMMXHMISA-N 0 3 397.450 3.607 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC001169755118 871840137 /nfs/dbraw/zinc/84/01/37/871840137.db2.gz SRLHFPXOTNRTFQ-OAQYLSRUSA-N 0 3 398.503 3.817 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC001169755118 871840158 /nfs/dbraw/zinc/84/01/58/871840158.db2.gz SRLHFPXOTNRTFQ-OAQYLSRUSA-N 0 3 398.503 3.817 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC001169755118 871840173 /nfs/dbraw/zinc/84/01/73/871840173.db2.gz SRLHFPXOTNRTFQ-OAQYLSRUSA-N 0 3 398.503 3.817 20 10 GHCDHN Cc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)c(C)n1-c1ccccn1 ZINC000921076317 882563446 /nfs/dbraw/zinc/56/34/46/882563446.db2.gz PSDFCMZQCVAZDC-UHFFFAOYSA-N 0 3 380.536 3.827 20 10 GHCDHN COc1cccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000768160851 873120852 /nfs/dbraw/zinc/12/08/52/873120852.db2.gz AIJIUTGGJNNLGR-NRFANRHFSA-N 0 3 393.487 3.972 20 10 GHCDHN COc1cccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000768160851 873120862 /nfs/dbraw/zinc/12/08/62/873120862.db2.gz AIJIUTGGJNNLGR-NRFANRHFSA-N 0 3 393.487 3.972 20 10 GHCDHN CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443181 873306574 /nfs/dbraw/zinc/30/65/74/873306574.db2.gz QTZHWFLRRZKIGY-GOSISDBHSA-N 0 3 392.293 3.991 20 10 GHCDHN CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443181 873306588 /nfs/dbraw/zinc/30/65/88/873306588.db2.gz QTZHWFLRRZKIGY-GOSISDBHSA-N 0 3 392.293 3.991 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nc4c(s3)CCCC4)C1)[C@@H](O)CO2 ZINC000768463407 873329380 /nfs/dbraw/zinc/32/93/80/873329380.db2.gz SMPZRMWWNXFOLX-UGSOOPFHSA-N 0 3 386.517 3.533 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3nc4c(s3)CCCC4)C1)[C@@H](O)CO2 ZINC000768463407 873329395 /nfs/dbraw/zinc/32/93/95/873329395.db2.gz SMPZRMWWNXFOLX-UGSOOPFHSA-N 0 3 386.517 3.533 20 10 GHCDHN CCOc1cccc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1O ZINC000768528083 873359976 /nfs/dbraw/zinc/35/99/76/873359976.db2.gz IKLQCGDNCBESLN-LJQANCHMSA-N 0 3 383.492 3.967 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc3cccnc32)N(C)C)cc1 ZINC001196883036 873427159 /nfs/dbraw/zinc/42/71/59/873427159.db2.gz UPPLRPGALNGZIX-HXUWFJFHSA-N 0 3 377.492 3.725 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000768893500 873654681 /nfs/dbraw/zinc/65/46/81/873654681.db2.gz SFOZHSADPBOFSG-ZDUSSCGKSA-N 0 3 380.282 3.546 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000768893500 873654685 /nfs/dbraw/zinc/65/46/85/873654685.db2.gz SFOZHSADPBOFSG-ZDUSSCGKSA-N 0 3 380.282 3.546 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528000780 873868409 /nfs/dbraw/zinc/86/84/09/873868409.db2.gz HLWKOPXOMSMRJH-SJCJKPOMSA-N 0 3 389.293 3.941 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000769232785 873907708 /nfs/dbraw/zinc/90/77/08/873907708.db2.gz LTVCPMRBWSHETO-OAHLLOKOSA-N 0 3 383.423 3.970 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000769232785 873907714 /nfs/dbraw/zinc/90/77/14/873907714.db2.gz LTVCPMRBWSHETO-OAHLLOKOSA-N 0 3 383.423 3.970 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000769294120 873945469 /nfs/dbraw/zinc/94/54/69/873945469.db2.gz XOIMKWQAEKMBQA-UHFFFAOYSA-N 0 3 395.547 3.652 20 10 GHCDHN COc1ccc([C@H](NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000775834405 874339913 /nfs/dbraw/zinc/33/99/13/874339913.db2.gz NTXLOECIUXKKPA-UZUQRXQVSA-N 0 3 383.536 3.925 20 10 GHCDHN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1OCC ZINC000775834263 874343128 /nfs/dbraw/zinc/34/31/28/874343128.db2.gz QAROGIBBGIEGRW-MRXNPFEDSA-N 0 3 385.508 3.839 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CCc2nc3c(cccc3C)o2)c1[O-] ZINC000776218920 875891403 /nfs/dbraw/zinc/89/14/03/875891403.db2.gz MANAWHNEHLSVBJ-UHFFFAOYSA-N 0 3 391.265 3.945 20 10 GHCDHN COC(=O)c1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)oc1C ZINC000776223223 875917184 /nfs/dbraw/zinc/91/71/84/875917184.db2.gz RJUPUFLVEKZXGO-AWEZNQCLSA-N 0 3 394.418 3.735 20 10 GHCDHN COC(=O)c1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)oc1C ZINC000776223224 875917324 /nfs/dbraw/zinc/91/73/24/875917324.db2.gz RJUPUFLVEKZXGO-CQSZACIVSA-N 0 3 394.418 3.735 20 10 GHCDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000776236798 875997000 /nfs/dbraw/zinc/99/70/00/875997000.db2.gz BMJCQDLWRNUUBE-KRWDZBQOSA-N 0 3 386.515 3.726 20 10 GHCDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000776246815 876016270 /nfs/dbraw/zinc/01/62/70/876016270.db2.gz UNEXLNICWDHDRB-KRWDZBQOSA-N 0 3 386.515 3.726 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c([O-])c1 ZINC000785543457 876098836 /nfs/dbraw/zinc/09/88/36/876098836.db2.gz FHQACRGVCIEIIW-INIZCTEOSA-N 0 3 391.309 3.922 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3ccc(OC)cc3OC(F)F)C2)cc1 ZINC000850346095 876837540 /nfs/dbraw/zinc/83/75/40/876837540.db2.gz CBJJGTKZQHKFET-HNNXBMFYSA-N 0 3 378.419 3.674 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](CO)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000850401913 876882688 /nfs/dbraw/zinc/88/26/88/876882688.db2.gz BRYLRMVZOVHHBM-LJQANCHMSA-N 0 3 394.346 3.568 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1[O-] ZINC000850409056 876889501 /nfs/dbraw/zinc/88/95/01/876889501.db2.gz JHPUZKSLYMRDOK-HYVNUMGLSA-N 0 3 378.241 3.730 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850557411 877024234 /nfs/dbraw/zinc/02/42/34/877024234.db2.gz NWFHOVVQRNCQFD-QWHCGFSZSA-N 0 3 383.330 3.761 20 10 GHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)cc1)CCS2 ZINC000850568032 877036276 /nfs/dbraw/zinc/03/62/76/877036276.db2.gz ODIUCJWYXIFLMY-NRFANRHFSA-N 0 3 384.545 3.983 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000787292599 877299186 /nfs/dbraw/zinc/29/91/86/877299186.db2.gz IBHSCXODKKLIET-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCC(Oc2cnccn2)CC1 ZINC000787292599 877299200 /nfs/dbraw/zinc/29/92/00/877299200.db2.gz IBHSCXODKKLIET-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN CCOC(=O)[C@](C)(C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC000787436708 877401457 /nfs/dbraw/zinc/40/14/57/877401457.db2.gz GGFAJGXLKCSQRJ-HXUWFJFHSA-N 0 3 377.868 3.665 20 10 GHCDHN C[C@@H](c1ccccc1)[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000851879557 877956921 /nfs/dbraw/zinc/95/69/21/877956921.db2.gz LFDYIORJODXEJP-KRWDZBQOSA-N 0 3 379.508 3.940 20 10 GHCDHN C[C@@H](c1ccccc1)[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000851879557 877956932 /nfs/dbraw/zinc/95/69/32/877956932.db2.gz LFDYIORJODXEJP-KRWDZBQOSA-N 0 3 379.508 3.940 20 10 GHCDHN CN(C)Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1 ZINC000788632454 878224798 /nfs/dbraw/zinc/22/47/98/878224798.db2.gz XXMHCAVZWJZUPZ-UHFFFAOYSA-N 0 3 388.533 3.587 20 10 GHCDHN COc1cccc(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1O ZINC000788973053 878479991 /nfs/dbraw/zinc/47/99/91/878479991.db2.gz MAJAXLRGOVQRQY-HNNXBMFYSA-N 0 3 395.286 3.993 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1c1cc(C)ccc1C)cc2=O ZINC001168134032 878793512 /nfs/dbraw/zinc/79/35/12/878793512.db2.gz IDJGCGWEAVTKMU-LJQANCHMSA-N 0 3 394.475 3.566 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000776698776 879377814 /nfs/dbraw/zinc/37/78/14/879377814.db2.gz CDUJUCBOVUNQDQ-CYBMUJFWSA-N 0 3 377.282 3.532 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NCc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000791010787 880133049 /nfs/dbraw/zinc/13/30/49/880133049.db2.gz KCZHCFIECDCGDV-QHCPKHFHSA-N 0 3 377.532 3.876 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000792182406 880969707 /nfs/dbraw/zinc/96/97/07/880969707.db2.gz DHDKYLQBLQCJFF-MRXNPFEDSA-N 0 3 378.314 3.888 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000103597057 883263118 /nfs/dbraw/zinc/26/31/18/883263118.db2.gz QPPPBHZXMYCLCU-YOEHRIQHSA-N 0 3 389.521 3.660 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000184681765 883374070 /nfs/dbraw/zinc/37/40/70/883374070.db2.gz AYFYUZBDYGSISB-AWEZNQCLSA-N 0 3 380.916 3.525 20 10 GHCDHN COC(=O)c1csc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000286342002 912701227 /nfs/dbraw/zinc/70/12/27/912701227.db2.gz YISRTAPSATYTBV-HNNXBMFYSA-N 0 3 388.533 3.594 20 10 GHCDHN COc1ccc(C[C@H](C)CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000761741845 883955119 /nfs/dbraw/zinc/95/51/19/883955119.db2.gz ALKNKFYBWRYDDA-IBGZPJMESA-N 0 3 397.563 3.530 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H]3CCc4nc(Cl)ccc43)cc2F)CC1 ZINC000806137391 884358722 /nfs/dbraw/zinc/35/87/22/884358722.db2.gz JKQOHNFMMGVBMA-SFHVURJKSA-N 0 3 388.918 3.793 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000898164537 884623507 /nfs/dbraw/zinc/62/35/07/884623507.db2.gz YQGWNPWOXHIZQY-UHFFFAOYSA-N 0 3 381.394 3.516 20 10 GHCDHN Cc1ccc(O)c(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000860544042 884785381 /nfs/dbraw/zinc/78/53/81/884785381.db2.gz JRAQXEBGJUKLLY-UHFFFAOYSA-N 0 3 385.533 3.614 20 10 GHCDHN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000806846770 885022414 /nfs/dbraw/zinc/02/24/14/885022414.db2.gz WWAMMRZUTOYADH-GCJKJVERSA-N 0 3 378.520 3.553 20 10 GHCDHN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC001130898466 885341550 /nfs/dbraw/zinc/34/15/50/885341550.db2.gz SDGDSRJISPUKOJ-INIZCTEOSA-N 0 3 383.536 3.518 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c1[O-] ZINC000862483960 886402476 /nfs/dbraw/zinc/40/24/76/886402476.db2.gz ZOXNMYWKFBQEME-UHFFFAOYSA-N 0 3 384.904 3.518 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[O-] ZINC000762613996 886538284 /nfs/dbraw/zinc/53/82/84/886538284.db2.gz LWMQRWZFDSVZAQ-ZLDLUXBVSA-N 0 3 390.368 3.633 20 10 GHCDHN COc1cc(C[C@H](CO)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc(OC)c1 ZINC000808700165 886722506 /nfs/dbraw/zinc/72/25/06/886722506.db2.gz INIAWMLOWNXHIP-ZBFHGGJFSA-N 0 3 393.911 3.873 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000915738033 887379453 /nfs/dbraw/zinc/37/94/53/887379453.db2.gz ZBWCHUPDTLFLCQ-HSZRJFAPSA-N 0 3 392.547 3.923 20 10 GHCDHN Cc1nn(C)c2nc(Cl)c(C[NH2+]Cc3cc(Br)ccc3[O-])cc12 ZINC000809713626 887731866 /nfs/dbraw/zinc/73/18/66/887731866.db2.gz VCTJKGIQOAJBPC-UHFFFAOYSA-N 0 3 395.688 3.688 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC001184397926 913180759 /nfs/dbraw/zinc/18/07/59/913180759.db2.gz GRVJZARSHSPDRU-UHFFFAOYSA-N 0 3 396.915 3.980 20 10 GHCDHN C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000809794269 887849086 /nfs/dbraw/zinc/84/90/86/887849086.db2.gz WLOIVXNCXJPCMP-HHHXNRCGSA-N 0 3 381.497 3.998 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1[O-] ZINC000794796588 888064723 /nfs/dbraw/zinc/06/47/23/888064723.db2.gz LJHMVFIOKVAFNI-WIYYLYMNSA-N 0 3 381.520 3.643 20 10 GHCDHN CC[C@@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794791921 888074180 /nfs/dbraw/zinc/07/41/80/888074180.db2.gz CMHYIOLGGPWDJX-FGZHOGPDSA-N 0 3 384.520 3.823 20 10 GHCDHN CCC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122317273 889611726 /nfs/dbraw/zinc/61/17/26/889611726.db2.gz JQSLOSSKSGOLAW-UHFFFAOYSA-N 0 3 394.519 3.818 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(Br)cc1OCCCO ZINC000812784001 890963339 /nfs/dbraw/zinc/96/33/39/890963339.db2.gz QEGHMIOLZDIBOX-CYBMUJFWSA-N 0 3 380.282 3.767 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000717048673 890980480 /nfs/dbraw/zinc/98/04/80/890980480.db2.gz NSTLNZPZNWECCH-GJZGRUSLSA-N 0 3 382.451 3.861 20 10 GHCDHN COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747867202 891882308 /nfs/dbraw/zinc/88/23/08/891882308.db2.gz PTTQSQOCQYVQFS-IRXDYDNUSA-N 0 3 397.519 3.902 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000917456246 892025677 /nfs/dbraw/zinc/02/56/77/892025677.db2.gz IBRPFPCQZNRZFJ-UHFFFAOYSA-N 0 3 393.443 3.784 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000125327561 892502123 /nfs/dbraw/zinc/50/21/23/892502123.db2.gz UZWGDEIMTKGJKL-QHCPKHFHSA-N 0 3 390.531 3.699 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2nc3ccccc3s2)N(C)C)cc1 ZINC001134681583 893217486 /nfs/dbraw/zinc/21/74/86/893217486.db2.gz AVFAUYSLVFWSPC-IBGZPJMESA-N 0 3 396.560 3.714 20 10 GHCDHN CCOc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001134682030 893219142 /nfs/dbraw/zinc/21/91/42/893219142.db2.gz QKQWQEDKRDZYRB-JOCHJYFZSA-N 0 3 383.536 3.503 20 10 GHCDHN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134682069 893219520 /nfs/dbraw/zinc/21/95/20/893219520.db2.gz RZEJZNKMTCYXBL-YWZLYKJASA-N 0 3 389.927 3.592 20 10 GHCDHN OC1CCN(c2ccc(CN[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)CC1 ZINC000876979157 893419784 /nfs/dbraw/zinc/41/97/84/893419784.db2.gz VUISKHGXGPCGCO-PKTZIBPZSA-N 0 3 384.495 3.797 20 10 GHCDHN COc1ccc(/C=C(\C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1F ZINC001134882590 893504731 /nfs/dbraw/zinc/50/47/31/893504731.db2.gz RLGQAIJXPKHVRJ-RDOKFVIMSA-N 0 3 399.510 3.723 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877755935 893794042 /nfs/dbraw/zinc/79/40/42/893794042.db2.gz TVUYRLLQBVTYGW-OWYHZJEWSA-N 0 3 390.524 3.847 20 10 GHCDHN C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817969698 895987819 /nfs/dbraw/zinc/98/78/19/895987819.db2.gz YCBQZWYKMGIPEB-MWODSPESSA-N 0 3 392.135 3.566 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@@H](O)c3cc(F)ccc3F)cc2F)C[C@H](C)O1 ZINC000818966802 896271132 /nfs/dbraw/zinc/27/11/32/896271132.db2.gz OIIVBTLECPKYNY-HKZYLEAXSA-N 0 3 394.437 3.541 20 10 GHCDHN COc1cccc([C@H](C)NCc2ccc(Br)cc2[N+](=O)[O-])c1O ZINC000883295878 897464421 /nfs/dbraw/zinc/46/44/21/897464421.db2.gz WDIMLHNSVLAPPV-JTQLQIEISA-N 0 3 381.226 3.922 20 10 GHCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000821943386 898135242 /nfs/dbraw/zinc/13/52/42/898135242.db2.gz DDLISTIXMMIFER-LJQANCHMSA-N 0 3 379.464 3.586 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000156846501 900082260 /nfs/dbraw/zinc/08/22/60/900082260.db2.gz KMCUJQFASZOVEX-UHFFFAOYSA-N 0 3 395.547 3.776 20 10 GHCDHN COc1ccc2ccc(O)c(CN(C)Cc3cn(C)nc3C(F)(F)F)c2c1 ZINC000138055951 901061033 /nfs/dbraw/zinc/06/10/33/901061033.db2.gz SUADHWFVYSCLBW-UHFFFAOYSA-N 0 3 379.382 3.938 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1[O-] ZINC000779001723 902719462 /nfs/dbraw/zinc/71/94/62/902719462.db2.gz DTIHQCUERFIARS-LBPRGKRZSA-N 0 3 381.314 3.515 20 10 GHCDHN C[C@@H](NCc1ccc(-c2nncnn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209015 902757203 /nfs/dbraw/zinc/75/72/03/902757203.db2.gz OOLNRNUGTDWSNQ-MRXNPFEDSA-N 0 3 392.482 3.914 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846216136 902791982 /nfs/dbraw/zinc/79/19/82/902791982.db2.gz QACCAAPKOFMSFT-BLLLJJGKSA-N 0 3 391.309 3.890 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1[O-] ZINC000779031110 903200760 /nfs/dbraw/zinc/20/07/60/903200760.db2.gz YNPPRYWHCQFDAM-CZUORRHYSA-N 0 3 395.341 3.905 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000779029954 903219229 /nfs/dbraw/zinc/21/92/29/903219229.db2.gz LYJBPMDCWRBALN-CXAGYDPISA-N 0 3 389.293 3.919 20 10 GHCDHN COc1cc(O)c(CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000159601915 903680311 /nfs/dbraw/zinc/68/03/11/903680311.db2.gz YWXPOLAGIUXZEQ-UHFFFAOYSA-N 0 3 390.911 3.771 20 10 GHCDHN C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153679520 904388011 /nfs/dbraw/zinc/38/80/11/904388011.db2.gz OLUWTTNGIYUFFQ-INIZCTEOSA-N 0 3 398.457 3.838 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000779192183 905294823 /nfs/dbraw/zinc/29/48/23/905294823.db2.gz GUPQKISPHLTBQB-IBGZPJMESA-N 0 3 387.277 3.559 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000779192183 905294839 /nfs/dbraw/zinc/29/48/39/905294839.db2.gz GUPQKISPHLTBQB-IBGZPJMESA-N 0 3 387.277 3.559 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cnn(C(C)C)c3C)cc2F)CC1 ZINC000191274820 906833405 /nfs/dbraw/zinc/83/34/05/906833405.db2.gz ASTWTWSKBATZJK-KRWDZBQOSA-N 0 3 387.547 3.904 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000779620167 907936006 /nfs/dbraw/zinc/93/60/06/907936006.db2.gz QDEFGAJAKNRXPU-MRXNPFEDSA-N 0 3 398.507 3.632 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000779620167 907936025 /nfs/dbraw/zinc/93/60/25/907936025.db2.gz QDEFGAJAKNRXPU-MRXNPFEDSA-N 0 3 398.507 3.632 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000245959655 910024205 /nfs/dbraw/zinc/02/42/05/910024205.db2.gz XXQNWLRAEVFGPD-STZQEDGTSA-N 0 3 385.504 3.512 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000245959655 910024224 /nfs/dbraw/zinc/02/42/24/910024224.db2.gz XXQNWLRAEVFGPD-STZQEDGTSA-N 0 3 385.504 3.512 20 10 GHCDHN Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c([O-])c1 ZINC001181846360 911039088 /nfs/dbraw/zinc/03/90/88/911039088.db2.gz ZEVPLDMWJXPNTD-ZDUSSCGKSA-N 0 3 382.273 3.543 20 10 GHCDHN CCCN(Cc1ccc(N2CCOCC2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000092710641 911731994 /nfs/dbraw/zinc/73/19/94/911731994.db2.gz AUPGTYXJWOVWKI-LJQANCHMSA-N 0 3 381.520 3.762 20 10 GHCDHN Cc1cnccc1OC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000775203025 916250500 /nfs/dbraw/zinc/25/05/00/916250500.db2.gz ITSILPUYDIRCCG-UHFFFAOYSA-N 0 3 377.282 3.902 20 10 GHCDHN Cc1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254320 916651426 /nfs/dbraw/zinc/65/14/26/916651426.db2.gz GRKUFEKRFNALBC-MRXNPFEDSA-N 0 3 387.911 3.774 20 10 GHCDHN CN(c1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1)C1CCCCC1 ZINC000775382432 917316163 /nfs/dbraw/zinc/31/61/63/917316163.db2.gz OAUXUJZUMIZZLK-RTWAWAEBSA-N 0 3 378.582 3.901 20 10 GHCDHN CCc1ccc([C@H](O)C[NH2+]Cc2cc(Br)cc(OC)c2[O-])cc1 ZINC000796450866 917392129 /nfs/dbraw/zinc/39/21/29/917392129.db2.gz MBFNQBYTJXJNIZ-MRXNPFEDSA-N 0 3 380.282 3.549 20 10 GHCDHN COC(=O)c1ccc2[nH]c(CN(Cc3ccccc3O)C3CCCC3)nc2c1 ZINC001190894687 917635802 /nfs/dbraw/zinc/63/58/02/917635802.db2.gz HNICSOWIWTWYLR-UHFFFAOYSA-N 0 3 379.460 4.000 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c([O-])c1 ZINC000800893090 920575281 /nfs/dbraw/zinc/57/52/81/920575281.db2.gz OMDBWGVEZSGWTG-GOSISDBHSA-N 0 3 378.513 3.916 20 10 GHCDHN FC(F)Oc1ccc(N2CCC(N[C@H](c3nnc[nH]3)c3ccccc3)CC2)cc1 ZINC000368006896 922421318 /nfs/dbraw/zinc/42/13/18/922421318.db2.gz OVEVXQIJHRDIHM-IBGZPJMESA-N 0 3 399.445 3.754 20 10 GHCDHN CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)cc1 ZINC000370336563 924043581 /nfs/dbraw/zinc/04/35/81/924043581.db2.gz ZWCXIXJANXDVMH-INIZCTEOSA-N 0 3 388.533 3.505 20 10 GHCDHN COC1CCN(CCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000751058962 928007525 /nfs/dbraw/zinc/00/75/25/928007525.db2.gz SLQSAFMPCUYVRP-UHFFFAOYSA-N 0 3 389.927 3.588 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000753529185 929390514 /nfs/dbraw/zinc/39/05/14/929390514.db2.gz FFTZIUIPWUXNGX-JOCHJYFZSA-N 0 3 396.531 3.658 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000753529185 929390527 /nfs/dbraw/zinc/39/05/27/929390527.db2.gz FFTZIUIPWUXNGX-JOCHJYFZSA-N 0 3 396.531 3.658 20 10 GHCDHN O=C(NCCCSc1nccs1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000759581431 930412416 /nfs/dbraw/zinc/41/24/16/930412416.db2.gz RXWCGLGYNYGQDL-KRWDZBQOSA-N 0 3 390.578 3.589 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CCCc4cn(C5CCCC5)nc43)cc2)CC1 ZINC000780765290 930594133 /nfs/dbraw/zinc/59/41/33/930594133.db2.gz AUOBDWMJNOIBJX-HSZRJFAPSA-N 0 3 393.579 3.917 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccnn3C3CCC3)cc2F)CC1 ZINC000924995984 931606270 /nfs/dbraw/zinc/60/62/70/931606270.db2.gz LOJUGMWWZITHHB-QGZVFWFLSA-N 0 3 385.531 3.740 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000799738622 933106804 /nfs/dbraw/zinc/10/68/04/933106804.db2.gz HICQGDRVCSNCDS-MRXNPFEDSA-N 0 3 378.513 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000799738622 933106806 /nfs/dbraw/zinc/10/68/06/933106806.db2.gz HICQGDRVCSNCDS-MRXNPFEDSA-N 0 3 378.513 3.918 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc4c3COCC4)c2)CC1 ZINC001118753606 934232658 /nfs/dbraw/zinc/23/26/58/934232658.db2.gz YBVZUZQWLINEKF-UHFFFAOYSA-N 0 3 379.504 3.542 20 10 GHCDHN COc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1Cn1cccn1 ZINC001119027735 934301661 /nfs/dbraw/zinc/30/16/61/934301661.db2.gz DTIVEXDJPLHXNE-FQEVSTJZSA-N 0 3 379.508 3.885 20 10 GHCDHN Cc1cc(C(=O)CN2CCC[C@@H]2C2CCOCC2)c(C)n1-c1ccc(F)cn1 ZINC000828735824 935696973 /nfs/dbraw/zinc/69/69/73/935696973.db2.gz BLCKTYIGHFUONA-HXUWFJFHSA-N 0 3 385.483 3.702 20 10 GHCDHN Cc1cc(CN2CCC(NC(=O)c3cccnc3)CC2)c(C)n1-c1ccccc1 ZINC001137859373 935829795 /nfs/dbraw/zinc/82/97/95/935829795.db2.gz VSQYXZSPFVNQIE-UHFFFAOYSA-N 0 3 388.515 3.884 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)c3ccccn3)C2)c2ccccc21 ZINC001204240515 1032684453 /nfs/dbraw/zinc/68/44/53/1032684453.db2.gz WMZJKDJFQVPUNN-LJQANCHMSA-N 0 3 388.515 3.695 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278574 1032719633 /nfs/dbraw/zinc/71/96/33/1032719633.db2.gz FYXCHAJDYJGJJJ-GOSISDBHSA-N 0 3 376.497 3.709 20 10 GHCDHN O=C(c1ccc(Br)cc1)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278907 1032718891 /nfs/dbraw/zinc/71/88/91/1032718891.db2.gz MRLKECAUQXAHNC-UHFFFAOYSA-N 0 3 390.277 3.955 20 10 GHCDHN O=C1Nc2c(cccc2F)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204327476 1032769607 /nfs/dbraw/zinc/76/96/07/1032769607.db2.gz VGZDPCLCYPQFPA-UHFFFAOYSA-N 0 3 379.479 3.912 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834492113 1021221641 /nfs/dbraw/zinc/22/16/41/1021221641.db2.gz MWECZKULPQGOPA-HNAYVOBHSA-N 0 3 388.533 3.761 20 10 GHCDHN Oc1cnccc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001140280037 1021306931 /nfs/dbraw/zinc/30/69/31/1021306931.db2.gz ZWYGTZNDTRLATM-UHFFFAOYSA-N 0 3 386.455 3.918 20 10 GHCDHN COc1cc(Br)c(CN[C@H]2CCc3cccc(O)c32)cc1OC ZINC000834640247 1021337931 /nfs/dbraw/zinc/33/79/31/1021337931.db2.gz JMBLWGDXHVJQSL-AWEZNQCLSA-N 0 3 378.266 3.949 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000834685082 1021367241 /nfs/dbraw/zinc/36/72/41/1021367241.db2.gz HGYHKSGVEGWPJG-PBHICJAKSA-N 0 3 381.394 3.719 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000834783847 1021471942 /nfs/dbraw/zinc/47/19/42/1021471942.db2.gz OGLZRBZPJYRDLW-PBHICJAKSA-N 0 3 376.294 3.583 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1[O-] ZINC000834897761 1021642071 /nfs/dbraw/zinc/64/20/71/1021642071.db2.gz VGAZBDOOTAYTRI-DXCKQFNASA-N 0 3 394.313 3.768 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1ccccc1[O-] ZINC000834900707 1021645984 /nfs/dbraw/zinc/64/59/84/1021645984.db2.gz SLHUJONYMOCWDP-STQMWFEESA-N 0 3 382.273 3.796 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000835081583 1021877424 /nfs/dbraw/zinc/87/74/24/1021877424.db2.gz JUDUPIGWVKEOLS-QGZVFWFLSA-N 0 3 386.492 3.661 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000835081583 1021877433 /nfs/dbraw/zinc/87/74/33/1021877433.db2.gz JUDUPIGWVKEOLS-QGZVFWFLSA-N 0 3 386.492 3.661 20 10 GHCDHN CCN(CC)c1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140850154 1022695593 /nfs/dbraw/zinc/69/55/93/1022695593.db2.gz FAXRUHPGXKSTPL-UHFFFAOYSA-N 0 3 389.540 3.681 20 10 GHCDHN Cc1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c(O)c1 ZINC001140952016 1022979907 /nfs/dbraw/zinc/97/99/07/1022979907.db2.gz BOMFCYINTUMLOU-JTHBVZDNSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140952413 1022981558 /nfs/dbraw/zinc/98/15/58/1022981558.db2.gz QVJRMVWQVJRDTP-IRXDYDNUSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1ccc(C[N@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140952413 1022981559 /nfs/dbraw/zinc/98/15/59/1022981559.db2.gz QVJRMVWQVJRDTP-IRXDYDNUSA-N 0 3 378.488 3.775 20 10 GHCDHN COC(=O)c1ccc([C@@H]2CCCCN2Cc2c(O)cc(OC)cc2OC)cc1 ZINC001141033054 1023302018 /nfs/dbraw/zinc/30/20/18/1023302018.db2.gz XXFPMPSHCRNRJS-IBGZPJMESA-N 0 3 385.460 3.923 20 10 GHCDHN COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2c([O-])cc(OC)cc2OC)cc1 ZINC001141033054 1023302036 /nfs/dbraw/zinc/30/20/36/1023302036.db2.gz XXFPMPSHCRNRJS-IBGZPJMESA-N 0 3 385.460 3.923 20 10 GHCDHN COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2c([O-])cc(OC)cc2OC)cc1 ZINC001141033054 1023302049 /nfs/dbraw/zinc/30/20/49/1023302049.db2.gz XXFPMPSHCRNRJS-IBGZPJMESA-N 0 3 385.460 3.923 20 10 GHCDHN O=c1[nH]c2ccccc2n1CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000756335788 1023594611 /nfs/dbraw/zinc/59/46/11/1023594611.db2.gz JLQRWTXGFHMDCA-SFHVURJKSA-N 0 3 381.476 3.519 20 10 GHCDHN O=c1[nH]c2ccccc2n1CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000756335788 1023594620 /nfs/dbraw/zinc/59/46/20/1023594620.db2.gz JLQRWTXGFHMDCA-SFHVURJKSA-N 0 3 381.476 3.519 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756835583 1023829722 /nfs/dbraw/zinc/82/97/22/1023829722.db2.gz ORLJTESRZVPXTP-ZDWFVDTJSA-N 0 3 384.495 3.696 20 10 GHCDHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(N4CCCCC4)cc3)O2)n1 ZINC001138216953 1024384138 /nfs/dbraw/zinc/38/41/38/1024384138.db2.gz QRIXWLYRNOIXOR-NJYVYQBISA-N 0 3 382.508 3.863 20 10 GHCDHN Cc1c(CN2CCC3(C[C@H](c4cncnc4)CO3)CC2)c2ccccc2n1C ZINC001138254207 1024475916 /nfs/dbraw/zinc/47/59/16/1024475916.db2.gz SRUKCUHQGAXZKC-SFHVURJKSA-N 0 3 376.504 3.815 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@]3(C[C@@H](CCOC)CO3)C2)c(OC)c1 ZINC001138387686 1024761378 /nfs/dbraw/zinc/76/13/78/1024761378.db2.gz MEQKPIQISNUBAA-XXBNENTESA-N 0 3 390.568 3.949 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(OC)c1 ZINC001138388772 1024764600 /nfs/dbraw/zinc/76/46/00/1024764600.db2.gz DAYVWUSDEXWETI-GGAORHGYSA-N 0 3 388.552 3.701 20 10 GHCDHN CN1CCN(c2ccc(CN3CCO[C@](C)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001139412106 1026283814 /nfs/dbraw/zinc/28/38/14/1026283814.db2.gz FCRPWSJUQJBHTJ-QHCPKHFHSA-N 0 3 399.966 3.839 20 10 GHCDHN CO/C=C/c1ccc(NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC001164336081 1026489081 /nfs/dbraw/zinc/48/90/81/1026489081.db2.gz PYDXHNLXUCWFSF-XDHOZWIPSA-N 0 3 381.520 3.937 20 10 GHCDHN CCOc1cc(NCCCN2CCN(c3ccc(OC)cc3)CC2)cc(OC)c1 ZINC001164335373 1026489677 /nfs/dbraw/zinc/48/96/77/1026489677.db2.gz BMVSZCXSBVBQCL-UHFFFAOYSA-N 0 3 399.535 3.727 20 10 GHCDHN CCOc1cccc(CN2CCN(c3cccc(Br)c3)CC2)c1O ZINC001203609298 1027473262 /nfs/dbraw/zinc/47/32/62/1027473262.db2.gz PIYRIXBGCATULF-UHFFFAOYSA-N 0 3 391.309 3.876 20 10 GHCDHN COc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)c([O-])c1 ZINC001203621917 1027483621 /nfs/dbraw/zinc/48/36/21/1027483621.db2.gz KCTKRGVALCQLIR-UHFFFAOYSA-N 0 3 392.293 3.647 20 10 GHCDHN CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CC[C@@H]21 ZINC001203659051 1027516484 /nfs/dbraw/zinc/51/64/84/1027516484.db2.gz QRUWVUQWSBLXTO-UXPWSPDFSA-N 0 3 388.943 3.616 20 10 GHCDHN CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CC[C@@H]21 ZINC001203659051 1027516491 /nfs/dbraw/zinc/51/64/91/1027516491.db2.gz QRUWVUQWSBLXTO-UXPWSPDFSA-N 0 3 388.943 3.616 20 10 GHCDHN CCCOc1cc(C)ccc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461285044 1069481563 /nfs/dbraw/zinc/48/15/63/1069481563.db2.gz WLMBKLKNZRLGND-UHFFFAOYSA-N 0 3 385.527 3.965 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000840885291 1027922432 /nfs/dbraw/zinc/92/24/32/1027922432.db2.gz WZWCOQATSBIWES-QHCPKHFHSA-N 0 3 394.563 3.839 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000840930770 1027965082 /nfs/dbraw/zinc/96/50/82/1027965082.db2.gz OOIBIOTVNOFUDG-OALUTQOASA-N 0 3 395.547 3.600 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000842905044 1029674661 /nfs/dbraw/zinc/67/46/61/1029674661.db2.gz ZIASAJFJVUYZJR-ZFWWWQNUSA-N 0 3 379.472 3.808 20 10 GHCDHN CC(C)Oc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001222472818 1030155921 /nfs/dbraw/zinc/15/59/21/1030155921.db2.gz JRHVKOBCDMAYSS-QFIPXVFZSA-N 0 3 398.551 3.642 20 10 GHCDHN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1C(=O)c1cccc([O-])c1C3=O)C2 ZINC001229192278 1033332963 /nfs/dbraw/zinc/33/29/63/1033332963.db2.gz JQPMODKYZIJNRI-ZSHCYNCHSA-N 0 3 391.467 3.950 20 10 GHCDHN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1C(=O)c1cccc([O-])c1C3=O)C2 ZINC001229192278 1033332978 /nfs/dbraw/zinc/33/29/78/1033332978.db2.gz JQPMODKYZIJNRI-ZSHCYNCHSA-N 0 3 391.467 3.950 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1[O-] ZINC001277439108 1033850871 /nfs/dbraw/zinc/85/08/71/1033850871.db2.gz IPNIGOLHTXFXCH-HUUCEWRRSA-N 0 3 390.833 3.872 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1[O-] ZINC001277439108 1033850888 /nfs/dbraw/zinc/85/08/88/1033850888.db2.gz IPNIGOLHTXFXCH-HUUCEWRRSA-N 0 3 390.833 3.872 20 10 GHCDHN C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001206584036 1033915001 /nfs/dbraw/zinc/91/50/01/1033915001.db2.gz BPMXLVGBXBBOFT-QGZVFWFLSA-N 0 3 389.337 3.904 20 10 GHCDHN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC001206584036 1033915007 /nfs/dbraw/zinc/91/50/07/1033915007.db2.gz BPMXLVGBXBBOFT-QGZVFWFLSA-N 0 3 389.337 3.904 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC001207825949 1034602512 /nfs/dbraw/zinc/60/25/12/1034602512.db2.gz DCZGTVGNBAQCDS-ZBFHGGJFSA-N 0 3 384.467 3.962 20 10 GHCDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC001207825949 1034602520 /nfs/dbraw/zinc/60/25/20/1034602520.db2.gz DCZGTVGNBAQCDS-ZBFHGGJFSA-N 0 3 384.467 3.962 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001231588965 1034743876 /nfs/dbraw/zinc/74/38/76/1034743876.db2.gz SZDCLLRIYWFUJO-DVECYGJZSA-N 0 3 390.483 3.606 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001231588965 1034743886 /nfs/dbraw/zinc/74/38/86/1034743886.db2.gz SZDCLLRIYWFUJO-DVECYGJZSA-N 0 3 390.483 3.606 20 10 GHCDHN Cn1nc(COCC2CC2)c2c1CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231589234 1034744050 /nfs/dbraw/zinc/74/40/50/1034744050.db2.gz YXSIVNNMUJQYHP-UHFFFAOYSA-N 0 3 377.488 3.764 20 10 GHCDHN Cn1nc(COCC2CC2)c2c1CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231589234 1034744065 /nfs/dbraw/zinc/74/40/65/1034744065.db2.gz YXSIVNNMUJQYHP-UHFFFAOYSA-N 0 3 377.488 3.764 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ncnc2ccsc21)c1ccccc1O ZINC001160616156 1035016887 /nfs/dbraw/zinc/01/68/87/1035016887.db2.gz DQPQDDIZUTVAAL-QZTJIDSGSA-N 0 3 378.457 3.956 20 10 GHCDHN Cc1nc2ccc(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3[O-])nc2n1C ZINC001160618244 1035017568 /nfs/dbraw/zinc/01/75/68/1035017568.db2.gz AMQNGDKQVMEZSG-NHCUHLMSSA-N 0 3 389.459 3.541 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3cc4c[nH]ccc-4n3)CC2)cc1 ZINC001232018395 1035046843 /nfs/dbraw/zinc/04/68/43/1035046843.db2.gz KOUCZYLDWDZPHG-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3cc4cnccc4[nH]3)CC2)cc1 ZINC001232018395 1035046853 /nfs/dbraw/zinc/04/68/53/1035046853.db2.gz KOUCZYLDWDZPHG-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)c(Cl)c1)Cc1ccc2c(c1)OCCO2 ZINC001232198283 1035157020 /nfs/dbraw/zinc/15/70/20/1035157020.db2.gz OQVOYZIMNKATAS-UHFFFAOYSA-N 0 3 388.895 3.580 20 10 GHCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200908 1035157790 /nfs/dbraw/zinc/15/77/90/1035157790.db2.gz FLFYQNHLGOEARL-UHFFFAOYSA-N 0 3 388.895 3.927 20 10 GHCDHN COc1ccc(CN2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1OC ZINC001461959898 1069915670 /nfs/dbraw/zinc/91/56/70/1069915670.db2.gz LFUNSQXOOWVICT-ZBFHGGJFSA-N 0 3 394.512 3.535 20 10 GHCDHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209517306 1035300154 /nfs/dbraw/zinc/30/01/54/1035300154.db2.gz BHDNALQHMQEWRT-JOCHJYFZSA-N 0 3 383.536 3.553 20 10 GHCDHN COc1cc(I)cc(C[NH+]2CC3CCC(CC3)C2)c1[O-] ZINC001248405608 1035822752 /nfs/dbraw/zinc/82/27/52/1035822752.db2.gz QQPPWHNXROINRR-UHFFFAOYSA-N 0 3 387.261 3.627 20 10 GHCDHN Cc1cnc2n1CCC21CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001233107690 1038894596 /nfs/dbraw/zinc/89/45/96/1038894596.db2.gz HJGSKQRDTZQIBZ-UHFFFAOYSA-N 0 3 390.325 3.906 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC001233110953 1038902360 /nfs/dbraw/zinc/90/23/60/1038902360.db2.gz WIAPLUBODQQZGA-HNNXBMFYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC001233110953 1038902363 /nfs/dbraw/zinc/90/23/63/1038902363.db2.gz WIAPLUBODQQZGA-HNNXBMFYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001233111768 1038902963 /nfs/dbraw/zinc/90/29/63/1038902963.db2.gz WXJWQEUWZZVIJY-QGZVFWFLSA-N 0 3 377.282 3.902 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC001233290018 1039072638 /nfs/dbraw/zinc/07/26/38/1039072638.db2.gz DAIFEBINVINHPE-DZGCQCFKSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC001233290018 1039072654 /nfs/dbraw/zinc/07/26/54/1039072654.db2.gz DAIFEBINVINHPE-DZGCQCFKSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cccc(CN2CCN(Cc3cccc(C(F)(F)F)c3O)CC2)c1 ZINC001233418466 1039279620 /nfs/dbraw/zinc/27/96/20/1039279620.db2.gz IDYRYQRSPRRYSB-UHFFFAOYSA-N 0 3 380.410 3.737 20 10 GHCDHN O=C1Nc2ccccc2C12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233736199 1039577194 /nfs/dbraw/zinc/57/71/94/1039577194.db2.gz DQJSTHSNXYQFMX-UHFFFAOYSA-N 0 3 392.377 3.777 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001254205986 1040058230 /nfs/dbraw/zinc/05/82/30/1040058230.db2.gz QLOBWMHEDKWLDS-QGZVFWFLSA-N 0 3 376.497 3.636 20 10 GHCDHN O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234994641 1040489873 /nfs/dbraw/zinc/48/98/73/1040489873.db2.gz GBHBEZWNJBSKSM-FGZHOGPDSA-N 0 3 399.494 3.658 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001235677544 1041137233 /nfs/dbraw/zinc/13/72/33/1041137233.db2.gz BBVKEUKYJNOMNF-XXBNENTESA-N 0 3 382.504 3.612 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([O-])c1 ZINC001235677544 1041137244 /nfs/dbraw/zinc/13/72/44/1041137244.db2.gz BBVKEUKYJNOMNF-XXBNENTESA-N 0 3 382.504 3.612 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c([O-])c1 ZINC001235681005 1041144209 /nfs/dbraw/zinc/14/42/09/1041144209.db2.gz YIXFUJFWMBXHBS-CBQOVEMMSA-N 0 3 382.504 3.896 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c([O-])c1 ZINC001235681005 1041144231 /nfs/dbraw/zinc/14/42/31/1041144231.db2.gz YIXFUJFWMBXHBS-CBQOVEMMSA-N 0 3 382.504 3.896 20 10 GHCDHN C[C@H](Cc1ccsc1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236621 1041670653 /nfs/dbraw/zinc/67/06/53/1041670653.db2.gz IIEVPUNCUZKDLZ-UZLBHIALSA-N 0 3 388.581 3.689 20 10 GHCDHN COc1cc(CN2CC[C@@H](Oc3ccncc3C)C2)c(O)cc1Br ZINC001236749390 1041872145 /nfs/dbraw/zinc/87/21/45/1041872145.db2.gz BKYMVCGVHNVQNC-CQSZACIVSA-N 0 3 393.281 3.520 20 10 GHCDHN CCc1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c(O)c1 ZINC001236786689 1041892910 /nfs/dbraw/zinc/89/29/10/1041892910.db2.gz GRENSFHZXRNWME-QZNHQXDQSA-N 0 3 382.504 3.546 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c([O-])c1 ZINC001236786825 1041893196 /nfs/dbraw/zinc/89/31/96/1041893196.db2.gz PSWNAVVGFBLEDI-UHFFFAOYSA-N 0 3 398.522 3.961 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001236835788 1041922856 /nfs/dbraw/zinc/92/28/56/1041922856.db2.gz SPQYJSFZKVAHBI-HSZRJFAPSA-N 0 3 398.503 3.757 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001236835788 1041922857 /nfs/dbraw/zinc/92/28/57/1041922857.db2.gz SPQYJSFZKVAHBI-HSZRJFAPSA-N 0 3 398.503 3.757 20 10 GHCDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1C ZINC001236927778 1041961497 /nfs/dbraw/zinc/96/14/97/1041961497.db2.gz WKCZBMZWAWIUHC-SJORKVTESA-N 0 3 394.943 3.588 20 10 GHCDHN CN1CCN(c2ccc(CN3CCSC[C@@H]3c3ccccc3)c(F)c2)CC1 ZINC001236934061 1041964306 /nfs/dbraw/zinc/96/43/06/1041964306.db2.gz CELKYVVTAYEYQI-JOCHJYFZSA-N 0 3 385.552 3.868 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043487 1042004271 /nfs/dbraw/zinc/00/42/71/1042004271.db2.gz GMSAMDMOTPWMHM-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043487 1042004272 /nfs/dbraw/zinc/00/42/72/1042004272.db2.gz GMSAMDMOTPWMHM-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(Br)c2)C2(CC2)C1 ZINC001237094007 1042032760 /nfs/dbraw/zinc/03/27/60/1042032760.db2.gz RQBMLHBVWATFQL-HNNXBMFYSA-N 0 3 378.358 3.575 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237126038 1042054491 /nfs/dbraw/zinc/05/44/91/1042054491.db2.gz ZKADAYYSESXVFE-HLIPFELVSA-N 0 3 394.874 3.642 20 10 GHCDHN COc1ccccc1C(=O)NC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237128251 1042055002 /nfs/dbraw/zinc/05/50/02/1042055002.db2.gz NTWMZUFRHQENSB-UHFFFAOYSA-N 0 3 392.858 3.588 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCN(c3cccnn3)CC2)c(O)c1 ZINC001237209208 1042091833 /nfs/dbraw/zinc/09/18/33/1042091833.db2.gz VBSRVZSKZRAALO-UHFFFAOYSA-N 0 3 397.567 3.911 20 10 GHCDHN COC(=O)c1ccc([C@@H]2CCCCN2Cc2cc(OC)cc(OC)c2O)cc1 ZINC001237678164 1042319656 /nfs/dbraw/zinc/31/96/56/1042319656.db2.gz VMZAWTCUYBZZSN-IBGZPJMESA-N 0 3 385.460 3.923 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c1[O-] ZINC001237686601 1042326692 /nfs/dbraw/zinc/32/66/92/1042326692.db2.gz SFPMMECBSMEOIJ-HOTGVXAUSA-N 0 3 376.909 3.620 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cc(F)cc(C)c3[O-])CC2)c2ccccc21 ZINC001238060581 1042478760 /nfs/dbraw/zinc/47/87/60/1042478760.db2.gz JJPOIEYHTQGOIM-QGZVFWFLSA-N 0 3 396.506 3.997 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001294413793 1044612109 /nfs/dbraw/zinc/61/21/09/1044612109.db2.gz DNABBTXQFDGGHJ-BGYRXZFFSA-N 0 3 383.536 3.713 20 10 GHCDHN O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cc(Cl)c(Cl)cc2O)[nH]1 ZINC001279665532 1047905839 /nfs/dbraw/zinc/90/58/39/1047905839.db2.gz QECATMIOQAXZFR-GASCZTMLSA-N 0 3 394.302 3.648 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(Cl)c2F)N(C)C)cc1 ZINC001463282372 1070961540 /nfs/dbraw/zinc/96/15/40/1070961540.db2.gz OBQGMHFRJHSPIR-INIZCTEOSA-N 0 3 381.854 3.717 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3c2cccc3Cl)N(C)C)cc1 ZINC001463282748 1070961551 /nfs/dbraw/zinc/96/15/51/1070961551.db2.gz PKUAOIKHNGVFCE-CTNGQTDRSA-N 0 3 385.939 3.855 20 10 GHCDHN C[C@H](CSc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289600596 1049556141 /nfs/dbraw/zinc/55/61/41/1049556141.db2.gz ULVQGLRHXAWMAF-UTKZUKDTSA-N 0 3 385.577 3.900 20 10 GHCDHN COc1cc(C)c(C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001308637115 1050042657 /nfs/dbraw/zinc/04/26/57/1050042657.db2.gz OTMXTKGPMUTFMO-UHFFFAOYSA-N 0 3 378.513 3.836 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001308643480 1050044836 /nfs/dbraw/zinc/04/48/36/1050044836.db2.gz VNSYGDIUBHSMMY-IBGZPJMESA-N 0 3 375.875 3.749 20 10 GHCDHN COc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1Cn1cccn1 ZINC001308782782 1050091678 /nfs/dbraw/zinc/09/16/78/1050091678.db2.gz RFKNVSUFJCVSLC-HSZRJFAPSA-N 0 3 391.515 3.934 20 10 GHCDHN OC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 ZINC001324378229 1057122784 /nfs/dbraw/zinc/12/27/84/1057122784.db2.gz ZHMCLELFKIDVPO-LJQANCHMSA-N 0 3 375.310 3.873 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCn2nc(C)cc2C)c1[O-] ZINC000848514823 1057143596 /nfs/dbraw/zinc/14/35/96/1057143596.db2.gz QEVFSXCQJLAORE-ZDUSSCGKSA-N 0 3 382.302 3.718 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000848524778 1057149034 /nfs/dbraw/zinc/14/90/34/1057149034.db2.gz WVPSSFWRJJEEJN-BLLLJJGKSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@H](CO)c2ccc(F)cc2)c1O ZINC000848532889 1057154122 /nfs/dbraw/zinc/15/41/22/1057154122.db2.gz CTNVPJSROSHNFS-MEBBXXQBSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCc2ccccc2[N+](=O)[O-])c1O ZINC000848533868 1057155385 /nfs/dbraw/zinc/15/53/85/1057155385.db2.gz WHKRQOICRLPJBS-JTQLQIEISA-N 0 3 381.226 3.922 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)F)c(F)c2)N(C)C)cc1 ZINC001439961202 1058369042 /nfs/dbraw/zinc/36/90/42/1058369042.db2.gz PMWXLPXQGMCSBV-SFHVURJKSA-N 0 3 379.426 3.862 20 10 GHCDHN N[C@H]1CCc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc2NC1=O ZINC001340233056 1059782533 /nfs/dbraw/zinc/78/25/33/1059782533.db2.gz JKOAEANICWOKKL-FQEVSTJZSA-N 0 3 392.503 3.531 20 10 GHCDHN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC001454870301 1061948821 /nfs/dbraw/zinc/94/88/21/1061948821.db2.gz RLVWOPQQOAKUHJ-IBGZPJMESA-N 0 3 379.464 3.634 20 10 GHCDHN Cc1nc2ccccc2c(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001456930560 1062921669 /nfs/dbraw/zinc/92/16/69/1062921669.db2.gz ICPNFRHGRCZCTR-QFIPXVFZSA-N 0 3 390.531 3.950 20 10 GHCDHN C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC001477627112 1078497202 /nfs/dbraw/zinc/49/72/02/1078497202.db2.gz LMPRRXICNSDNAJ-SFHVURJKSA-N 0 3 394.563 3.950 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)[C@@H]3CCCN(C)C3)cc2Cl)C1 ZINC001478528524 1078906400 /nfs/dbraw/zinc/90/64/00/1078906400.db2.gz PEECJERFVPGHTP-SJLPKXTDSA-N 0 3 392.975 3.812 20 10 GHCDHN CC(C)c1ccc(OCCNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001473399830 1073950060 /nfs/dbraw/zinc/95/00/60/1073950060.db2.gz CQRVDZGZRABRIH-GOSISDBHSA-N 0 3 383.536 3.722 20 10 GHCDHN CC(C)CC1(NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001473661784 1074072353 /nfs/dbraw/zinc/07/23/53/1074072353.db2.gz DEEKNMIOVLKEGQ-UHFFFAOYSA-N 0 3 376.456 3.569 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC001473722972 1074108067 /nfs/dbraw/zinc/10/80/67/1074108067.db2.gz ULNDXSGVCCLCKM-QWHCGFSZSA-N 0 3 382.382 3.819 20 10 GHCDHN Cc1ccc(CC(C)(C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001479535374 1079224777 /nfs/dbraw/zinc/22/47/77/1079224777.db2.gz UXLDQEKCVNSGQO-QFIPXVFZSA-N 0 3 396.579 3.984 20 10 GHCDHN Cc1ccc(CC2CN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C2)cc1 ZINC001479535534 1079224865 /nfs/dbraw/zinc/22/48/65/1079224865.db2.gz VXIQUWPYHRBFTC-HSZRJFAPSA-N 0 3 394.563 3.548 20 10 GHCDHN Cn1cc(CNCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)n1 ZINC001473938884 1074211912 /nfs/dbraw/zinc/21/19/12/1074211912.db2.gz YVHSWRCVDAPAHA-UHFFFAOYSA-N 0 3 378.545 3.930 20 10 GHCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1C ZINC001474379906 1074375230 /nfs/dbraw/zinc/37/52/30/1074375230.db2.gz HYFHREHHLKGMCG-INIZCTEOSA-N 0 3 380.374 3.965 20 10 GHCDHN CCOC(=O)c1sc(CC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)nc1C ZINC001474686138 1074514451 /nfs/dbraw/zinc/51/44/51/1074514451.db2.gz MOCSWNBURBGGJE-UHFFFAOYSA-N 0 3 392.496 3.928 20 10 GHCDHN CCCOc1ccc(CN[C@@H]2CCc3cc(C(=O)OC)ccc3NC2=O)cc1C ZINC001474724957 1074534760 /nfs/dbraw/zinc/53/47/60/1074534760.db2.gz YGLCRSWXEYXRGH-HXUWFJFHSA-N 0 3 396.487 3.614 20 10 GHCDHN C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000824600353 608281402 /nfs/dbraw/zinc/28/14/02/608281402.db2.gz YTNVYVZOZRFELG-QGZVFWFLSA-N 0 3 392.507 3.587 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280040375 846272831 /nfs/dbraw/zinc/27/28/31/846272831.db2.gz IUNIRKUZMFTKLN-HXUWFJFHSA-N 0 3 390.549 3.769 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280227115 846337993 /nfs/dbraw/zinc/33/79/93/846337993.db2.gz VBTLSGHHXALEPJ-NRFANRHFSA-N 0 3 381.520 3.610 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766027926 861668231 /nfs/dbraw/zinc/66/82/31/861668231.db2.gz BCZOSPMSGONAIO-AWEZNQCLSA-N 0 3 382.476 3.908 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000273197044 847271246 /nfs/dbraw/zinc/27/12/46/847271246.db2.gz HXINRBXZKDOWEX-XXBNENTESA-N 0 3 392.547 3.914 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)c([O-])c1 ZINC000760030319 854019092 /nfs/dbraw/zinc/01/90/92/854019092.db2.gz BONONCUZXGIOOZ-HUUCEWRRSA-N 0 3 378.310 3.965 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c([O-])c1 ZINC000760042112 855823750 /nfs/dbraw/zinc/82/37/50/855823750.db2.gz SPSNJWGKHQDUOW-GOEBONIOSA-N 0 3 378.310 3.965 20 10 GHCDHN CCC(=O)N1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000128729447 858856780 /nfs/dbraw/zinc/85/67/80/858856780.db2.gz ZHYSWRLCEZTKHZ-UHFFFAOYSA-N 0 3 391.309 3.752 20 10 GHCDHN CCC(=O)N1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000128729447 858856788 /nfs/dbraw/zinc/85/67/88/858856788.db2.gz ZHYSWRLCEZTKHZ-UHFFFAOYSA-N 0 3 391.309 3.752 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000763446774 881359327 /nfs/dbraw/zinc/35/93/27/881359327.db2.gz YIORIESEJBSFLW-MJGOQNOKSA-N 0 3 394.284 3.858 20 10 GHCDHN COc1ccc(OCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000764709378 859569130 /nfs/dbraw/zinc/56/91/30/859569130.db2.gz WWFHZJGMABRNTF-INIZCTEOSA-N 0 3 390.911 3.915 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCSc4ccccc43)cc2)C1 ZINC000765246836 859864872 /nfs/dbraw/zinc/86/48/72/859864872.db2.gz XPNDPRBWTQFOLT-YLJYHZDGSA-N 0 3 381.545 3.715 20 10 GHCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000765264712 859871409 /nfs/dbraw/zinc/87/14/09/859871409.db2.gz CZLYBAYEEHARMD-KRWDZBQOSA-N 0 3 389.565 3.680 20 10 GHCDHN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(OC)c3[O-])C2)n1 ZINC000922865299 860678051 /nfs/dbraw/zinc/67/80/51/860678051.db2.gz IWRZCRBZYRNFAC-MFKMUULPSA-N 0 3 396.285 3.535 20 10 GHCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000738057808 865490325 /nfs/dbraw/zinc/49/03/25/865490325.db2.gz SHJBOLUMLKJPQX-CYBMUJFWSA-N 0 3 378.266 3.693 20 10 GHCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000738057808 865490333 /nfs/dbraw/zinc/49/03/33/865490333.db2.gz SHJBOLUMLKJPQX-CYBMUJFWSA-N 0 3 378.266 3.693 20 10 GHCDHN COCc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000174278096 865699317 /nfs/dbraw/zinc/69/93/17/865699317.db2.gz VCURLMKMWAXJQB-UHFFFAOYSA-N 0 3 394.437 3.978 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000741257719 866357761 /nfs/dbraw/zinc/35/77/61/866357761.db2.gz IJGDGCJDURHXGH-VWLOTQADSA-N 0 3 388.511 3.786 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000742392563 867258276 /nfs/dbraw/zinc/25/82/76/867258276.db2.gz QUILDNXOGSAKGO-PUHATCMVSA-N 0 3 377.532 3.779 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c([O-])c1 ZINC000793386344 882162524 /nfs/dbraw/zinc/16/25/24/882162524.db2.gz MTGSXBQHTWBRKT-UHFFFAOYSA-N 0 3 386.455 3.938 20 10 GHCDHN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccccc1O)c1cccc(OC)c1 ZINC000121627118 869257465 /nfs/dbraw/zinc/25/74/65/869257465.db2.gz WQKFVXHLNAORSA-HXUWFJFHSA-N 0 3 385.508 3.625 20 10 GHCDHN CCc1nc2c(s1)[C@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000151534293 869510690 /nfs/dbraw/zinc/51/06/90/869510690.db2.gz WRZOTLPTQGIKPA-QGZVFWFLSA-N 0 3 389.540 3.973 20 10 GHCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000775565426 870860899 /nfs/dbraw/zinc/86/08/99/870860899.db2.gz KBABKQSIJUVXHP-GRDNDAEWSA-N 0 3 377.481 3.840 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC3(CCCCC3)CC1)cc2=O ZINC001193430156 871104644 /nfs/dbraw/zinc/10/46/44/871104644.db2.gz DXHNIYZTBQVBPI-UHFFFAOYSA-N 0 3 386.496 3.548 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181526381 871145580 /nfs/dbraw/zinc/14/55/80/871145580.db2.gz VJNQGZYGYVTYOM-QAPCUYQASA-N 0 3 383.458 3.881 20 10 GHCDHN COc1cc(OC)c(C2CC[NH+](Cc3c([O-])cccc3OC)CC2)c(OC)c1 ZINC000768231288 873180958 /nfs/dbraw/zinc/18/09/58/873180958.db2.gz VTBRHDONEFHCNV-UHFFFAOYSA-N 0 3 387.476 3.806 20 10 GHCDHN CCOCCCNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768317240 873248616 /nfs/dbraw/zinc/24/86/16/873248616.db2.gz AIEYIWJKWXTZJZ-UHFFFAOYSA-N 0 3 396.531 3.814 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768439424 873303651 /nfs/dbraw/zinc/30/36/51/873303651.db2.gz LOWLOZYTVDYMEL-HNAYVOBHSA-N 0 3 375.852 3.515 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768439424 873303668 /nfs/dbraw/zinc/30/36/68/873303668.db2.gz LOWLOZYTVDYMEL-HNAYVOBHSA-N 0 3 375.852 3.515 20 10 GHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1Br)[C@@H](O)CO2 ZINC000768464212 873327564 /nfs/dbraw/zinc/32/75/64/873327564.db2.gz OLYLVMFDQQCSPC-WMZOPIPTSA-N 0 3 390.277 3.918 20 10 GHCDHN COc1ccc([C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C2CC2)cn1 ZINC000527840241 873658451 /nfs/dbraw/zinc/65/84/51/873658451.db2.gz CZABNLRKSRERRV-QGZVFWFLSA-N 0 3 393.281 3.808 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000769206529 873889314 /nfs/dbraw/zinc/88/93/14/873889314.db2.gz OVAKDTTVLDJVMU-OAHLLOKOSA-N 0 3 387.455 3.574 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000769206529 873889333 /nfs/dbraw/zinc/88/93/33/873889333.db2.gz OVAKDTTVLDJVMU-OAHLLOKOSA-N 0 3 387.455 3.574 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000769232784 873907814 /nfs/dbraw/zinc/90/78/14/873907814.db2.gz LTVCPMRBWSHETO-HNNXBMFYSA-N 0 3 383.423 3.970 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000769232784 873907820 /nfs/dbraw/zinc/90/78/20/873907820.db2.gz LTVCPMRBWSHETO-HNNXBMFYSA-N 0 3 383.423 3.970 20 10 GHCDHN COc1cc(O)c(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000775820343 874215408 /nfs/dbraw/zinc/21/54/08/874215408.db2.gz RCCNWOXPSJCFOX-UHFFFAOYSA-N 0 3 379.840 3.514 20 10 GHCDHN Cc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000771038872 875010222 /nfs/dbraw/zinc/01/02/22/875010222.db2.gz KOIVKLCTEIERIZ-OAQYLSRUSA-N 0 3 395.547 3.694 20 10 GHCDHN CN(C)c1ccc([C@H](CNCc2ccnc(F)c2)NC(=O)OC(C)(C)C)cc1 ZINC000858156072 882893486 /nfs/dbraw/zinc/89/34/86/882893486.db2.gz KXLZVMCRHULNQU-SFHVURJKSA-N 0 3 388.487 3.642 20 10 GHCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000776002356 875099507 /nfs/dbraw/zinc/09/95/07/875099507.db2.gz SUWVFDXPYYDIFJ-XLIONFOSSA-N 0 3 398.503 3.928 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000776081269 875310254 /nfs/dbraw/zinc/31/02/54/875310254.db2.gz OPRMWBWGOBRYDR-LJQANCHMSA-N 0 3 382.552 3.805 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](CO)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000850401911 876883128 /nfs/dbraw/zinc/88/31/28/876883128.db2.gz BRYLRMVZOVHHBM-IBGZPJMESA-N 0 3 394.346 3.568 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cnn(-c4ccc(Cl)cc4)c3)cc2)CC1 ZINC000850405972 876886964 /nfs/dbraw/zinc/88/69/64/876886964.db2.gz MDWIIDJYQNEBGT-UHFFFAOYSA-N 0 3 396.922 3.777 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1csc(Cl)c1 ZINC000786897653 877015137 /nfs/dbraw/zinc/01/51/37/877015137.db2.gz HUGJCDIVNJCBSY-UKRRQHHQSA-N 0 3 377.941 3.954 20 10 GHCDHN CCOC[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000530107869 877108479 /nfs/dbraw/zinc/10/84/79/877108479.db2.gz URMXCHDGPJHLGB-OAHLLOKOSA-N 0 3 380.282 3.545 20 10 GHCDHN C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1[O-] ZINC000109772251 877428245 /nfs/dbraw/zinc/42/82/45/877428245.db2.gz OJMZZLGVBJWGEU-UHFFFAOYSA-N 0 3 381.245 3.754 20 10 GHCDHN C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1[O-] ZINC000109772251 877428254 /nfs/dbraw/zinc/42/82/54/877428254.db2.gz OJMZZLGVBJWGEU-UHFFFAOYSA-N 0 3 381.245 3.754 20 10 GHCDHN CN(Cc1cn(C)nc1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000179617280 877780901 /nfs/dbraw/zinc/78/09/01/877780901.db2.gz CVGZZIXVWTYYLQ-UHFFFAOYSA-N 0 3 376.504 3.556 20 10 GHCDHN Cc1cc(C)c([C@@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(O)c1 ZINC000788564672 878160299 /nfs/dbraw/zinc/16/02/99/878160299.db2.gz SYNUYWGQIRZOLB-MRXNPFEDSA-N 0 3 390.549 3.937 20 10 GHCDHN CC1(C)C[C@H](NCc2ccc(N3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000788578635 878181440 /nfs/dbraw/zinc/18/14/40/878181440.db2.gz CJSLUHZIDUJHMA-NRFANRHFSA-N 0 3 381.476 3.944 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788644890 878204935 /nfs/dbraw/zinc/20/49/35/878204935.db2.gz VNQYTUHSXLZPKU-HNNXBMFYSA-N 0 3 396.578 3.952 20 10 GHCDHN CN(C)c1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000113355347 880521744 /nfs/dbraw/zinc/52/17/44/880521744.db2.gz YVJHUGUUWVSWFZ-UHFFFAOYSA-N 0 3 389.503 3.759 20 10 GHCDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000806634125 884887768 /nfs/dbraw/zinc/88/77/68/884887768.db2.gz DCJUPFAVBDLSAG-VQIMIIECSA-N 0 3 384.524 3.591 20 10 GHCDHN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H](c1ccccc1)N(C)C ZINC000807403176 885429929 /nfs/dbraw/zinc/42/99/29/885429929.db2.gz WATUPDCNNLDZTQ-AOMKIAJQSA-N 0 3 381.520 3.762 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1[O-] ZINC000808682790 886640346 /nfs/dbraw/zinc/64/03/46/886640346.db2.gz VOQZDUZHIFFMGH-OAHLLOKOSA-N 0 3 388.895 3.677 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)cc(C)c3[O-])[C@H]2C1 ZINC000808722804 886706367 /nfs/dbraw/zinc/70/63/67/886706367.db2.gz GRRPVVGKNLBJON-GLFJAGTFSA-N 0 3 395.341 3.761 20 10 GHCDHN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(C)c(C)cc1O ZINC000915825461 887594331 /nfs/dbraw/zinc/59/43/31/887594331.db2.gz VTAIQEYIXFBQMQ-IBGZPJMESA-N 0 3 399.487 3.689 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000809758349 887800892 /nfs/dbraw/zinc/80/08/92/887800892.db2.gz KFNXEQNCPCRXGV-UHFFFAOYSA-N 0 3 399.384 4.000 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])[C@H]2C1 ZINC000809787485 887839462 /nfs/dbraw/zinc/83/94/62/887839462.db2.gz FSQQQQQRUYHJFR-ACIOBRDBSA-N 0 3 394.515 3.708 20 10 GHCDHN CC[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(C)cc1[O-] ZINC000794798818 888067711 /nfs/dbraw/zinc/06/77/11/888067711.db2.gz YUHZSFAIPRHXMB-OAQYLSRUSA-N 0 3 382.504 3.641 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794801105 888071358 /nfs/dbraw/zinc/07/13/58/888071358.db2.gz HFMUPJUXVUVICW-FQEVSTJZSA-N 0 3 390.549 3.970 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cscc3C(F)(F)F)cc2)C1 ZINC000810134165 888202577 /nfs/dbraw/zinc/20/25/77/888202577.db2.gz XGNFHCSDOIESCR-CQSZACIVSA-N 0 3 397.466 3.758 20 10 GHCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210420 888323089 /nfs/dbraw/zinc/32/30/89/888323089.db2.gz UMGWJUGZUPQJMG-ZWKOTPCHSA-N 0 3 387.490 3.724 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2csc(-c3ccccc3)n2)N(C)C)cc1 ZINC001134681947 893217377 /nfs/dbraw/zinc/21/73/77/893217377.db2.gz OCRZNUGSJUMHGL-HXUWFJFHSA-N 0 3 394.544 3.909 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2OC2CCC2)N(C)C)cc1 ZINC001134682113 893219482 /nfs/dbraw/zinc/21/94/82/893219482.db2.gz VRXRVFOKFOLNLK-NRFANRHFSA-N 0 3 381.520 3.717 20 10 GHCDHN Cc1nccn1-c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000876971011 893415671 /nfs/dbraw/zinc/41/56/71/893415671.db2.gz JOOGFKNKESYIJY-UHFFFAOYSA-N 0 3 394.494 3.571 20 10 GHCDHN OC1CCN(c2ccc(CN3CCC(c4nc(C5CCC5)no4)CC3)cc2)CC1 ZINC000877736138 893783925 /nfs/dbraw/zinc/78/39/25/893783925.db2.gz OPWSTDCJANMYNX-UHFFFAOYSA-N 0 3 396.535 3.678 20 10 GHCDHN CCOC(=O)Cn1cc(C[NH2+][C@H](C)c2ccccc2[O-])c(-c2ccccc2)n1 ZINC000877757556 893796210 /nfs/dbraw/zinc/79/62/10/893796210.db2.gz MUWXQDFHIBAYFA-MRXNPFEDSA-N 0 3 379.460 3.670 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817943549 895972142 /nfs/dbraw/zinc/97/21/42/895972142.db2.gz VHAVFKQONHJHJB-SCLBCKFNSA-N 0 3 392.341 3.880 20 10 GHCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3nnn(-c4ccccc4)c3C)C2)cc1 ZINC000818345504 896125966 /nfs/dbraw/zinc/12/59/66/896125966.db2.gz VRSVRQJKVVHXRG-HKUYNNGSSA-N 0 3 391.519 3.761 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(CN4CCCC4)c3)C2)cc1 ZINC000819583749 896832663 /nfs/dbraw/zinc/83/26/63/896832663.db2.gz VGNIJGIZTIXGHU-FQEVSTJZSA-N 0 3 393.531 3.547 20 10 GHCDHN CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000819900911 897042787 /nfs/dbraw/zinc/04/27/87/897042787.db2.gz LLVGZTHEQAKIOU-GOSISDBHSA-N 0 3 381.394 3.901 20 10 GHCDHN CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000819900911 897042797 /nfs/dbraw/zinc/04/27/97/897042797.db2.gz LLVGZTHEQAKIOU-GOSISDBHSA-N 0 3 381.394 3.901 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000821392418 897859958 /nfs/dbraw/zinc/85/99/58/897859958.db2.gz ZFODNMJDBDSUHU-UYAOXDASSA-N 0 3 388.552 3.658 20 10 GHCDHN CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000821392418 897859961 /nfs/dbraw/zinc/85/99/61/897859961.db2.gz ZFODNMJDBDSUHU-UYAOXDASSA-N 0 3 388.552 3.658 20 10 GHCDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1NC(C)=O ZINC000155338560 898642245 /nfs/dbraw/zinc/64/22/45/898642245.db2.gz QIUJJLONWUONHV-DLBZAZTESA-N 0 3 397.519 3.902 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N2CCCC2)cc1 ZINC000303170323 914398823 /nfs/dbraw/zinc/39/88/23/914398823.db2.gz RAUVVZHUWVZFOR-JOCHJYFZSA-N 0 3 398.526 3.836 20 10 GHCDHN COc1ccc([C@@H](NCc2ccc(N3CCN(C)CC3)cc2)c2ccco2)cc1 ZINC000825316397 900088153 /nfs/dbraw/zinc/08/81/53/900088153.db2.gz NFTVTSLEUYMSNK-XMMPIXPASA-N 0 3 391.515 3.919 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)nc1 ZINC000289920144 914423644 /nfs/dbraw/zinc/42/36/44/914423644.db2.gz VCSHPPDDGAHMHK-AWEZNQCLSA-N 0 3 376.298 3.532 20 10 GHCDHN COc1cc(C)ccc1[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746763 901249632 /nfs/dbraw/zinc/24/96/32/901249632.db2.gz BLDOUSNPLZZCGP-KRWDZBQOSA-N 0 3 381.520 3.556 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc2ccccc2n1 ZINC000886746986 901251486 /nfs/dbraw/zinc/25/14/86/901251486.db2.gz IFENFTKNAMUYNK-KRWDZBQOSA-N 0 3 388.515 3.787 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2c([O-])cc(O)cc2O)C2CCC2)CC1 ZINC001144516079 902320860 /nfs/dbraw/zinc/32/08/60/902320860.db2.gz OSCFGGDXRQNZET-UHFFFAOYSA-N 0 3 392.496 3.557 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2c([O-])cc(O)cc2O)C2CCC2)CC1 ZINC001144516079 902320866 /nfs/dbraw/zinc/32/08/66/902320866.db2.gz OSCFGGDXRQNZET-UHFFFAOYSA-N 0 3 392.496 3.557 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cnnn3-c3ccccc3)C2)cc1 ZINC000845944940 902548064 /nfs/dbraw/zinc/54/80/64/902548064.db2.gz VYNAICRSRBKCKI-MRXNPFEDSA-N 0 3 399.445 3.627 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCc2c(Cl)cccc2N2CCOCC2)c1 ZINC000845970894 902551497 /nfs/dbraw/zinc/55/14/97/902551497.db2.gz FMHKEHWVHNUGEN-AWEZNQCLSA-N 0 3 376.884 3.742 20 10 GHCDHN Cc1cc(O)c(CNc2ccc(OCCCN3CCN(C)CC3)cc2)cc1C ZINC000846049182 902635753 /nfs/dbraw/zinc/63/57/53/902635753.db2.gz BPPGTJLHYARDSE-UHFFFAOYSA-N 0 3 383.536 3.637 20 10 GHCDHN CCn1cc(CN(Cc2cc(Br)cc(OC)c2O)C(C)C)cn1 ZINC000846055266 902642447 /nfs/dbraw/zinc/64/24/47/902642447.db2.gz KDVILCXIHRKFRF-UHFFFAOYSA-N 0 3 382.302 3.790 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000846113962 902690440 /nfs/dbraw/zinc/69/04/40/902690440.db2.gz RGSPQIVFVIPSAX-WSTZPKSXSA-N 0 3 390.524 3.819 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000846113962 902690445 /nfs/dbraw/zinc/69/04/45/902690445.db2.gz RGSPQIVFVIPSAX-WSTZPKSXSA-N 0 3 390.524 3.819 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000779007716 902724951 /nfs/dbraw/zinc/72/49/51/902724951.db2.gz YXRCFBJGGXROAP-KKUMJFAQSA-N 0 3 385.346 3.613 20 10 GHCDHN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000779014118 902837532 /nfs/dbraw/zinc/83/75/32/902837532.db2.gz VUDBNASHKXEENT-CQSZACIVSA-N 0 3 391.309 3.852 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000779018686 902930444 /nfs/dbraw/zinc/93/04/44/902930444.db2.gz ONAFWABJFCOASB-JQWIXIFHSA-N 0 3 381.236 3.750 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1[O-] ZINC000779024672 903076726 /nfs/dbraw/zinc/07/67/26/903076726.db2.gz OEXVMXMSDBKVFA-PBHICJAKSA-N 0 3 397.357 3.757 20 10 GHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F ZINC000151525685 904149082 /nfs/dbraw/zinc/14/90/82/904149082.db2.gz CUGCZTZZIJITBW-AWEZNQCLSA-N 0 3 376.447 3.785 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000151541883 904153291 /nfs/dbraw/zinc/15/32/91/904153291.db2.gz DGKIOOJSNPALBB-HXUWFJFHSA-N 0 3 387.455 3.936 20 10 GHCDHN COc1cc(O)c(CN2CCN(c3cccc4cnccc43)C[C@@H]2C)cc1OC ZINC000773331294 904731912 /nfs/dbraw/zinc/73/19/12/904731912.db2.gz FCMNSOVCMDGOPL-INIZCTEOSA-N 0 3 393.487 3.668 20 10 GHCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000303481194 914868446 /nfs/dbraw/zinc/86/84/46/914868446.db2.gz JDBIXHJJNOVWPY-XMMPIXPASA-N 0 3 395.547 3.673 20 10 GHCDHN COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001172215344 905418619 /nfs/dbraw/zinc/41/86/19/905418619.db2.gz OGPNYOKQQMQDEE-UHFFFAOYSA-N 0 3 389.879 3.894 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3[O-])CC[C@H]2C1 ZINC001172516395 905611186 /nfs/dbraw/zinc/61/11/86/905611186.db2.gz WDXSOKCRGZMXHV-IHPCNDPISA-N 0 3 380.488 3.518 20 10 GHCDHN COc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1F ZINC001177334100 908530417 /nfs/dbraw/zinc/53/04/17/908530417.db2.gz JVEHLWPZLWDRRG-HUUCEWRRSA-N 0 3 376.447 3.877 20 10 GHCDHN COC(=O)c1coc([C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000774170171 911467185 /nfs/dbraw/zinc/46/71/85/911467185.db2.gz VXEBSJDWOLIERY-ZDUSSCGKSA-N 0 3 394.418 3.987 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1 ZINC000774486750 911791971 /nfs/dbraw/zinc/79/19/71/911791971.db2.gz YKHLVDKLRCHFEN-CVEARBPZSA-N 0 3 383.492 3.592 20 10 GHCDHN c1cc2c(c([C@H]3CCCN3Cc3ccc(N4CCOCC4)cc3)c1)OCCO2 ZINC000092968679 911973636 /nfs/dbraw/zinc/97/36/36/911973636.db2.gz QOSPCHMQLWGSGY-OAQYLSRUSA-N 0 3 380.488 3.632 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1[O-] ZINC001182910816 912140145 /nfs/dbraw/zinc/14/01/45/912140145.db2.gz QNBOCZIVZBJLIV-LJQANCHMSA-N 0 3 376.294 3.947 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1[O-] ZINC001182910816 912140153 /nfs/dbraw/zinc/14/01/53/912140153.db2.gz QNBOCZIVZBJLIV-LJQANCHMSA-N 0 3 376.294 3.947 20 10 GHCDHN CCc1cccc(C)c1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259632 916698055 /nfs/dbraw/zinc/69/80/55/916698055.db2.gz JTLPCZAIZVRJRQ-GOSISDBHSA-N 0 3 381.520 3.683 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000294909395 917047920 /nfs/dbraw/zinc/04/79/20/917047920.db2.gz WJJOXIVJRLQDFM-FPOVZHCZSA-N 0 3 383.488 3.578 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCc1cccc2c1OC(F)(F)O2)C[C@@H]1CCCO1 ZINC001192014169 918358592 /nfs/dbraw/zinc/35/85/92/918358592.db2.gz QJQLWYLZASDRDL-KRWDZBQOSA-N 0 3 391.414 3.937 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCc1cccc2c1OC(F)(F)O2)C[C@@H]1CCCO1 ZINC001192014169 918358609 /nfs/dbraw/zinc/35/86/09/918358609.db2.gz QJQLWYLZASDRDL-KRWDZBQOSA-N 0 3 391.414 3.937 20 10 GHCDHN COc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1O ZINC000113359187 919366596 /nfs/dbraw/zinc/36/65/96/919366596.db2.gz QARDRCGIEBURFB-QGZVFWFLSA-N 0 3 376.884 3.514 20 10 GHCDHN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000116396629 919506780 /nfs/dbraw/zinc/50/67/80/919506780.db2.gz USKKYWGPRMWULS-JOCHJYFZSA-N 0 3 392.547 3.600 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000800896779 920576656 /nfs/dbraw/zinc/57/66/56/920576656.db2.gz SECGIECSEQDFBG-MRXNPFEDSA-N 0 3 380.282 3.603 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000903359998 922957830 /nfs/dbraw/zinc/95/78/30/922957830.db2.gz JXUNYDPAGRPFTG-SCLBCKFNSA-N 0 3 394.313 3.553 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000749114488 924029010 /nfs/dbraw/zinc/02/90/10/924029010.db2.gz FGGNVHKGFYPCHG-QFYYESIMSA-N 0 3 384.245 3.514 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1[O-] ZINC000827320299 925269204 /nfs/dbraw/zinc/26/92/04/925269204.db2.gz JQOBWXPSDHGFCG-YOEHRIQHSA-N 0 3 378.314 3.698 20 10 GHCDHN CCOc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc(Cl)c1[O-] ZINC000827663162 925914801 /nfs/dbraw/zinc/91/48/01/925914801.db2.gz ZGDGPYJAZWRZAB-UHFFFAOYSA-N 0 3 390.911 3.695 20 10 GHCDHN CCOc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cc(Cl)c1O ZINC000827663162 925914811 /nfs/dbraw/zinc/91/48/11/925914811.db2.gz ZGDGPYJAZWRZAB-UHFFFAOYSA-N 0 3 390.911 3.695 20 10 GHCDHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000749973697 927377765 /nfs/dbraw/zinc/37/77/65/927377765.db2.gz ZYQZIQKYLIDVQK-INIZCTEOSA-N 0 3 378.513 3.837 20 10 GHCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000759757670 930479210 /nfs/dbraw/zinc/47/92/10/930479210.db2.gz UYLKCCSUZPPVST-SFHVURJKSA-N 0 3 378.266 3.693 20 10 GHCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000759757670 930479213 /nfs/dbraw/zinc/47/92/13/930479213.db2.gz UYLKCCSUZPPVST-SFHVURJKSA-N 0 3 378.266 3.693 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1[O-] ZINC000799348417 932961377 /nfs/dbraw/zinc/96/13/77/932961377.db2.gz BPQMRWWWSUTMMY-UHFFFAOYSA-N 0 3 375.266 3.977 20 10 GHCDHN CC[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001221623439 1032486509 /nfs/dbraw/zinc/48/65/09/1032486509.db2.gz MYDMHPAJGXKPPJ-AVRDEDQJSA-N 0 3 382.552 3.848 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276573 1032716727 /nfs/dbraw/zinc/71/67/27/1032716727.db2.gz NKNZLSHZRWWJPE-IAGOWNOFSA-N 0 3 390.524 3.957 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276573 1032716743 /nfs/dbraw/zinc/71/67/43/1032716743.db2.gz NKNZLSHZRWWJPE-IAGOWNOFSA-N 0 3 390.524 3.957 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276060 1032717129 /nfs/dbraw/zinc/71/71/29/1032717129.db2.gz FHBXRLYJDHZMFK-UHFFFAOYSA-N 0 3 376.497 3.711 20 10 GHCDHN OC1CCN(c2ccc(CN3CC4(CC(OCc5ccccc5)C4)C3)cc2)CC1 ZINC001140288723 1021322441 /nfs/dbraw/zinc/32/24/41/1021322441.db2.gz YHXPOPKEXKOCBN-UHFFFAOYSA-N 0 3 392.543 3.829 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCc4ccc(C(C)=O)cc4C3)cc2)CC1 ZINC001140306760 1021364363 /nfs/dbraw/zinc/36/43/63/1021364363.db2.gz WSVOSMZVNDZION-UHFFFAOYSA-N 0 3 377.532 3.589 20 10 GHCDHN COC(=O)c1ccc(CN2CCN(Cc3c(O)cccc3Cl)[C@H](C)C2)cc1 ZINC001140341246 1021451803 /nfs/dbraw/zinc/45/18/03/1021451803.db2.gz GIMYAXIMFNXWHM-OAHLLOKOSA-N 0 3 388.895 3.539 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)CC2 ZINC000834783374 1021469463 /nfs/dbraw/zinc/46/94/63/1021469463.db2.gz HJDILBBBFWRICJ-RHSMWYFYSA-N 0 3 376.294 3.583 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000802659618 1021515655 /nfs/dbraw/zinc/51/56/55/1021515655.db2.gz QKXQPRXUZGQLTA-UHFFFAOYSA-N 0 3 384.867 3.800 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000802659618 1021515664 /nfs/dbraw/zinc/51/56/64/1021515664.db2.gz QKXQPRXUZGQLTA-UHFFFAOYSA-N 0 3 384.867 3.800 20 10 GHCDHN CC[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(C)cc1[O-] ZINC000834904161 1021656440 /nfs/dbraw/zinc/65/64/40/1021656440.db2.gz NLMJPLVABRGAPU-FUHWJXTLSA-N 0 3 378.513 3.767 20 10 GHCDHN COC[C@H](NCc1cc(Br)cc(C)c1O)c1cccc(OC)c1 ZINC000827012467 1021895912 /nfs/dbraw/zinc/89/59/12/1021895912.db2.gz XMPPNHBBEIPAIH-KRWDZBQOSA-N 0 3 380.282 3.949 20 10 GHCDHN COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])c1cccc(OC)c1 ZINC000827012467 1021895933 /nfs/dbraw/zinc/89/59/33/1021895933.db2.gz XMPPNHBBEIPAIH-KRWDZBQOSA-N 0 3 380.282 3.949 20 10 GHCDHN CCO[C@H]1C[C@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C12CCC2 ZINC001204664370 1033019792 /nfs/dbraw/zinc/01/97/92/1033019792.db2.gz HMHKDNXCMAVOHC-OALUTQOASA-N 0 3 388.483 3.884 20 10 GHCDHN Cc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 ZINC001140623804 1022097919 /nfs/dbraw/zinc/09/79/19/1022097919.db2.gz SGOKHQDYECPLHE-HUUCEWRRSA-N 0 3 388.430 3.978 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(Cc3ccccc3OC)CC2)c(O)c1 ZINC001140855436 1022710267 /nfs/dbraw/zinc/71/02/67/1022710267.db2.gz YXZZRGOWDJZOSU-UHFFFAOYSA-N 0 3 383.536 3.565 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c(Cl)c1 ZINC001140923527 1022898339 /nfs/dbraw/zinc/89/83/39/1022898339.db2.gz BFWOVDMCTCQQQV-LPHOPBHVSA-N 0 3 390.984 3.959 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950094 1022971345 /nfs/dbraw/zinc/97/13/45/1022971345.db2.gz MUFXZJURKAIEJN-BJKOFHAPSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950094 1022971351 /nfs/dbraw/zinc/97/13/51/1022971351.db2.gz MUFXZJURKAIEJN-BJKOFHAPSA-N 0 3 396.531 3.992 20 10 GHCDHN Clc1ccc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)nn1 ZINC001141078215 1023443899 /nfs/dbraw/zinc/44/38/99/1023443899.db2.gz PJHDZNVTFFFTEK-UHFFFAOYSA-N 0 3 398.938 3.872 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756569985 1023716529 /nfs/dbraw/zinc/71/65/29/1023716529.db2.gz TZLWQUHXVZOIFD-POAQFYNOSA-N 0 3 384.495 3.613 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000756611269 1023736974 /nfs/dbraw/zinc/73/69/74/1023736974.db2.gz UXGSIZANNAMCDF-SJKOYZFVSA-N 0 3 394.393 3.979 20 10 GHCDHN O=C(c1ccco1)N1CC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138218897 1024390805 /nfs/dbraw/zinc/39/08/05/1024390805.db2.gz XKNNPUQRMFRZSG-PZJWPPBQSA-N 0 3 379.504 3.616 20 10 GHCDHN CN1CCCc2cc(CN3CCC4(CN(c5cccc(F)c5)C4=O)CC3)ccc21 ZINC001138357122 1024721397 /nfs/dbraw/zinc/72/13/97/1024721397.db2.gz DEYIXOGTUAELCK-UHFFFAOYSA-N 0 3 393.506 3.837 20 10 GHCDHN Brc1cc(CN2CC[C@@H]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001138676914 1025202991 /nfs/dbraw/zinc/20/29/91/1025202991.db2.gz ZUKKNMHWRBKKPU-DLBZAZTESA-N 0 3 379.342 3.908 20 10 GHCDHN COC[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CCCO1 ZINC000839063603 1025552806 /nfs/dbraw/zinc/55/28/06/1025552806.db2.gz QBKUTJQLAJMAAT-PKOBYXMFSA-N 0 3 397.357 3.723 20 10 GHCDHN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139410937 1026281874 /nfs/dbraw/zinc/28/18/74/1026281874.db2.gz MPSIAHYBPVVMLV-HSZRJFAPSA-N 0 3 379.548 3.922 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc(OC4CC4)cc3)CC2)cc1 ZINC001164334112 1026489118 /nfs/dbraw/zinc/48/91/18/1026489118.db2.gz NHXMAOAAQKJHSE-UHFFFAOYSA-N 0 3 381.520 3.861 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140101560 1026880534 /nfs/dbraw/zinc/88/05/34/1026880534.db2.gz XUWOGYDXVWEUIY-VQIMIIECSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140101560 1026880542 /nfs/dbraw/zinc/88/05/42/1026880542.db2.gz XUWOGYDXVWEUIY-VQIMIIECSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140101241 1026881425 /nfs/dbraw/zinc/88/14/25/1026881425.db2.gz MZRBVFBCFYLJRR-CALCHBBNSA-N 0 3 387.321 3.719 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140101241 1026881430 /nfs/dbraw/zinc/88/14/30/1026881430.db2.gz MZRBVFBCFYLJRR-CALCHBBNSA-N 0 3 387.321 3.719 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3ccn(C)c3c2)N(C)C)cc1 ZINC001203487715 1027377143 /nfs/dbraw/zinc/37/71/43/1027377143.db2.gz FACFIFYCWOIGJL-OAQYLSRUSA-N 0 3 379.508 3.669 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cccc(F)c3Br)cc2)CC1 ZINC001203491164 1027378452 /nfs/dbraw/zinc/37/84/52/1027378452.db2.gz HYPGPKZZILLTQZ-UHFFFAOYSA-N 0 3 392.316 3.630 20 10 GHCDHN CCOc1cccc(CN2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203603042 1027466838 /nfs/dbraw/zinc/46/68/38/1027466838.db2.gz HFOZYXJVOKGXAE-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1cccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC001203603456 1027468335 /nfs/dbraw/zinc/46/83/35/1027468335.db2.gz QDIVEKFENWBMLI-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC001203603456 1027468340 /nfs/dbraw/zinc/46/83/40/1027468340.db2.gz QDIVEKFENWBMLI-HOTGVXAUSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cccc(O)c4)C3)C2)cc1 ZINC001203861232 1027667470 /nfs/dbraw/zinc/66/74/70/1027667470.db2.gz SSGDPVKOCLPDLN-HSZRJFAPSA-N 0 3 382.504 3.520 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1[O-] ZINC000840972014 1028009069 /nfs/dbraw/zinc/00/90/69/1028009069.db2.gz FBPDQTPSPSVINR-FQEVSTJZSA-N 0 3 375.896 3.974 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]Cc2ccc3c(c2)CCCN3)c1[O-] ZINC000841071092 1028091272 /nfs/dbraw/zinc/09/12/72/1028091272.db2.gz XMNSERAGOFIJOR-UHFFFAOYSA-N 0 3 377.282 3.811 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000841331574 1028441437 /nfs/dbraw/zinc/44/14/37/1028441437.db2.gz NVOLUSMDIBGQII-UHFFFAOYSA-N 0 3 390.281 3.812 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ncc(C(C)(C)C)s2)N(C)C)cc1 ZINC001215485219 1029236254 /nfs/dbraw/zinc/23/62/54/1029236254.db2.gz VWUPNICDPNPKST-MRXNPFEDSA-N 0 3 389.569 3.931 20 10 GHCDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@@H]1SC ZINC000842922214 1029687155 /nfs/dbraw/zinc/68/71/55/1029687155.db2.gz AKSBBMYKTFOBQY-XEKGUZQTSA-N 0 3 384.973 3.736 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4n[nH]cc43)CC2)cc1 ZINC001143101534 1029841944 /nfs/dbraw/zinc/84/19/44/1029841944.db2.gz HHSIAOQIUOXATM-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CSc3ccccc32)N(C)C)cc1 ZINC001222145296 1029977757 /nfs/dbraw/zinc/97/77/57/1029977757.db2.gz GMKDSDDWXLWXIM-MOPGFXCFSA-N 0 3 384.549 3.502 20 10 GHCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001222659599 1030263766 /nfs/dbraw/zinc/26/37/66/1030263766.db2.gz IATRHUDQEIAFHH-CQSZACIVSA-N 0 3 382.348 3.917 20 10 GHCDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@]2(N)CCc3cc(F)ccc3C2)cc1 ZINC001218955316 1031173308 /nfs/dbraw/zinc/17/33/08/1031173308.db2.gz JFMNJYVHGBENMA-DEOSSOPVSA-N 0 3 389.474 3.828 20 10 GHCDHN C[C@H]1CC[C@@](CO)(NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC001461822169 1069772083 /nfs/dbraw/zinc/77/20/83/1069772083.db2.gz UCPNUHRGTIYPIB-SBUREZEXSA-N 0 3 384.495 3.537 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(OCC(F)(F)F)cc2)c(O)c1OC ZINC001205747200 1033556826 /nfs/dbraw/zinc/55/68/26/1033556826.db2.gz HGFPJBILKLVYCJ-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN CN(C(=O)c1ccc(NCc2ccc(Cl)cc2O)cc1)[C@@H]1CCCN(C)C1 ZINC001205765741 1033563355 /nfs/dbraw/zinc/56/33/55/1033563355.db2.gz FKEYPFLOZCMTMX-LJQANCHMSA-N 0 3 387.911 3.824 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1[O-] ZINC001207527755 1034431428 /nfs/dbraw/zinc/43/14/28/1034431428.db2.gz UNUOOXFKDBQOPA-QGZVFWFLSA-N 0 3 398.341 3.919 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]21 ZINC001231586988 1034740073 /nfs/dbraw/zinc/74/00/73/1034740073.db2.gz OMPXPOGRDBZXKO-FPOVZHCZSA-N 0 3 398.503 3.756 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]21 ZINC001231586988 1034740090 /nfs/dbraw/zinc/74/00/90/1034740090.db2.gz OMPXPOGRDBZXKO-FPOVZHCZSA-N 0 3 398.503 3.756 20 10 GHCDHN O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231588239 1034740700 /nfs/dbraw/zinc/74/07/00/1034740700.db2.gz JPYXZTUZVSQYNK-FQEVSTJZSA-N 0 3 387.483 3.579 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231587572 1034741360 /nfs/dbraw/zinc/74/13/60/1034741360.db2.gz NGEPCRDEVPXCHI-XMMPIXPASA-N 0 3 387.483 3.565 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231587572 1034741375 /nfs/dbraw/zinc/74/13/75/1034741375.db2.gz NGEPCRDEVPXCHI-XMMPIXPASA-N 0 3 387.483 3.565 20 10 GHCDHN O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231588241 1034742479 /nfs/dbraw/zinc/74/24/79/1034742479.db2.gz JPYXZTUZVSQYNK-HXUWFJFHSA-N 0 3 387.483 3.579 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001231588681 1034744642 /nfs/dbraw/zinc/74/46/42/1034744642.db2.gz OEXOZOVOXIPIPN-UHFFFAOYSA-N 0 3 390.531 3.786 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001231588681 1034744656 /nfs/dbraw/zinc/74/46/56/1034744656.db2.gz OEXOZOVOXIPIPN-UHFFFAOYSA-N 0 3 390.531 3.786 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC001231589863 1034744766 /nfs/dbraw/zinc/74/47/66/1034744766.db2.gz SCMIGDGLPQTGNS-QHCPKHFHSA-N 0 3 398.503 3.757 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1 ZINC001231589863 1034744780 /nfs/dbraw/zinc/74/47/80/1034744780.db2.gz SCMIGDGLPQTGNS-QHCPKHFHSA-N 0 3 398.503 3.757 20 10 GHCDHN COc1cc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)c(O)cc1O ZINC001231636536 1034794596 /nfs/dbraw/zinc/79/45/96/1034794596.db2.gz PYJMHVQQHHFTRE-UHFFFAOYSA-N 0 3 381.432 3.536 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]1C ZINC001231849754 1034941516 /nfs/dbraw/zinc/94/15/16/1034941516.db2.gz YEKJTASIXBXOMI-SJORKVTESA-N 0 3 391.556 3.886 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)cc1Cl ZINC001231870540 1034957616 /nfs/dbraw/zinc/95/76/16/1034957616.db2.gz HYZBWNABIUKXTC-CYBMUJFWSA-N 0 3 398.688 3.560 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)cc1Cl ZINC001231870540 1034957618 /nfs/dbraw/zinc/95/76/18/1034957618.db2.gz HYZBWNABIUKXTC-CYBMUJFWSA-N 0 3 398.688 3.560 20 10 GHCDHN CCOC(=O)c1cccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160619499 1035018780 /nfs/dbraw/zinc/01/87/80/1035018780.db2.gz ZQBQFPGYGIOXNY-NHCUHLMSSA-N 0 3 393.443 3.523 20 10 GHCDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1C ZINC001232204349 1035160067 /nfs/dbraw/zinc/16/00/67/1035160067.db2.gz LKMZTINIEYKTOT-AEFFLSMTSA-N 0 3 394.943 3.588 20 10 GHCDHN COC(=O)c1csc(-c2cccc(C[NH2+]Cc3c(C)cc(OC)cc3[O-])c2)n1 ZINC001462085987 1069987309 /nfs/dbraw/zinc/98/73/09/1069987309.db2.gz JSQBIXKWVOVZOM-UHFFFAOYSA-N 0 3 398.484 3.909 20 10 GHCDHN COC(=O)c1cccc(C[N@H+](C)Cc2cc(Br)cc(C)c2[O-])c1 ZINC001233110101 1038898207 /nfs/dbraw/zinc/89/82/07/1038898207.db2.gz TXAXQJSUDSPXSR-UHFFFAOYSA-N 0 3 378.266 3.882 20 10 GHCDHN COC(=O)c1cccc(C[N@@H+](C)Cc2cc(Br)cc(C)c2[O-])c1 ZINC001233110101 1038898240 /nfs/dbraw/zinc/89/82/40/1038898240.db2.gz TXAXQJSUDSPXSR-UHFFFAOYSA-N 0 3 378.266 3.882 20 10 GHCDHN COC(=O)c1cccc(CN(C)Cc2cc(Br)cc(C)c2O)c1 ZINC001233110101 1038898270 /nfs/dbraw/zinc/89/82/70/1038898270.db2.gz TXAXQJSUDSPXSR-UHFFFAOYSA-N 0 3 378.266 3.882 20 10 GHCDHN Cc1cccc(N2CCCN(Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC001233109585 1038898546 /nfs/dbraw/zinc/89/85/46/1038898546.db2.gz CMXGIVFWPGAEBW-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN CN1CCC[C@@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195706 1038961940 /nfs/dbraw/zinc/96/19/40/1038961940.db2.gz ONHPKYQGPKSDJU-RDTXWAMCSA-N 0 3 375.310 3.834 20 10 GHCDHN CN1CCC[C@@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195706 1038961941 /nfs/dbraw/zinc/96/19/41/1038961941.db2.gz ONHPKYQGPKSDJU-RDTXWAMCSA-N 0 3 375.310 3.834 20 10 GHCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196017 1038962996 /nfs/dbraw/zinc/96/29/96/1038962996.db2.gz QENWDBNAYMZRKT-CYBMUJFWSA-N 0 3 378.266 3.693 20 10 GHCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196017 1038963001 /nfs/dbraw/zinc/96/30/01/1038963001.db2.gz QENWDBNAYMZRKT-CYBMUJFWSA-N 0 3 378.266 3.693 20 10 GHCDHN CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233196149 1038963317 /nfs/dbraw/zinc/96/33/17/1038963317.db2.gz UMTRTRPPGDHWMD-VQFNDLOPSA-N 0 3 390.277 3.549 20 10 GHCDHN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233196149 1038963323 /nfs/dbraw/zinc/96/33/23/1038963323.db2.gz UMTRTRPPGDHWMD-VQFNDLOPSA-N 0 3 390.277 3.549 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1[O-] ZINC001233289032 1039070290 /nfs/dbraw/zinc/07/02/90/1039070290.db2.gz HKDIEPZWYDCSBC-DYESRHJHSA-N 0 3 395.927 3.709 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1[O-] ZINC001233289032 1039070310 /nfs/dbraw/zinc/07/03/10/1039070310.db2.gz HKDIEPZWYDCSBC-DYESRHJHSA-N 0 3 395.927 3.709 20 10 GHCDHN COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC001233454709 1039344561 /nfs/dbraw/zinc/34/45/61/1039344561.db2.gz GYMGJIYGOBFLLL-UHFFFAOYSA-N 0 3 394.393 3.520 20 10 GHCDHN Oc1cc(O)c(CN2CC=C(c3ccc(Br)cc3)CC2)cc1O ZINC001233487893 1039381525 /nfs/dbraw/zinc/38/15/25/1039381525.db2.gz VVZOAPCZMAGAJV-UHFFFAOYSA-N 0 3 376.250 3.855 20 10 GHCDHN COc1cccc(O[C@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233775722 1039605592 /nfs/dbraw/zinc/60/55/92/1039605592.db2.gz BAYJMAMIBYHOGS-AWEZNQCLSA-N 0 3 398.381 3.738 20 10 GHCDHN COc1cccc(O[C@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233775722 1039605603 /nfs/dbraw/zinc/60/56/03/1039605603.db2.gz BAYJMAMIBYHOGS-AWEZNQCLSA-N 0 3 398.381 3.738 20 10 GHCDHN COc1ccc(O[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)nc1 ZINC001234569560 1040137261 /nfs/dbraw/zinc/13/72/61/1040137261.db2.gz PHJBZEDDERCRBA-SFHVURJKSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc(O[C@H]2CC[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)nc1 ZINC001234569560 1040137268 /nfs/dbraw/zinc/13/72/68/1040137268.db2.gz PHJBZEDDERCRBA-SFHVURJKSA-N 0 3 380.444 3.611 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+]Cc1ccc(O)cc1[O-])CC2 ZINC001254870849 1040614870 /nfs/dbraw/zinc/61/48/70/1040614870.db2.gz DVYYTMSQEHDCDJ-UHFFFAOYSA-N 0 3 376.497 3.757 20 10 GHCDHN COc1cc([O-])c(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001236408267 1041704303 /nfs/dbraw/zinc/70/43/03/1041704303.db2.gz LXAVRMCNPZAQFZ-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)c([O-])c1 ZINC001236786025 1041891756 /nfs/dbraw/zinc/89/17/56/1041891756.db2.gz CHIXAVQDHFCPDM-UHFFFAOYSA-N 0 3 393.531 3.815 20 10 GHCDHN CN(CCNC(=O)OC(C)(C)C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236794162 1041898218 /nfs/dbraw/zinc/89/82/18/1041898218.db2.gz YQUZVIPMLISOKY-UHFFFAOYSA-N 0 3 386.492 3.928 20 10 GHCDHN CC[C@H]1[N@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001236807463 1041907834 /nfs/dbraw/zinc/90/78/34/1041907834.db2.gz DNLMHGQFHRUKKB-GGAORHGYSA-N 0 3 386.536 3.855 20 10 GHCDHN CC[C@H]1[N@@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001236807463 1041907839 /nfs/dbraw/zinc/90/78/39/1041907839.db2.gz DNLMHGQFHRUKKB-GGAORHGYSA-N 0 3 386.536 3.855 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817048 1041914880 /nfs/dbraw/zinc/91/48/80/1041914880.db2.gz CBUWGFDGPTWGDA-MRXNPFEDSA-N 0 3 378.513 3.788 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817048 1041914881 /nfs/dbraw/zinc/91/48/81/1041914881.db2.gz CBUWGFDGPTWGDA-MRXNPFEDSA-N 0 3 378.513 3.788 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001236828788 1041919919 /nfs/dbraw/zinc/91/99/19/1041919919.db2.gz FVAXMWUTMFIKCQ-XMMPIXPASA-N 0 3 389.499 3.812 20 10 GHCDHN COc1cccc(C(=O)NC2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)c1 ZINC001236836276 1041922698 /nfs/dbraw/zinc/92/26/98/1041922698.db2.gz GKLHSFFORCUNKM-UHFFFAOYSA-N 0 3 390.483 3.948 20 10 GHCDHN COc1ccc(N2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)c(OC)c1 ZINC001236836359 1041922792 /nfs/dbraw/zinc/92/27/92/1041922792.db2.gz HBZPSOIIHLFFMP-UHFFFAOYSA-N 0 3 378.472 3.885 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+](CC3CC3)C3CC3)cc2C1 ZINC001236844725 1041926494 /nfs/dbraw/zinc/92/64/94/1041926494.db2.gz BPLVQTVGYGVZRG-UHFFFAOYSA-N 0 3 388.508 3.896 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+](CC3CC3)C3CC3)cc2C1 ZINC001236844725 1041926495 /nfs/dbraw/zinc/92/64/95/1041926495.db2.gz BPLVQTVGYGVZRG-UHFFFAOYSA-N 0 3 388.508 3.896 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CCC4(CCC4)C3)cc2C1 ZINC001236852622 1041928375 /nfs/dbraw/zinc/92/83/75/1041928375.db2.gz RVWRUTMTSGXHBD-UHFFFAOYSA-N 0 3 388.508 3.898 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CCC4(CCC4)C3)cc2C1 ZINC001236852622 1041928378 /nfs/dbraw/zinc/92/83/78/1041928378.db2.gz RVWRUTMTSGXHBD-UHFFFAOYSA-N 0 3 388.508 3.898 20 10 GHCDHN Cc1ccccc1OC1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)CC1 ZINC001236931340 1041963573 /nfs/dbraw/zinc/96/35/73/1041963573.db2.gz JIAMEVHXMIDUPR-UHFFFAOYSA-N 0 3 397.538 3.929 20 10 GHCDHN Cc1ccc(OC2CCN(Cc3ccc(N4CCN(C)CC4)cc3F)CC2)cc1 ZINC001236938855 1041965466 /nfs/dbraw/zinc/96/54/66/1041965466.db2.gz MLKGXSSBHOMPMU-UHFFFAOYSA-N 0 3 397.538 3.929 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C3)CC2)c([O-])c1 ZINC001237044595 1042004132 /nfs/dbraw/zinc/00/41/32/1042004132.db2.gz ZDPZNTNVFHYLLQ-UHFFFAOYSA-N 0 3 384.476 3.512 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c([O-])c1 ZINC001237047563 1042006720 /nfs/dbraw/zinc/00/67/20/1042006720.db2.gz BIHNRQAALJEAAB-NHCUHLMSSA-N 0 3 379.504 3.676 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c([O-])c1 ZINC001237047563 1042006730 /nfs/dbraw/zinc/00/67/30/1042006730.db2.gz BIHNRQAALJEAAB-NHCUHLMSSA-N 0 3 379.504 3.676 20 10 GHCDHN CCOc1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001237049066 1042008045 /nfs/dbraw/zinc/00/80/45/1042008045.db2.gz CUQURAIVUQDAAV-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN CCOc1ccc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c(O)c1 ZINC001237049066 1042008050 /nfs/dbraw/zinc/00/80/50/1042008050.db2.gz CUQURAIVUQDAAV-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN COCCOc1ccccc1N1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237051142 1042010661 /nfs/dbraw/zinc/01/06/61/1042010661.db2.gz HWWQEBXMLKDMHJ-UHFFFAOYSA-N 0 3 384.520 3.863 20 10 GHCDHN O=C1CC2(CN1CC1CC1)CCN(Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237125609 1042052973 /nfs/dbraw/zinc/05/29/73/1042052973.db2.gz OGFHUQGKUJYSMO-UHFFFAOYSA-N 0 3 398.425 3.515 20 10 GHCDHN Oc1cccc(OC(F)(F)F)c1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001237125595 1042053467 /nfs/dbraw/zinc/05/34/67/1042053467.db2.gz NYIMJPHHRDRUEX-GJZGRUSLSA-N 0 3 376.394 3.689 20 10 GHCDHN O=c1ccc2c(n1CC1CC1)CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237135988 1042058495 /nfs/dbraw/zinc/05/84/95/1042058495.db2.gz AWMXZXNTULOFIT-UHFFFAOYSA-N 0 3 392.421 3.584 20 10 GHCDHN O=c1ccc2c(n1CC1CC1)CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237135988 1042058498 /nfs/dbraw/zinc/05/84/98/1042058498.db2.gz AWMXZXNTULOFIT-UHFFFAOYSA-N 0 3 392.421 3.584 20 10 GHCDHN O=S1(=O)CCN(c2ccc(CN3CCC[C@H](c4ccccc4)CC3)cc2)CC1 ZINC001237211071 1042092829 /nfs/dbraw/zinc/09/28/29/1042092829.db2.gz ZIOVOXUXSWYJHJ-QFIPXVFZSA-N 0 3 398.572 3.691 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237289123 1042126669 /nfs/dbraw/zinc/12/66/69/1042126669.db2.gz MDIYYMGVPNASOI-UHFFFAOYSA-N 0 3 387.321 3.792 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)Oc2ccccc21 ZINC001237490693 1042233046 /nfs/dbraw/zinc/23/30/46/1042233046.db2.gz ZOGVZFBWAFNFHP-SFHVURJKSA-N 0 3 394.515 3.738 20 10 GHCDHN CCc1noc([C@H]2CCC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)n1 ZINC001237682926 1042323567 /nfs/dbraw/zinc/32/35/67/1042323567.db2.gz UWOGBMXPIFLHHZ-LBPRGKRZSA-N 0 3 380.286 3.788 20 10 GHCDHN CCc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)n1 ZINC001237682926 1042323570 /nfs/dbraw/zinc/32/35/70/1042323570.db2.gz UWOGBMXPIFLHHZ-LBPRGKRZSA-N 0 3 380.286 3.788 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)c1[O-] ZINC001237682504 1042323710 /nfs/dbraw/zinc/32/37/10/1042323710.db2.gz AVEYEBDZAJXQJM-UHFFFAOYSA-N 0 3 399.922 3.877 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1Br ZINC001237683590 1042323860 /nfs/dbraw/zinc/32/38/60/1042323860.db2.gz NUPYSCMZBRHQFR-LJQANCHMSA-N 0 3 387.277 3.559 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1Br ZINC001237683590 1042323865 /nfs/dbraw/zinc/32/38/65/1042323865.db2.gz NUPYSCMZBRHQFR-LJQANCHMSA-N 0 3 387.277 3.559 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684520 1042324907 /nfs/dbraw/zinc/32/49/07/1042324907.db2.gz VEMQGYBDFYJOBX-KXBFYZLASA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684520 1042324913 /nfs/dbraw/zinc/32/49/13/1042324913.db2.gz VEMQGYBDFYJOBX-KXBFYZLASA-N 0 3 398.341 3.871 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1[O-] ZINC001238060320 1042478992 /nfs/dbraw/zinc/47/89/92/1042478992.db2.gz GXIMYSNHEGMNEI-IBGZPJMESA-N 0 3 377.500 3.885 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238708064 1042694272 /nfs/dbraw/zinc/69/42/72/1042694272.db2.gz SSEGQGHRUCSUQC-UHFFFAOYSA-N 0 3 383.511 3.895 20 10 GHCDHN CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665728 1047905754 /nfs/dbraw/zinc/90/57/54/1047905754.db2.gz VAIKGYAFAGSUQX-LJQANCHMSA-N 0 3 386.367 3.549 20 10 GHCDHN CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665728 1047905759 /nfs/dbraw/zinc/90/57/59/1047905759.db2.gz VAIKGYAFAGSUQX-LJQANCHMSA-N 0 3 386.367 3.549 20 10 GHCDHN CC(C)COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001463281456 1070960601 /nfs/dbraw/zinc/96/06/01/1070960601.db2.gz LOHNGTSLEVPSKV-QHCPKHFHSA-N 0 3 397.563 3.749 20 10 GHCDHN CC1([C@H]2CCCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)OCCO1 ZINC000753596136 1049752443 /nfs/dbraw/zinc/75/24/43/1049752443.db2.gz RTXIVFHGALWWBS-SFHVURJKSA-N 0 3 389.496 3.560 20 10 GHCDHN CC(C)(C)OC(=O)N1CC(NCc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001308297771 1049942148 /nfs/dbraw/zinc/94/21/48/1049942148.db2.gz KTZITVNCUQMYBW-UHFFFAOYSA-N 0 3 393.531 3.958 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC001308946731 1050207589 /nfs/dbraw/zinc/20/75/89/1050207589.db2.gz VNBDHXBYVMHDQX-KRWDZBQOSA-N 0 3 392.393 3.953 20 10 GHCDHN C[C@@H](CCc1ccccc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311367341 1052063365 /nfs/dbraw/zinc/06/33/65/1052063365.db2.gz LGIAQYZPBVEAAU-PGRDOPGGSA-N 0 3 382.552 3.676 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000848523706 1057148116 /nfs/dbraw/zinc/14/81/16/1057148116.db2.gz CQMXMYDPZOHBKI-NSHDSACASA-N 0 3 395.253 3.965 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3cc(Cl)sc3[nH]2)N(C)C)cc1 ZINC001456930178 1062921739 /nfs/dbraw/zinc/92/17/39/1062921739.db2.gz HIKLIJKCXXYMBU-INIZCTEOSA-N 0 3 390.940 3.982 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)c(N)c(Cl)c2)N(C)C)cc1 ZINC001456931279 1062922043 /nfs/dbraw/zinc/92/20/43/1062922043.db2.gz KIAQYTUEZQOOAL-KRWDZBQOSA-N 0 3 395.334 3.674 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)N(C)C)cc1 ZINC001466230205 1066045778 /nfs/dbraw/zinc/04/57/78/1066045778.db2.gz SFSRTXYHXQRCGX-JKSUJKDBSA-N 0 3 388.478 3.632 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)C[C@H](C)O4)c2)CC1 ZINC001466650086 1066233458 /nfs/dbraw/zinc/23/34/58/1066233458.db2.gz IONDPFWBOBDLFW-KRWDZBQOSA-N 0 3 379.504 3.793 20 10 GHCDHN Cc1c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)oc2ccccc12 ZINC001468802916 1067890425 /nfs/dbraw/zinc/89/04/25/1067890425.db2.gz AXGZNCOWGUUVJT-HXUWFJFHSA-N 0 3 394.519 3.909 20 10 GHCDHN C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC001460636387 1069045929 /nfs/dbraw/zinc/04/59/29/1069045929.db2.gz HHPMJADEGMWMFF-IRXDYDNUSA-N 0 3 390.524 3.849 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccc(Cl)s2)N(C)C)cc1 ZINC001479535890 1079224834 /nfs/dbraw/zinc/22/48/34/1079224834.db2.gz XRYKHXMSKPLZKR-KRWDZBQOSA-N 0 3 394.972 3.912 20 10 GHCDHN CCC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)N1CCc2sccc2C1 ZINC001473975794 1074223305 /nfs/dbraw/zinc/22/33/05/1074223305.db2.gz OBPKYPHDHFMVSQ-GOSISDBHSA-N 0 3 389.540 3.796 20 10 GHCDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001474314905 1074337489 /nfs/dbraw/zinc/33/74/89/1074337489.db2.gz STBQQIXULSNQFJ-ZDUSSCGKSA-N 0 3 376.394 3.544 20 10 GHCDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001474314905 1074337496 /nfs/dbraw/zinc/33/74/96/1074337496.db2.gz STBQQIXULSNQFJ-ZDUSSCGKSA-N 0 3 376.394 3.544 20 10 GHCDHN Cc1nc2ccc(NC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2o1 ZINC001475864132 1075036752 /nfs/dbraw/zinc/03/67/52/1075036752.db2.gz FFLSIHLKSWHILR-IBGZPJMESA-N 0 3 381.480 3.627 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000153960616 834877202 /nfs/dbraw/zinc/87/72/02/834877202.db2.gz ZLHQKHMYUGKCBS-JKSUJKDBSA-N 0 3 376.522 3.835 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382444750 838729911 /nfs/dbraw/zinc/72/99/11/838729911.db2.gz IQQJXXLOPUOALS-SWLSCSKDSA-N 0 3 384.904 3.837 20 10 GHCDHN C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182638964 839124118 /nfs/dbraw/zinc/12/41/18/839124118.db2.gz PYBJJNPGZAUGPV-GOSISDBHSA-N 0 3 398.526 3.587 20 10 GHCDHN CC1CCN([C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)c2cccs2)CC1 ZINC000588403883 840939008 /nfs/dbraw/zinc/93/90/08/840939008.db2.gz ZXQRNUOTSIZODH-XTKXOIQPSA-N 0 3 386.517 3.762 20 10 GHCDHN C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000124804243 841016953 /nfs/dbraw/zinc/01/69/53/841016953.db2.gz KHQJAKGZGXVBTI-VBKZILBWSA-N 0 3 378.875 3.700 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000271771820 846914562 /nfs/dbraw/zinc/91/45/62/846914562.db2.gz BTLIFKDLCZWAGA-OAHLLOKOSA-N 0 3 386.355 3.998 20 10 GHCDHN Cc1cc(CC(=O)N(C)[C@H]2CN3CCC2CC3)c(C)n1-c1ccc(Cl)cc1 ZINC000732160330 862095731 /nfs/dbraw/zinc/09/57/31/862095731.db2.gz OQCPDYMBFQVZQP-NRFANRHFSA-N 0 3 385.939 3.843 20 10 GHCDHN COc1ccc(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c(O)c1OC ZINC000894412892 851224955 /nfs/dbraw/zinc/22/49/55/851224955.db2.gz JFSHUVNUNWVIKM-OAHLLOKOSA-N 0 3 386.275 3.930 20 10 GHCDHN COc1ccc(CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)c1OC ZINC000894765221 852157720 /nfs/dbraw/zinc/15/77/20/852157720.db2.gz XYRPLWXFNIXAAK-SFHVURJKSA-N 0 3 386.275 3.714 20 10 GHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1cc(F)ccc1[O-] ZINC000760034877 855235722 /nfs/dbraw/zinc/23/57/22/855235722.db2.gz NTPKOKOTHGGMIV-CHWSQXEVSA-N 0 3 382.273 3.796 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765895624 855925187 /nfs/dbraw/zinc/92/51/87/855925187.db2.gz XBGKENCGUWHLSE-RXVVDRJESA-N 0 3 381.520 3.834 20 10 GHCDHN COc1cccc(COC[C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613868 863064680 /nfs/dbraw/zinc/06/46/80/863064680.db2.gz OHKLYDBFCIIUAK-OAQYLSRUSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1cccc(COC[C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613868 863064692 /nfs/dbraw/zinc/06/46/92/863064692.db2.gz OHKLYDBFCIIUAK-OAQYLSRUSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1ccc(C(=O)NCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000727468921 859232089 /nfs/dbraw/zinc/23/20/89/859232089.db2.gz OUNDOVRHGZOTOT-UHFFFAOYSA-N 0 3 376.456 3.587 20 10 GHCDHN COc1cc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cc(OC)c1OC ZINC000761218508 859415576 /nfs/dbraw/zinc/41/55/76/859415576.db2.gz FKTZVUHRCYAAPF-UHFFFAOYSA-N 0 3 381.476 3.516 20 10 GHCDHN C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000764768337 859595321 /nfs/dbraw/zinc/59/53/21/859595321.db2.gz LDFJBJDUUIRAJL-QGZVFWFLSA-N 0 3 387.549 3.899 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000765255532 859873212 /nfs/dbraw/zinc/87/32/12/859873212.db2.gz RATBWJXJGMFPTI-HIFRSBDPSA-N 0 3 391.437 3.656 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CSCCc4ccccc43)cc2)C1 ZINC000765255084 859873375 /nfs/dbraw/zinc/87/33/75/859873375.db2.gz PDUMDXRLWIRHGD-KNQAVFIVSA-N 0 3 395.572 3.509 20 10 GHCDHN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765426702 859965649 /nfs/dbraw/zinc/96/56/49/859965649.db2.gz SSYZCHZNWXTREX-STQMWFEESA-N 0 3 380.838 3.795 20 10 GHCDHN CN(C)C(=O)[C@H](Cc1ccccc1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792960807 881849559 /nfs/dbraw/zinc/84/95/59/881849559.db2.gz QJRAFKYDXRKEGX-IBGZPJMESA-N 0 3 393.453 3.561 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000740909210 866081869 /nfs/dbraw/zinc/08/18/69/866081869.db2.gz KAJQYLCJAQSHFF-KNQAVFIVSA-N 0 3 390.531 3.698 20 10 GHCDHN Cc1nn(C)c(Cl)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622147 866582939 /nfs/dbraw/zinc/58/29/39/866582939.db2.gz LNZPLKNTBXQKRP-CYBMUJFWSA-N 0 3 384.858 3.742 20 10 GHCDHN COc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1C ZINC000742378658 867272047 /nfs/dbraw/zinc/27/20/47/867272047.db2.gz IXQXMUZRYQZISI-SFHVURJKSA-N 0 3 390.430 3.890 20 10 GHCDHN CC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@]2(CCOC2)O1 ZINC000793361719 882126478 /nfs/dbraw/zinc/12/64/78/882126478.db2.gz PDXFGQQFZCZFJI-NZQKXSOJSA-N 0 3 383.488 3.741 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000743330321 868095119 /nfs/dbraw/zinc/09/51/19/868095119.db2.gz PRVUHYMWMLMYGA-JOCHJYFZSA-N 0 3 382.552 3.895 20 10 GHCDHN COc1ccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)c([O-])c1 ZINC000793389433 882165180 /nfs/dbraw/zinc/16/51/80/882165180.db2.gz YHOMHOAGRWHCQX-UHFFFAOYSA-N 0 3 376.250 3.729 20 10 GHCDHN COc1ccc(N2CCC(N[C@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)cc1 ZINC000775567695 870865259 /nfs/dbraw/zinc/86/52/59/870865259.db2.gz KASJWQPRDIMJIW-QHCPKHFHSA-N 0 3 394.494 3.916 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC1CCC1)c1ccccc1)cc2=O ZINC000181352261 870903266 /nfs/dbraw/zinc/90/32/66/870903266.db2.gz KZMORLDCSYNOEZ-IBGZPJMESA-N 0 3 394.475 3.633 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000182414618 872335175 /nfs/dbraw/zinc/33/51/75/872335175.db2.gz DOZRYQJOPNECIC-OLZOCXBDSA-N 0 3 378.419 3.549 20 10 GHCDHN CCN(CC)C(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775664230 872504167 /nfs/dbraw/zinc/50/41/67/872504167.db2.gz IWBNPNQDFYUCKO-UHFFFAOYSA-N 0 3 383.330 3.544 20 10 GHCDHN CCN(CC)C(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000775664230 872504176 /nfs/dbraw/zinc/50/41/76/872504176.db2.gz IWBNPNQDFYUCKO-UHFFFAOYSA-N 0 3 383.330 3.544 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)[C@@H](O)CO2 ZINC000767508682 872581212 /nfs/dbraw/zinc/58/12/12/872581212.db2.gz VLAOKGLYBKJDPG-UGSOOPFHSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)[C@@H](O)CO2 ZINC000767508682 872581226 /nfs/dbraw/zinc/58/12/26/872581226.db2.gz VLAOKGLYBKJDPG-UGSOOPFHSA-N 0 3 379.378 3.826 20 10 GHCDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768199734 873136293 /nfs/dbraw/zinc/13/62/93/873136293.db2.gz YDIPGMYJHIKCLV-INIZCTEOSA-N 0 3 396.512 3.900 20 10 GHCDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768199734 873136295 /nfs/dbraw/zinc/13/62/95/873136295.db2.gz YDIPGMYJHIKCLV-INIZCTEOSA-N 0 3 396.512 3.900 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2F)N(C)C)cc1 ZINC001196788968 873361021 /nfs/dbraw/zinc/36/10/21/873361021.db2.gz XHYBPFUEHBELQZ-KRWDZBQOSA-N 0 3 378.879 3.970 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1O ZINC000775996684 875087519 /nfs/dbraw/zinc/08/75/19/875087519.db2.gz LUCAWJYCWIAIKT-UHFFFAOYSA-N 0 3 379.859 3.763 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(I)cc2)cc1F ZINC001199864398 875209628 /nfs/dbraw/zinc/20/96/28/875209628.db2.gz JJVDEGNVFOSEGE-UHFFFAOYSA-N 0 3 384.236 3.786 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cc(C(F)(F)F)c1 ZINC000858195156 882929089 /nfs/dbraw/zinc/92/90/89/882929089.db2.gz QGXFFXHVSHRGDO-UHFFFAOYSA-N 0 3 394.437 3.965 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1Cc1ccccc1 ZINC000151865017 876035214 /nfs/dbraw/zinc/03/52/14/876035214.db2.gz YOKGGGMOBMIMBJ-KNQAVFIVSA-N 0 3 390.531 3.525 20 10 GHCDHN COc1cc(Br)cc(CN[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000776255502 876063016 /nfs/dbraw/zinc/06/30/16/876063016.db2.gz FRSKBGQXIQBIID-AWEZNQCLSA-N 0 3 386.673 3.640 20 10 GHCDHN COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(C)c1OC ZINC000804529706 882995032 /nfs/dbraw/zinc/99/50/32/882995032.db2.gz HYGGDPCERLLVOW-UHFFFAOYSA-N 0 3 397.519 3.795 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1[O-] ZINC000785984117 876393187 /nfs/dbraw/zinc/39/31/87/876393187.db2.gz FCOZNAHQQOIKCN-QGZVFWFLSA-N 0 3 395.341 3.876 20 10 GHCDHN COc1cc(CNCc2cc3ccccc3n(C)c2=O)c(O)c(C(C)(C)C)c1 ZINC000850307934 876797870 /nfs/dbraw/zinc/79/78/70/876797870.db2.gz SKYAHWSTGNRBNR-UHFFFAOYSA-N 0 3 380.488 3.840 20 10 GHCDHN CCOc1c(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)nn1CC(C)C ZINC000850345969 876837579 /nfs/dbraw/zinc/83/75/79/876837579.db2.gz PAULKNREAFHPQI-GOSISDBHSA-N 0 3 386.540 3.623 20 10 GHCDHN CCCOc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccc1OC ZINC000850404617 876884062 /nfs/dbraw/zinc/88/40/62/876884062.db2.gz BNGKDXJSSIZUNE-UHFFFAOYSA-N 0 3 384.520 3.735 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cc(Br)cs3)cc2)CC1 ZINC000850406149 876886942 /nfs/dbraw/zinc/88/69/42/876886942.db2.gz ULWNABWGTPYVPW-UHFFFAOYSA-N 0 3 381.339 3.762 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C(F)F)nc1 ZINC000850426676 876908982 /nfs/dbraw/zinc/90/89/82/876908982.db2.gz YCGSLULMFDIOFB-WMLDXEAASA-N 0 3 388.462 3.572 20 10 GHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(Br)cn3)C2)cc1 ZINC000850486218 876959767 /nfs/dbraw/zinc/95/97/67/876959767.db2.gz AXTHVJDUHGGBKC-ZFWWWQNUSA-N 0 3 376.298 3.782 20 10 GHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1OC ZINC000285505188 912317085 /nfs/dbraw/zinc/31/70/85/912317085.db2.gz CXFPJJPCBDHYHP-INIZCTEOSA-N 0 3 388.483 3.839 20 10 GHCDHN CCN(C)c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000790965279 880107083 /nfs/dbraw/zinc/10/70/83/880107083.db2.gz BMXNDLIFEPPXAI-IBGZPJMESA-N 0 3 388.943 3.651 20 10 GHCDHN COc1cc(Br)cc(CNCc2cccc([N+](=O)[O-])c2C)c1O ZINC000790995706 880123318 /nfs/dbraw/zinc/12/33/18/880123318.db2.gz BSMHBQDMVLAXLD-UHFFFAOYSA-N 0 3 381.226 3.670 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000792186777 880973857 /nfs/dbraw/zinc/97/38/57/880973857.db2.gz QMEKPDCZMLTTNQ-QHCPKHFHSA-N 0 3 377.532 3.910 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc4nccnc4cc3F)c2)CC1 ZINC000792291169 881016452 /nfs/dbraw/zinc/01/64/52/881016452.db2.gz YXSPWMIRKJIFMY-UHFFFAOYSA-N 0 3 393.466 3.552 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000795714804 912659808 /nfs/dbraw/zinc/65/98/08/912659808.db2.gz CBNLRJWARAERTN-IBGZPJMESA-N 0 3 397.393 3.611 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000795714804 912659819 /nfs/dbraw/zinc/65/98/19/912659819.db2.gz CBNLRJWARAERTN-IBGZPJMESA-N 0 3 397.393 3.611 20 10 GHCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000858520358 883169476 /nfs/dbraw/zinc/16/94/76/883169476.db2.gz RKRJUWMQKSKSSK-NHYWBVRUSA-N 0 3 378.831 3.649 20 10 GHCDHN O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000187448068 883792104 /nfs/dbraw/zinc/79/21/04/883792104.db2.gz PGOLHCGORNHDEX-UHFFFAOYSA-N 0 3 396.384 3.945 20 10 GHCDHN C[C@H](NC[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000130324499 884208819 /nfs/dbraw/zinc/20/88/19/884208819.db2.gz UUTBBVLQVINQAQ-XOBRGWDASA-N 0 3 378.875 3.700 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806465591 884734139 /nfs/dbraw/zinc/73/41/39/884734139.db2.gz XFNMOQLJAKADLX-NRFANRHFSA-N 0 3 386.515 3.774 20 10 GHCDHN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](c1ccccc1)N(C)C ZINC000806634462 884888081 /nfs/dbraw/zinc/88/80/81/884888081.db2.gz HVOBVMMXCXCDQU-VGOFRKELSA-N 0 3 380.536 3.560 20 10 GHCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1 ZINC000806846606 885021766 /nfs/dbraw/zinc/02/17/66/885021766.db2.gz UZEBMFCTIFRMJW-AUSIDOKSSA-N 0 3 390.531 3.525 20 10 GHCDHN COC(=O)c1ccc(Cl)c(CNC2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000795919849 912999660 /nfs/dbraw/zinc/99/96/60/912999660.db2.gz XPLRQJNGYBOSNK-UHFFFAOYSA-N 0 3 388.895 3.894 20 10 GHCDHN CCOc1cccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000763441800 886105057 /nfs/dbraw/zinc/10/50/57/886105057.db2.gz RFTAAVKALRVSEQ-MRXNPFEDSA-N 0 3 377.435 3.840 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)NCCN(C)Cc2ccccc2)C2CC2)cc1 ZINC000919790568 886372049 /nfs/dbraw/zinc/37/20/49/886372049.db2.gz SSAPEYCIOIKBME-UHFFFAOYSA-N 0 3 380.536 3.559 20 10 GHCDHN COc1cc(O)c(CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000862535911 886439062 /nfs/dbraw/zinc/43/90/62/886439062.db2.gz BQGKXKWGOPXTSK-HNNXBMFYSA-N 0 3 386.275 3.930 20 10 GHCDHN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808690824 886645937 /nfs/dbraw/zinc/64/59/37/886645937.db2.gz MFONIFJMFKDIIL-STQMWFEESA-N 0 3 382.913 3.674 20 10 GHCDHN CN1CCC2(CCN(Cc3ccc4c(c3)CCN4Cc3ccccc3)CC2)C1=O ZINC000809655597 887661159 /nfs/dbraw/zinc/66/11/59/887661159.db2.gz MVIKRRFVDZMWGP-UHFFFAOYSA-N 0 3 389.543 3.694 20 10 GHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794595608 887662927 /nfs/dbraw/zinc/66/29/27/887662927.db2.gz SPVYHFKQDPLXQL-IBGZPJMESA-N 0 3 395.528 3.975 20 10 GHCDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1O ZINC000809686536 887704810 /nfs/dbraw/zinc/70/48/10/887704810.db2.gz CVEJRSJTEVFLAK-OAQYLSRUSA-N 0 3 396.531 3.894 20 10 GHCDHN COc1ccccc1O[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809711588 887730015 /nfs/dbraw/zinc/73/00/15/887730015.db2.gz ZOWBNDCUGMIMGZ-NRFANRHFSA-N 0 3 382.504 3.575 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])s1 ZINC000809721207 887745169 /nfs/dbraw/zinc/74/51/69/887745169.db2.gz NWZRYOAUUPDZGT-MNOVXSKESA-N 0 3 382.917 3.521 20 10 GHCDHN COc1cc(Br)cc(CN(C)Cc2ccc3c(c2)OCO3)c1O ZINC000120049591 887770794 /nfs/dbraw/zinc/77/07/94/887770794.db2.gz NANFVUBXOJWSDC-UHFFFAOYSA-N 0 3 380.238 3.524 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])[C@@H]2C1 ZINC000809787486 887839617 /nfs/dbraw/zinc/83/96/17/887839617.db2.gz FSQQQQQRUYHJFR-MDNUFGMLSA-N 0 3 394.515 3.708 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000809974715 888031286 /nfs/dbraw/zinc/03/12/86/888031286.db2.gz JHGRKALNWHVOHA-QFIPXVFZSA-N 0 3 375.532 3.848 20 10 GHCDHN CC[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(C)cc1[O-] ZINC000794803973 888106256 /nfs/dbraw/zinc/10/62/56/888106256.db2.gz TXZOANCBZLKFNN-QFIPXVFZSA-N 0 3 384.520 3.653 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccccc3O)c(C)c2)CC1 ZINC000866161686 888758536 /nfs/dbraw/zinc/75/85/36/888758536.db2.gz UAUHIOZOSJOETE-KRWDZBQOSA-N 0 3 382.508 3.725 20 10 GHCDHN Cc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000122276029 889565431 /nfs/dbraw/zinc/56/54/31/889565431.db2.gz UWPXKNZYCQNJRQ-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C[C@H]1C(F)(F)F ZINC001168515519 889610258 /nfs/dbraw/zinc/61/02/58/889610258.db2.gz SMWRCQCWKMQVRZ-WFASDCNBSA-N 0 3 390.402 3.518 20 10 GHCDHN COc1ccc(N2CCC(N[C@H](c3cnn(C)c3)c3cccc(F)c3)CC2)cc1 ZINC000154144367 890113736 /nfs/dbraw/zinc/11/37/36/890113736.db2.gz JYMICOJCKYLSOD-QHCPKHFHSA-N 0 3 394.494 3.916 20 10 GHCDHN COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747867200 891881988 /nfs/dbraw/zinc/88/19/88/891881988.db2.gz PTTQSQOCQYVQFS-IAGOWNOFSA-N 0 3 397.519 3.902 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)NC[C@H](c2ccccc2)N(C)C)C2CC2)cc1 ZINC000918056033 893068105 /nfs/dbraw/zinc/06/81/05/893068105.db2.gz XYYSOLCTLFPTDJ-JOCHJYFZSA-N 0 3 380.536 3.730 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc([C@H]3CCCOC3)cc2)N(C)C)cc1 ZINC001134686834 893201875 /nfs/dbraw/zinc/20/18/75/893201875.db2.gz XWDWOIRZWHENCB-JTHBVZDNSA-N 0 3 395.547 3.679 20 10 GHCDHN CC[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001134681835 893217802 /nfs/dbraw/zinc/21/78/02/893217802.db2.gz JWSORRVHZYIHGY-FCHUYYIVSA-N 0 3 383.536 3.674 20 10 GHCDHN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825887584 893233471 /nfs/dbraw/zinc/23/34/71/893233471.db2.gz VIVGFIPSOLGHDH-UKRRQHHQSA-N 0 3 375.431 3.691 20 10 GHCDHN O=[N+]([O-])c1cccc(CN(Cc2ccc(N3CCC(O)CC3)cc2)C2CC2)c1 ZINC000876582011 893237536 /nfs/dbraw/zinc/23/75/36/893237536.db2.gz TUUIJUFKAFGNQZ-UHFFFAOYSA-N 0 3 381.476 3.721 20 10 GHCDHN O=[N+]([O-])c1ccc(CN(Cc2ccc(N3CCC(O)CC3)cc2)C2CC2)cc1 ZINC000876581435 893237660 /nfs/dbraw/zinc/23/76/60/893237660.db2.gz JRTCNJMSWDMYSS-UHFFFAOYSA-N 0 3 381.476 3.721 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000815147061 893519237 /nfs/dbraw/zinc/51/92/37/893519237.db2.gz NSJNXCJZUNGDHY-MRXNPFEDSA-N 0 3 398.457 3.838 20 10 GHCDHN CN(C)C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000877504006 893651308 /nfs/dbraw/zinc/65/13/08/893651308.db2.gz DRRJBXVTQGRVIY-JOCHJYFZSA-N 0 3 387.955 3.694 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877755936 893793807 /nfs/dbraw/zinc/79/38/07/893793807.db2.gz TVUYRLLQBVTYGW-QXCFHYIPSA-N 0 3 390.524 3.847 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCNCc2cccnc2)c1[O-] ZINC000817940376 895968733 /nfs/dbraw/zinc/96/87/33/895968733.db2.gz MEBZQDRAZKGGMJ-CQSZACIVSA-N 0 3 378.314 3.689 20 10 GHCDHN CCN(CC)C(=O)[C@@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000818115954 896032940 /nfs/dbraw/zinc/03/29/40/896032940.db2.gz DSUMKQRXBYPPQB-XXBNENTESA-N 0 3 395.547 3.721 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3nc4c(s3)CCCC4)CC1)[C@@H](O)CO2 ZINC000819895290 897037086 /nfs/dbraw/zinc/03/70/86/897037086.db2.gz LHNFUKOMGHFEIL-SFHVURJKSA-N 0 3 386.517 3.533 20 10 GHCDHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000822494879 898429477 /nfs/dbraw/zinc/42/94/77/898429477.db2.gz WXHBPTRRSCNTSG-AWEZNQCLSA-N 0 3 376.884 3.679 20 10 GHCDHN Cc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cs1 ZINC000823691339 899188398 /nfs/dbraw/zinc/18/83/98/899188398.db2.gz JJERODJRHIGMNE-UHFFFAOYSA-N 0 3 397.523 3.602 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000825046612 899950959 /nfs/dbraw/zinc/95/09/59/899950959.db2.gz VVUMSHOYTHTURX-SFHVURJKSA-N 0 3 375.438 3.633 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3cnc(C4CCCC4)s3)cc2)CC1 ZINC000886324828 900932632 /nfs/dbraw/zinc/93/26/32/900932632.db2.gz IMKFOCRJTUKYTP-UHFFFAOYSA-N 0 3 398.576 3.792 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@H]3CCSc4ccccc43)cc2)CC1 ZINC000886747629 901252404 /nfs/dbraw/zinc/25/24/04/901252404.db2.gz ZZXXANOHPUQFDS-FQEVSTJZSA-N 0 3 381.545 3.715 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1[O-] ZINC000779013484 902803258 /nfs/dbraw/zinc/80/32/58/902803258.db2.gz RGPXHOBXVQLPLF-WFASDCNBSA-N 0 3 398.272 3.693 20 10 GHCDHN Cc1ccc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c([O-])c1O ZINC000887612457 903137944 /nfs/dbraw/zinc/13/79/44/903137944.db2.gz QVCLQRUDUFRWEN-UHFFFAOYSA-N 0 3 380.488 3.634 20 10 GHCDHN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000801599278 921176974 /nfs/dbraw/zinc/17/69/74/921176974.db2.gz ITWZCNFNKVDKPK-INIZCTEOSA-N 0 3 384.476 3.793 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000801599278 921176982 /nfs/dbraw/zinc/17/69/82/921176982.db2.gz ITWZCNFNKVDKPK-INIZCTEOSA-N 0 3 384.476 3.793 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000801599278 921176990 /nfs/dbraw/zinc/17/69/90/921176990.db2.gz ITWZCNFNKVDKPK-INIZCTEOSA-N 0 3 384.476 3.793 20 10 GHCDHN COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185255173 907740497 /nfs/dbraw/zinc/74/04/97/907740497.db2.gz LPEXTPZBLAFCGC-QGZVFWFLSA-N 0 3 382.504 3.594 20 10 GHCDHN COc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1F ZINC001177333466 908530028 /nfs/dbraw/zinc/53/00/28/908530028.db2.gz CATPSMZLPQBKBQ-GJZGRUSLSA-N 0 3 376.447 3.877 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc(OCC4CC4)cc3)cc2F)CC1 ZINC000190857213 908535722 /nfs/dbraw/zinc/53/57/22/908535722.db2.gz ODYOBXBUPLUVPR-UHFFFAOYSA-N 0 3 384.495 3.865 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(NC(=O)c3ccncc3)cc2)cc1F ZINC001177612197 908667365 /nfs/dbraw/zinc/66/73/65/908667365.db2.gz QSEUNNSHYHFOPB-UHFFFAOYSA-N 0 3 378.451 3.829 20 10 GHCDHN O=c1[nH]c2cccc(C[NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)c2o1 ZINC001177811400 908766295 /nfs/dbraw/zinc/76/62/95/908766295.db2.gz WTQNQXUCVCYZHZ-INIZCTEOSA-N 0 3 387.867 3.647 20 10 GHCDHN CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000271323657 910862196 /nfs/dbraw/zinc/86/21/96/910862196.db2.gz ZEHGFDHQZHRMFW-QGZVFWFLSA-N 0 3 388.581 3.624 20 10 GHCDHN COc1cc(O)c(CN(C)Cc2ccc(OCC(F)(F)F)cc2)cc1OC ZINC000795644917 911659410 /nfs/dbraw/zinc/65/94/10/911659410.db2.gz LWWUYMHDZMNFBD-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000801964786 921696651 /nfs/dbraw/zinc/69/66/51/921696651.db2.gz UPTGTQNWVODVPE-OAQYLSRUSA-N 0 3 383.536 3.877 20 10 GHCDHN COC1(c2noc(CC3CC[NH+](Cc4ccc(C)cc4[O-])CC3)n2)CCCC1 ZINC001182990394 912177863 /nfs/dbraw/zinc/17/78/63/912177863.db2.gz PSTLUNYSSFJMGV-UHFFFAOYSA-N 0 3 385.508 3.954 20 10 GHCDHN C[C@H](NCC(=O)NCCCC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775259710 916697939 /nfs/dbraw/zinc/69/79/39/916697939.db2.gz XPDPUKOGWCLQAH-IBGZPJMESA-N 0 3 387.568 3.651 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000775369428 917207642 /nfs/dbraw/zinc/20/76/42/917207642.db2.gz BSTIHAAZMCHHST-CVEARBPZSA-N 0 3 382.504 3.808 20 10 GHCDHN COC1CCN(c2ccc(CN3CCC(Oc4ncccc4F)CC3)cc2)CC1 ZINC000295892025 917582763 /nfs/dbraw/zinc/58/27/63/917582763.db2.gz DPIHIRDYKPLBQL-UHFFFAOYSA-N 0 3 399.510 3.879 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800539380 920255680 /nfs/dbraw/zinc/25/56/80/920255680.db2.gz XLUAHLULSIDHCW-PKOBYXMFSA-N 0 3 398.503 3.894 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800539380 920255682 /nfs/dbraw/zinc/25/56/82/920255682.db2.gz XLUAHLULSIDHCW-PKOBYXMFSA-N 0 3 398.503 3.894 20 10 GHCDHN COCCO[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000800850316 920527516 /nfs/dbraw/zinc/52/75/16/920527516.db2.gz LRHRQHSUDAGXNM-INIZCTEOSA-N 0 3 394.309 3.935 20 10 GHCDHN COCCO[C@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000800850316 920527525 /nfs/dbraw/zinc/52/75/25/920527525.db2.gz LRHRQHSUDAGXNM-INIZCTEOSA-N 0 3 394.309 3.935 20 10 GHCDHN COc1ccc(N2CCN(Cc3ccc(C)cc3-c3cnn(C)c3)CC2)cc1F ZINC000802641319 922281981 /nfs/dbraw/zinc/28/19/81/922281981.db2.gz FERSNCWJGPZMBC-UHFFFAOYSA-N 0 3 394.494 3.865 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3nonc3c2)c1[O-] ZINC000903329169 922933514 /nfs/dbraw/zinc/93/35/14/922933514.db2.gz PZOBVEMCJDVHAZ-VIFPVBQESA-N 0 3 378.226 3.550 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903346179 922945930 /nfs/dbraw/zinc/94/59/30/922945930.db2.gz DAEXIKKUYBJKQB-OAQYLSRUSA-N 0 3 381.516 3.977 20 10 GHCDHN Cc1cccc2nc(C3CC[NH+](Cc4cc5c(cc4[O-])OC[C@H]5O)CC3)oc21 ZINC000780503905 930535263 /nfs/dbraw/zinc/53/52/63/930535263.db2.gz OQWLWDVTKSQXNP-LJQANCHMSA-N 0 3 380.444 3.647 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1coc2ccccc21 ZINC000924725456 931516544 /nfs/dbraw/zinc/51/65/44/931516544.db2.gz GMTYUAXCTZDREG-WMZOPIPTSA-N 0 3 377.488 3.985 20 10 GHCDHN COC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000797096971 932181270 /nfs/dbraw/zinc/18/12/70/932181270.db2.gz NDDBLTUNWJYJBJ-GFCCVEGCSA-N 0 3 385.302 3.592 20 10 GHCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C(C)(C)O)cc1 ZINC000926559665 932228088 /nfs/dbraw/zinc/22/80/88/932228088.db2.gz OJDLJLVOFIJOKX-OAHLLOKOSA-N 0 3 390.474 3.880 20 10 GHCDHN Cc1cccc(NC2CCN(Cc3ccc(N4CCN(C)CC4)c(F)c3)CC2)c1 ZINC001116444885 933562155 /nfs/dbraw/zinc/56/21/55/933562155.db2.gz CVXNEBWHQGYWTN-UHFFFAOYSA-N 0 3 396.554 3.962 20 10 GHCDHN CCN1CCN(CCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)CC1 ZINC001137816379 935805699 /nfs/dbraw/zinc/80/56/99/935805699.db2.gz HZSVAGAPHKZMEY-HXUWFJFHSA-N 0 3 395.547 3.510 20 10 GHCDHN [O-]c1cccc(F)c1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001137835333 935814748 /nfs/dbraw/zinc/81/47/48/935814748.db2.gz DINKIVUAABBXGX-HXUWFJFHSA-N 0 3 391.437 3.660 20 10 GHCDHN [O-]c1cccc(F)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001137835333 935814751 /nfs/dbraw/zinc/81/47/51/935814751.db2.gz DINKIVUAABBXGX-HXUWFJFHSA-N 0 3 391.437 3.660 20 10 GHCDHN CC[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001221623441 1032486361 /nfs/dbraw/zinc/48/63/61/1032486361.db2.gz MYDMHPAJGXKPPJ-GCJKJVERSA-N 0 3 382.552 3.848 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001221893395 1032565617 /nfs/dbraw/zinc/56/56/17/1032565617.db2.gz AQFCAGSXJXRLDX-NQIIRXRSSA-N 0 3 380.536 3.523 20 10 GHCDHN Cc1cc(CCNC(=O)NC[C@H]2CCCCN2C2CC2)c(C)n1-c1ccccc1 ZINC001227883099 1032666722 /nfs/dbraw/zinc/66/67/22/1032666722.db2.gz PZVKYFNTEZXRDI-HSZRJFAPSA-N 0 3 394.563 3.953 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276749 1032717652 /nfs/dbraw/zinc/71/76/52/1032717652.db2.gz QBHPGCOTOPKVRH-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276749 1032717666 /nfs/dbraw/zinc/71/76/66/1032717666.db2.gz QBHPGCOTOPKVRH-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN O=C1N[C@H](c2ccccc2)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204327237 1032770244 /nfs/dbraw/zinc/77/02/44/1032770244.db2.gz MQAJRCJTNJPWRV-JOCHJYFZSA-N 0 3 375.516 3.740 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001204329170 1032771656 /nfs/dbraw/zinc/77/16/56/1032771656.db2.gz ZRJIEDZFJAQYOE-UHFFFAOYSA-N 0 3 395.547 3.634 20 10 GHCDHN O=C(NCCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(Br)c1 ZINC000834554973 1021269620 /nfs/dbraw/zinc/26/96/20/1021269620.db2.gz IOXNUWJOGXSIRZ-MRXNPFEDSA-N 0 3 389.293 3.552 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000834783849 1021471649 /nfs/dbraw/zinc/47/16/49/1021471649.db2.gz OGLZRBZPJYRDLW-RHSMWYFYSA-N 0 3 376.294 3.583 20 10 GHCDHN C[C@H]1CN([C@H](C[NH2+]Cc2ccccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000725846254 1022388233 /nfs/dbraw/zinc/38/82/33/1022388233.db2.gz ZVPCIQKCVGVCLI-KBXCAEBGSA-N 0 3 378.875 3.736 20 10 GHCDHN Cc1c(O)ccc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c1O ZINC001140745266 1022416462 /nfs/dbraw/zinc/41/64/62/1022416462.db2.gz CEGFQGPVPQCFCN-UHFFFAOYSA-N 0 3 383.879 3.930 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c(Cl)c1 ZINC001140922456 1022889938 /nfs/dbraw/zinc/88/99/38/1022889938.db2.gz RGUMELSXNPDZDH-RTBURBONSA-N 0 3 383.923 3.610 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c(Cl)c1 ZINC001140924300 1022901363 /nfs/dbraw/zinc/90/13/63/1022901363.db2.gz NHWLDSWAIDFJGY-HXUWFJFHSA-N 0 3 397.950 3.902 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3COc3ccccn3)CC2)c([O-])c1 ZINC001140949582 1022970417 /nfs/dbraw/zinc/97/04/17/1022970417.db2.gz DYRUHNUVOUGJKT-HXUWFJFHSA-N 0 3 382.504 3.793 20 10 GHCDHN CCN(C(=O)OC(C)(C)C)C1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028586 1023277409 /nfs/dbraw/zinc/27/74/09/1023277409.db2.gz VWNVFLNHEKZGGJ-UHFFFAOYSA-N 0 3 394.512 3.631 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030723 1023295832 /nfs/dbraw/zinc/29/58/32/1023295832.db2.gz IPNPPJPJRZHBPC-DLBZAZTESA-N 0 3 394.512 3.677 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030723 1023295839 /nfs/dbraw/zinc/29/58/39/1023295839.db2.gz IPNPPJPJRZHBPC-DLBZAZTESA-N 0 3 394.512 3.677 20 10 GHCDHN COc1cc(O)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC001141032177 1023299191 /nfs/dbraw/zinc/29/91/91/1023299191.db2.gz UYGYZLHJVHNXIA-UHFFFAOYSA-N 0 3 377.868 3.546 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC001141032177 1023299203 /nfs/dbraw/zinc/29/92/03/1023299203.db2.gz UYGYZLHJVHNXIA-UHFFFAOYSA-N 0 3 377.868 3.546 20 10 GHCDHN CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000756028683 1023484498 /nfs/dbraw/zinc/48/44/98/1023484498.db2.gz SJHAFEKANQGFHH-KRWDZBQOSA-N 0 3 390.959 3.658 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756355954 1023603029 /nfs/dbraw/zinc/60/30/29/1023603029.db2.gz XWBOGMWDOJCPHI-FVQBIDKESA-N 0 3 376.497 3.804 20 10 GHCDHN C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000756432354 1023646766 /nfs/dbraw/zinc/64/67/66/1023646766.db2.gz QRMLQAPVFCPRDK-IBGZPJMESA-N 0 3 385.527 3.780 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756459626 1023662994 /nfs/dbraw/zinc/66/29/94/1023662994.db2.gz NMUFUHTYWIGXMK-FMEYXAORSA-N 0 3 384.451 3.987 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756594539 1023727817 /nfs/dbraw/zinc/72/78/17/1023727817.db2.gz PDHMJWMPFAJOCW-DJABAAGCSA-N 0 3 384.495 3.552 20 10 GHCDHN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000756770557 1023807839 /nfs/dbraw/zinc/80/78/39/1023807839.db2.gz YLIYIYCYXFNBLA-AXXDXXKNSA-N 0 3 380.822 3.946 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000756851961 1023835437 /nfs/dbraw/zinc/83/54/37/1023835437.db2.gz WIYZMXNHIBLTEQ-HNNXBMFYSA-N 0 3 386.517 3.901 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(Cc3ccncc3)CC2)c(OC)c1 ZINC001138386416 1024758642 /nfs/dbraw/zinc/75/86/42/1024758642.db2.gz MLGXZCODWPUOCR-UHFFFAOYSA-N 0 3 382.552 3.644 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(c3ncccc3C)CC2)c(OC)c1 ZINC001138389923 1024765435 /nfs/dbraw/zinc/76/54/35/1024765435.db2.gz UXCOQWQABPDCHZ-UHFFFAOYSA-N 0 3 382.552 3.957 20 10 GHCDHN Clc1cccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC001138499389 1024931957 /nfs/dbraw/zinc/93/19/57/1024931957.db2.gz HGKRLNUQAXQFMI-UHFFFAOYSA-N 0 3 387.911 3.615 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc(OC)c(OC)c3C)CC2)cc1 ZINC001164334726 1026489095 /nfs/dbraw/zinc/48/90/95/1026489095.db2.gz ZGOGJZLZIPRLEV-UHFFFAOYSA-N 0 3 399.535 3.645 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cccc4c3CCCO4)CC2)cc1 ZINC001164336290 1026490345 /nfs/dbraw/zinc/49/03/45/1026490345.db2.gz WRRIFRADCFYMRA-UHFFFAOYSA-N 0 3 381.520 3.644 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140055679 1026834842 /nfs/dbraw/zinc/83/48/42/1026834842.db2.gz PGQRAANGQRLHCS-FCHUYYIVSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140055679 1026834848 /nfs/dbraw/zinc/83/48/48/1026834848.db2.gz PGQRAANGQRLHCS-FCHUYYIVSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(Br)c3)C1)[C@H](O)CO2 ZINC000840123303 1027245759 /nfs/dbraw/zinc/24/57/59/1027245759.db2.gz HOHHHLLGDVHWPU-SCLBCKFNSA-N 0 3 390.277 3.570 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(Br)c3)C1)[C@H](O)CO2 ZINC000840123303 1027245777 /nfs/dbraw/zinc/24/57/77/1027245777.db2.gz HOHHHLLGDVHWPU-SCLBCKFNSA-N 0 3 390.277 3.570 20 10 GHCDHN Cc1nc(COC[C@@H]2CCC[C@@]23CN(Cc2ccccc2O)CCO3)cs1 ZINC001203552214 1027429698 /nfs/dbraw/zinc/42/96/98/1027429698.db2.gz FFNFWYMXEBDFJK-GHTZIAJQSA-N 0 3 388.533 3.745 20 10 GHCDHN Cc1nc(COC[C@@H]2CCC[C@@]23C[N@H+](Cc2ccccc2[O-])CCO3)cs1 ZINC001203552214 1027429702 /nfs/dbraw/zinc/42/97/02/1027429702.db2.gz FFNFWYMXEBDFJK-GHTZIAJQSA-N 0 3 388.533 3.745 20 10 GHCDHN Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+](Cc2ccccc2[O-])CCO3)cs1 ZINC001203552214 1027429714 /nfs/dbraw/zinc/42/97/14/1027429714.db2.gz FFNFWYMXEBDFJK-GHTZIAJQSA-N 0 3 388.533 3.745 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203620429 1027482171 /nfs/dbraw/zinc/48/21/71/1027482171.db2.gz FFQOBCOUYALBJK-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203620429 1027482175 /nfs/dbraw/zinc/48/21/75/1027482175.db2.gz FFQOBCOUYALBJK-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCCN3C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001203622376 1027484672 /nfs/dbraw/zinc/48/46/72/1027484672.db2.gz ZZQDYDIJACMYIH-UHFFFAOYSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)c([O-])c1 ZINC001203623143 1027485886 /nfs/dbraw/zinc/48/58/86/1027485886.db2.gz JWLUOWYZGVEIKD-UHFFFAOYSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC001203635340 1027493706 /nfs/dbraw/zinc/49/37/06/1027493706.db2.gz QAHCOCHQWNWWKN-UHFFFAOYSA-N 0 3 388.895 3.583 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001203645540 1027502207 /nfs/dbraw/zinc/50/22/07/1027502207.db2.gz MDNPELQFFADTPZ-APWZRJJASA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001203645540 1027502217 /nfs/dbraw/zinc/50/22/17/1027502217.db2.gz MDNPELQFFADTPZ-APWZRJJASA-N 0 3 387.321 3.861 20 10 GHCDHN COc1ccc(O)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001203684148 1027529900 /nfs/dbraw/zinc/52/99/00/1027529900.db2.gz NPBWOSDITLNRJV-UHFFFAOYSA-N 0 3 382.382 3.622 20 10 GHCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000840761008 1027803949 /nfs/dbraw/zinc/80/39/49/1027803949.db2.gz NFZQNPBHYOGRTM-INIZCTEOSA-N 0 3 398.457 3.838 20 10 GHCDHN CCc1ccccc1[C@@H](N)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000841087558 1028110762 /nfs/dbraw/zinc/11/07/62/1028110762.db2.gz RJENIPXGALERGS-INIZCTEOSA-N 0 3 379.298 3.515 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000841998259 1029027488 /nfs/dbraw/zinc/02/74/88/1029027488.db2.gz QPYQTJLQJAHIET-QHCPKHFHSA-N 0 3 392.547 3.705 20 10 GHCDHN CN(C)c1cc(F)c(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC001461507893 1069582605 /nfs/dbraw/zinc/58/26/05/1069582605.db2.gz RTELJRJRZHSPDK-KRWDZBQOSA-N 0 3 390.352 3.753 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(O)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001215984521 1029479576 /nfs/dbraw/zinc/47/95/76/1029479576.db2.gz UIGIEHZZPINMQX-UHFFFAOYSA-N 0 3 387.443 3.557 20 10 GHCDHN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001218609342 1031003618 /nfs/dbraw/zinc/00/36/18/1031003618.db2.gz MYQGJPMHRJOWTC-GFCCVEGCSA-N 0 3 376.478 3.566 20 10 GHCDHN [O-]c1c(CNc2ccc(OCC3CC[NH2+]CC3)cn2)cc(Cl)c2cccnc12 ZINC001157727332 1033742702 /nfs/dbraw/zinc/74/27/02/1033742702.db2.gz JZAPZEPUSYPKEE-UHFFFAOYSA-N 0 3 398.894 3.979 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001207101690 1034093445 /nfs/dbraw/zinc/09/34/45/1034093445.db2.gz IJFKVGLXXSMDGH-INIZCTEOSA-N 0 3 378.513 3.979 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001207101690 1034093455 /nfs/dbraw/zinc/09/34/55/1034093455.db2.gz IJFKVGLXXSMDGH-INIZCTEOSA-N 0 3 378.513 3.979 20 10 GHCDHN C[C@@H]1C[C@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001230506455 1034094937 /nfs/dbraw/zinc/09/49/37/1034094937.db2.gz UMANXVDJZPOVOO-AEFFLSMTSA-N 0 3 385.483 3.631 20 10 GHCDHN C[C@@H]1C[C@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@H+]1Cc1ccccc1 ZINC001230506455 1034094953 /nfs/dbraw/zinc/09/49/53/1034094953.db2.gz UMANXVDJZPOVOO-AEFFLSMTSA-N 0 3 385.483 3.631 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cccnc4C)C3)C2)cc1 ZINC001207148461 1034128530 /nfs/dbraw/zinc/12/85/30/1034128530.db2.gz CTOXJLLTDZWSKK-QHCPKHFHSA-N 0 3 381.520 3.518 20 10 GHCDHN COc1c([O-])c(CN(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001207252155 1034213453 /nfs/dbraw/zinc/21/34/53/1034213453.db2.gz BEUFURFGJPXSLZ-LJQANCHMSA-N 0 3 399.491 3.796 20 10 GHCDHN COc1c([O-])c(CN(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001207252155 1034213464 /nfs/dbraw/zinc/21/34/64/1034213464.db2.gz BEUFURFGJPXSLZ-LJQANCHMSA-N 0 3 399.491 3.796 20 10 GHCDHN O=C1CCC[C@]2(CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)N1 ZINC001231467502 1034612605 /nfs/dbraw/zinc/61/26/05/1034612605.db2.gz LRTPKHFCAOUAQC-HSZRJFAPSA-N 0 3 380.488 3.606 20 10 GHCDHN O=C1CCC[C@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)N1 ZINC001231467502 1034612610 /nfs/dbraw/zinc/61/26/10/1034612610.db2.gz LRTPKHFCAOUAQC-HSZRJFAPSA-N 0 3 380.488 3.606 20 10 GHCDHN CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C(C)C)C1 ZINC001231468932 1034614355 /nfs/dbraw/zinc/61/43/55/1034614355.db2.gz JMOBUKTUXSDUPQ-OAQYLSRUSA-N 0 3 382.504 3.802 20 10 GHCDHN CC(=O)N1CC[C@@H]([N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C(C)C)C1 ZINC001231468932 1034614362 /nfs/dbraw/zinc/61/43/62/1034614362.db2.gz JMOBUKTUXSDUPQ-OAQYLSRUSA-N 0 3 382.504 3.802 20 10 GHCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c1[O-] ZINC001231554403 1034707317 /nfs/dbraw/zinc/70/73/17/1034707317.db2.gz RALWGWGYRLFAHC-AWEZNQCLSA-N 0 3 377.282 3.765 20 10 GHCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1[O-] ZINC001231554403 1034707327 /nfs/dbraw/zinc/70/73/27/1034707327.db2.gz RALWGWGYRLFAHC-AWEZNQCLSA-N 0 3 377.282 3.765 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3c([O-])ccc4ccccc43)C[C@H]2C1 ZINC001231588091 1034741159 /nfs/dbraw/zinc/74/11/59/1034741159.db2.gz SHDCFRLGCJXAOJ-ROUUACIJSA-N 0 3 378.497 3.811 20 10 GHCDHN O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231588046 1034741605 /nfs/dbraw/zinc/74/16/05/1034741605.db2.gz HUBQEHJFNJQPHK-HXUWFJFHSA-N 0 3 387.483 3.579 20 10 GHCDHN O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231589629 1034744933 /nfs/dbraw/zinc/74/49/33/1034744933.db2.gz NLYONXDJQGWVKV-UHFFFAOYSA-N 0 3 392.421 3.922 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001231851518 1034942527 /nfs/dbraw/zinc/94/25/27/1034942527.db2.gz DLLNOVLSWHCUKQ-LJQANCHMSA-N 0 3 399.579 3.670 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001231854014 1034944800 /nfs/dbraw/zinc/94/48/00/1034944800.db2.gz VPFOJTHMVAEWSR-GGPHIMKMSA-N 0 3 389.540 3.781 20 10 GHCDHN Cc1nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])ccc1[N+](=O)[O-] ZINC001160616113 1035016855 /nfs/dbraw/zinc/01/68/55/1035016855.db2.gz DBUGLNUCJGAVRV-WOJBJXKFSA-N 0 3 380.404 3.563 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ncc2c(n1)CCCC2)c1ccccc1O ZINC001160622184 1035018351 /nfs/dbraw/zinc/01/83/51/1035018351.db2.gz AJSCKPGPRFKJES-NHCUHLMSSA-N 0 3 376.460 3.620 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cc(C)nc(C)c4)C3)C2)cc1 ZINC001231999512 1035033796 /nfs/dbraw/zinc/03/37/96/1035033796.db2.gz VODNRFGOWMNSEO-DEOSSOPVSA-N 0 3 395.547 3.826 20 10 GHCDHN N[C@H](CC(=O)N1CCCc2cc(O)c(O)cc2C1)c1ccc(Cl)cc1Cl ZINC001160924808 1035094778 /nfs/dbraw/zinc/09/47/78/1035094778.db2.gz PXCJBNOFTFEGDB-MRXNPFEDSA-N 0 3 395.286 3.770 20 10 GHCDHN CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199500 1035157075 /nfs/dbraw/zinc/15/70/75/1035157075.db2.gz IXDFJHRNAHXNEC-KRWDZBQOSA-N 0 3 394.943 3.873 20 10 GHCDHN Cc1cc(Br)cc(CN2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1O ZINC001233110801 1038902136 /nfs/dbraw/zinc/90/21/36/1038902136.db2.gz RTZKJACHUVZWRV-LJQANCHMSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1[O-] ZINC001233110801 1038902141 /nfs/dbraw/zinc/90/21/41/1038902141.db2.gz RTZKJACHUVZWRV-LJQANCHMSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1[O-] ZINC001233110801 1038902142 /nfs/dbraw/zinc/90/21/42/1038902142.db2.gz RTZKJACHUVZWRV-LJQANCHMSA-N 0 3 395.341 3.686 20 10 GHCDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233199263 1038964322 /nfs/dbraw/zinc/96/43/22/1038964322.db2.gz YNZIARBVSXSJJS-UVBSCNOISA-N 0 3 390.277 3.834 20 10 GHCDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233199263 1038964331 /nfs/dbraw/zinc/96/43/31/1038964331.db2.gz YNZIARBVSXSJJS-UVBSCNOISA-N 0 3 390.277 3.834 20 10 GHCDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233199263 1038964335 /nfs/dbraw/zinc/96/43/35/1038964335.db2.gz YNZIARBVSXSJJS-UVBSCNOISA-N 0 3 390.277 3.834 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289045 1039070359 /nfs/dbraw/zinc/07/03/59/1039070359.db2.gz HXYUJKCXHQVZTE-BBRMVZONSA-N 0 3 393.940 3.607 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1[O-] ZINC001233289045 1039070378 /nfs/dbraw/zinc/07/03/78/1039070378.db2.gz HXYUJKCXHQVZTE-BBRMVZONSA-N 0 3 393.940 3.607 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C(=O)Oc4ccccc43)C2(C)C)c1[O-] ZINC001233290575 1039074341 /nfs/dbraw/zinc/07/43/41/1039074341.db2.gz KUWDKTCPUFIJOJ-OAQYLSRUSA-N 0 3 387.863 3.896 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C(=O)Oc4ccccc43)C2(C)C)c1[O-] ZINC001233290575 1039074358 /nfs/dbraw/zinc/07/43/58/1039074358.db2.gz KUWDKTCPUFIJOJ-OAQYLSRUSA-N 0 3 387.863 3.896 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334833 1039134702 /nfs/dbraw/zinc/13/47/02/1039134702.db2.gz VQVSWIGFIGTOTO-WRWLIDTKSA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334833 1039134710 /nfs/dbraw/zinc/13/47/10/1039134710.db2.gz VQVSWIGFIGTOTO-WRWLIDTKSA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334833 1039134726 /nfs/dbraw/zinc/13/47/26/1039134726.db2.gz VQVSWIGFIGTOTO-WRWLIDTKSA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233334833 1039134741 /nfs/dbraw/zinc/13/47/41/1039134741.db2.gz VQVSWIGFIGTOTO-WRWLIDTKSA-N 0 3 387.474 3.798 20 10 GHCDHN Cc1cc(Br)c([O-])c(CN(CC[NH3+])c2ccc3ccccc3n2)c1 ZINC001462355333 1070195919 /nfs/dbraw/zinc/19/59/19/1070195919.db2.gz ODTSVEBTACUZPN-UHFFFAOYSA-N 0 3 386.293 3.977 20 10 GHCDHN Oc1cc(O)c(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1O ZINC001233485422 1039381032 /nfs/dbraw/zinc/38/10/32/1039381032.db2.gz VENCEDPDPSVPJP-UHFFFAOYSA-N 0 3 399.365 3.745 20 10 GHCDHN O=C([C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1)N1CCCCC1 ZINC001233755228 1039591568 /nfs/dbraw/zinc/59/15/68/1039591568.db2.gz SJZUNWZLIZMMDK-HNNXBMFYSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C([C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1)N1CCCCC1 ZINC001233755228 1039591572 /nfs/dbraw/zinc/59/15/72/1039591572.db2.gz SJZUNWZLIZMMDK-HNNXBMFYSA-N 0 3 386.414 3.515 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC001462418753 1070240484 /nfs/dbraw/zinc/24/04/84/1070240484.db2.gz ALJWKEMIWFPZKS-OAHLLOKOSA-N 0 3 395.381 3.991 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4[C@@H](CNC(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234518876 1040096272 /nfs/dbraw/zinc/09/62/72/1040096272.db2.gz PPENVPWDARRDEI-LDLYASANSA-N 0 3 398.503 3.757 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4[C@@H](CNC(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234518876 1040096290 /nfs/dbraw/zinc/09/62/90/1040096290.db2.gz PPENVPWDARRDEI-LDLYASANSA-N 0 3 398.503 3.757 20 10 GHCDHN COc1ccc(O[C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)nc1 ZINC001234569558 1040137323 /nfs/dbraw/zinc/13/73/23/1040137323.db2.gz PHJBZEDDERCRBA-GOSISDBHSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc(O[C@@H]2CC[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)C2)nc1 ZINC001234569558 1040137331 /nfs/dbraw/zinc/13/73/31/1040137331.db2.gz PHJBZEDDERCRBA-GOSISDBHSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(NC(=O)N4CCCCC4)CC3)c2c1 ZINC001234569925 1040139197 /nfs/dbraw/zinc/13/91/97/1040139197.db2.gz UPTRQQVLJIPBPT-UHFFFAOYSA-N 0 3 397.519 3.714 20 10 GHCDHN CCN1CCN(c2ccc(OC3CCN(c4ccc(C)cn4)CC3)cc2)CC1 ZINC001234661637 1040196063 /nfs/dbraw/zinc/19/60/63/1040196063.db2.gz WBMSUKWMUPTOPB-UHFFFAOYSA-N 0 3 380.536 3.580 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990434 1040486272 /nfs/dbraw/zinc/48/62/72/1040486272.db2.gz GXILNWHOKGKMKT-RTBURBONSA-N 0 3 398.503 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990434 1040486280 /nfs/dbraw/zinc/48/62/80/1040486280.db2.gz GXILNWHOKGKMKT-RTBURBONSA-N 0 3 398.503 3.519 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235250424 1040731497 /nfs/dbraw/zinc/73/14/97/1040731497.db2.gz DMQPBRBABQTSRW-YLJYHZDGSA-N 0 3 387.321 3.876 20 10 GHCDHN CCOc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(C)CC3)c(F)c1)CCO2 ZINC001255164886 1040883177 /nfs/dbraw/zinc/88/31/77/1040883177.db2.gz MXVQMMPXYYOQQO-NRFANRHFSA-N 0 3 399.510 3.590 20 10 GHCDHN CCN1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC001235832252 1041352843 /nfs/dbraw/zinc/35/28/43/1041352843.db2.gz COANGXHHDOMWCX-KRWDZBQOSA-N 0 3 392.975 3.814 20 10 GHCDHN Cc1cc(CN(Cc2cccnc2)[C@H]2CCC[NH2+]C2)c([O-])cc1Br ZINC001236478778 1041732968 /nfs/dbraw/zinc/73/29/68/1041732968.db2.gz LKKJZPOZWIMUPU-KRWDZBQOSA-N 0 3 390.325 3.612 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001236669044 1041815834 /nfs/dbraw/zinc/81/58/34/1041815834.db2.gz LFPPIFLBMLXFRQ-IBGZPJMESA-N 0 3 387.321 3.878 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001236669044 1041815844 /nfs/dbraw/zinc/81/58/44/1041815844.db2.gz LFPPIFLBMLXFRQ-IBGZPJMESA-N 0 3 387.321 3.878 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c([O-])c1 ZINC001236787420 1041893513 /nfs/dbraw/zinc/89/35/13/1041893513.db2.gz UZKBAVHYVDJQIL-QHCPKHFHSA-N 0 3 380.488 3.592 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)c([O-])c1 ZINC001236787420 1041893519 /nfs/dbraw/zinc/89/35/19/1041893519.db2.gz UZKBAVHYVDJQIL-QHCPKHFHSA-N 0 3 380.488 3.592 20 10 GHCDHN CCc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001236788632 1041894720 /nfs/dbraw/zinc/89/47/20/1041894720.db2.gz VPKUQRWIZPETNC-WPYKKVEZSA-N 0 3 384.520 3.659 20 10 GHCDHN CCc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001236788632 1041894723 /nfs/dbraw/zinc/89/47/23/1041894723.db2.gz VPKUQRWIZPETNC-WPYKKVEZSA-N 0 3 384.520 3.659 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821690 1041916787 /nfs/dbraw/zinc/91/67/87/1041916787.db2.gz SKJLDXJGFNCVLE-QZTJIDSGSA-N 0 3 378.513 3.977 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821690 1041916789 /nfs/dbraw/zinc/91/67/89/1041916789.db2.gz SKJLDXJGFNCVLE-QZTJIDSGSA-N 0 3 378.513 3.977 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]21 ZINC001236826714 1041918607 /nfs/dbraw/zinc/91/86/07/1041918607.db2.gz LXXVDVGFYFWMCE-FPOVZHCZSA-N 0 3 398.503 3.756 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]21 ZINC001236826714 1041918612 /nfs/dbraw/zinc/91/86/12/1041918612.db2.gz LXXVDVGFYFWMCE-FPOVZHCZSA-N 0 3 398.503 3.756 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001236827907 1041919192 /nfs/dbraw/zinc/91/91/92/1041919192.db2.gz AZVMVKKYJSQTHI-PMVMPFDFSA-N 0 3 376.456 3.751 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001236827907 1041919195 /nfs/dbraw/zinc/91/91/95/1041919195.db2.gz AZVMVKKYJSQTHI-PMVMPFDFSA-N 0 3 376.456 3.751 20 10 GHCDHN CN1CC[C@@]2(C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001236828711 1041919928 /nfs/dbraw/zinc/91/99/28/1041919928.db2.gz CHDXIWHVCQBJHT-RDGATRHJSA-N 0 3 386.495 3.993 20 10 GHCDHN CN1CC[C@@]2(C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001236828711 1041919931 /nfs/dbraw/zinc/91/99/31/1041919931.db2.gz CHDXIWHVCQBJHT-RDGATRHJSA-N 0 3 386.495 3.993 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001236833378 1041922261 /nfs/dbraw/zinc/92/22/61/1041922261.db2.gz WCOMMKGVECHQCK-FRGLQRNOSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001236833378 1041922264 /nfs/dbraw/zinc/92/22/64/1041922264.db2.gz WCOMMKGVECHQCK-FRGLQRNOSA-N 0 3 390.483 3.999 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001236833378 1041922265 /nfs/dbraw/zinc/92/22/65/1041922265.db2.gz WCOMMKGVECHQCK-FRGLQRNOSA-N 0 3 390.483 3.999 20 10 GHCDHN CC1CC[NH+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001236843131 1041925577 /nfs/dbraw/zinc/92/55/77/1041925577.db2.gz LAPKUFBWTLFXHC-UHFFFAOYSA-N 0 3 376.497 3.754 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CC4CCC3CC4)cc2C1 ZINC001236846266 1041926435 /nfs/dbraw/zinc/92/64/35/1041926435.db2.gz RLUMQRMIAUMAMQ-UHFFFAOYSA-N 0 3 388.508 3.896 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CC4CCC3CC4)cc2C1 ZINC001236846266 1041926437 /nfs/dbraw/zinc/92/64/37/1041926437.db2.gz RLUMQRMIAUMAMQ-UHFFFAOYSA-N 0 3 388.508 3.896 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CCC4(CC4)CC3)cc2C1 ZINC001236847362 1041927173 /nfs/dbraw/zinc/92/71/73/1041927173.db2.gz MHLQZUDCNWYEFZ-UHFFFAOYSA-N 0 3 388.508 3.898 20 10 GHCDHN [O-]c1cccc(OC(F)(F)F)c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237126125 1042054266 /nfs/dbraw/zinc/05/42/66/1042054266.db2.gz UUEUXZCSAJDUPZ-HUUCEWRRSA-N 0 3 378.394 3.859 20 10 GHCDHN Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC001237221321 1042094923 /nfs/dbraw/zinc/09/49/23/1042094923.db2.gz UDRIUPDIGVTHII-QHCPKHFHSA-N 0 3 398.572 3.875 20 10 GHCDHN COC(=O)c1c(CN2CCC3(Cc4ccccc4N3)CC2)c2ccccc2n1C ZINC001237345889 1042158934 /nfs/dbraw/zinc/15/89/34/1042158934.db2.gz NLSJRVCIKVAZHU-UHFFFAOYSA-N 0 3 389.499 3.968 20 10 GHCDHN Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(C)cccc3[O-])O2)cs1 ZINC001237489516 1042232211 /nfs/dbraw/zinc/23/22/11/1042232211.db2.gz YSXVQNIOQGVFFV-FBBABVLZSA-N 0 3 388.533 3.804 20 10 GHCDHN Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(C)cccc3[O-])O2)cs1 ZINC001237489516 1042232213 /nfs/dbraw/zinc/23/22/13/1042232213.db2.gz YSXVQNIOQGVFFV-FBBABVLZSA-N 0 3 388.533 3.804 20 10 GHCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])C2 ZINC001237640841 1042299643 /nfs/dbraw/zinc/29/96/43/1042299643.db2.gz GKLVFRYTOUUVDE-FYYLOGMGSA-N 0 3 399.462 3.742 20 10 GHCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])C2 ZINC001237640841 1042299649 /nfs/dbraw/zinc/29/96/49/1042299649.db2.gz GKLVFRYTOUUVDE-FYYLOGMGSA-N 0 3 399.462 3.742 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1[O-] ZINC001237680849 1042321680 /nfs/dbraw/zinc/32/16/80/1042321680.db2.gz VCGHEDVLGNITSA-LJQANCHMSA-N 0 3 388.895 3.952 20 10 GHCDHN Cc1cccnc1O[C@@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237685780 1042326056 /nfs/dbraw/zinc/32/60/56/1042326056.db2.gz RAXOGAFBYAAMLV-OAHLLOKOSA-N 0 3 377.282 3.820 20 10 GHCDHN Cc1cc(Cl)cc(CN2CC[C@@H](Oc3ncc(Br)cn3)C2)c1O ZINC001237686768 1042328085 /nfs/dbraw/zinc/32/80/85/1042328085.db2.gz NLTREGVCZCYGIY-CQSZACIVSA-N 0 3 398.688 3.560 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)c1[O-] ZINC001237686768 1042328089 /nfs/dbraw/zinc/32/80/89/1042328089.db2.gz NLTREGVCZCYGIY-CQSZACIVSA-N 0 3 398.688 3.560 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)c1[O-] ZINC001237686768 1042328093 /nfs/dbraw/zinc/32/80/93/1042328093.db2.gz NLTREGVCZCYGIY-CQSZACIVSA-N 0 3 398.688 3.560 20 10 GHCDHN COc1cccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)c1 ZINC001237690313 1042328910 /nfs/dbraw/zinc/32/89/10/1042328910.db2.gz VYPKFJMYFIRMBX-UHFFFAOYSA-N 0 3 388.895 3.757 20 10 GHCDHN COc1cccc(C(=O)NC2CCN(Cc3cc(Cl)cc(C)c3O)CC2)c1 ZINC001237690313 1042328917 /nfs/dbraw/zinc/32/89/17/1042328917.db2.gz VYPKFJMYFIRMBX-UHFFFAOYSA-N 0 3 388.895 3.757 20 10 GHCDHN Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cc(F)cc(C)c4[O-])C3)C2=O)c1 ZINC001238063337 1042479964 /nfs/dbraw/zinc/47/99/64/1042479964.db2.gz ZRQVKBVXPMIBMD-QHCPKHFHSA-N 0 3 382.479 3.773 20 10 GHCDHN Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cc(F)cc(C)c4[O-])C3)C2=O)c1 ZINC001238063337 1042479965 /nfs/dbraw/zinc/47/99/65/1042479965.db2.gz ZRQVKBVXPMIBMD-QHCPKHFHSA-N 0 3 382.479 3.773 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1C ZINC001292741917 1043855504 /nfs/dbraw/zinc/85/55/04/1043855504.db2.gz JFYKJHLWKKOOJV-UHFFFAOYSA-N 0 3 381.520 3.771 20 10 GHCDHN CSc1cccc(F)c1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001257438060 1043998689 /nfs/dbraw/zinc/99/86/89/1043998689.db2.gz QCRVZTQYAKGGQX-UHFFFAOYSA-N 0 3 377.504 3.728 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001257798465 1044181540 /nfs/dbraw/zinc/18/15/40/1044181540.db2.gz MQCYPMXFPUCWKP-HRAATJIYSA-N 0 3 376.497 3.757 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3c2cccc3Cl)N(C)C)cc1 ZINC001463282764 1070961499 /nfs/dbraw/zinc/96/14/99/1070961499.db2.gz PKUAOIKHNGVFCE-PZJWPPBQSA-N 0 3 385.939 3.855 20 10 GHCDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2ncccc12 ZINC001289602252 1049557567 /nfs/dbraw/zinc/55/75/67/1049557567.db2.gz LZGRBOVNGFGTCT-NRFANRHFSA-N 0 3 376.504 3.642 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H](c3nccs3)c3ccccc3)cc2)CC1 ZINC001308235560 1049921540 /nfs/dbraw/zinc/92/15/40/1049921540.db2.gz CWLZCRBRMXFQHY-NRFANRHFSA-N 0 3 378.545 3.774 20 10 GHCDHN C[C@H](c1ccccc1F)N1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC001308413949 1049970323 /nfs/dbraw/zinc/97/03/23/1049970323.db2.gz ICZZBGVSXYAMEK-IIBYNOLFSA-N 0 3 382.479 3.993 20 10 GHCDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001310436258 1051356402 /nfs/dbraw/zinc/35/64/02/1051356402.db2.gz UGVBDVLMMHQBLB-LJQANCHMSA-N 0 3 399.495 3.702 20 10 GHCDHN CCS[C@@H]1CCC[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001312186911 1052625313 /nfs/dbraw/zinc/62/53/13/1052625313.db2.gz VIQFNTGDBJMTAP-SXLOBPIMSA-N 0 3 392.613 3.719 20 10 GHCDHN CN(Cc1ccccc1O)c1nnc([C@H]2CCCN(C)C2)n1Cc1cccs1 ZINC001344808005 1054754112 /nfs/dbraw/zinc/75/41/12/1054754112.db2.gz NSLUFCPIXXUVNM-KRWDZBQOSA-N 0 3 397.548 3.539 20 10 GHCDHN COC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001321386507 1056242508 /nfs/dbraw/zinc/24/25/08/1056242508.db2.gz QMUFALQWVSFKRN-RTBURBONSA-N 0 3 380.448 3.972 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1[O-] ZINC000848518127 1057144835 /nfs/dbraw/zinc/14/48/35/1057144835.db2.gz GVFVTLLLPAPBND-LLVKDONJSA-N 0 3 393.281 3.973 20 10 GHCDHN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])cc1 ZINC000848517851 1057144900 /nfs/dbraw/zinc/14/49/00/1057144900.db2.gz GXBXAMVCJOAYQI-MEDUHNTESA-N 0 3 396.281 3.556 20 10 GHCDHN CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])c1C ZINC000848524745 1057148867 /nfs/dbraw/zinc/14/88/67/1057148867.db2.gz LYIDUWGGVYQRMT-JTQLQIEISA-N 0 3 382.302 3.847 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1[O-] ZINC000848524779 1057148938 /nfs/dbraw/zinc/14/89/38/1057148938.db2.gz WVPSSFWRJJEEJN-LRDDRELGSA-N 0 3 380.282 3.856 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cc2F)CC1 ZINC000848528393 1057150819 /nfs/dbraw/zinc/15/08/19/1057150819.db2.gz LKTHCKHOIPCDBK-FQEVSTJZSA-N 0 3 398.482 3.653 20 10 GHCDHN Cc1nn(-c2ccccc2Cl)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000848528921 1057151562 /nfs/dbraw/zinc/15/15/62/1057151562.db2.gz JZMGOCTTXZQJQA-UHFFFAOYSA-N 0 3 396.922 3.961 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)c2ccccc2C)c1[O-] ZINC000848530535 1057153224 /nfs/dbraw/zinc/15/32/24/1057153224.db2.gz ALCCRWRYOPUTPS-LRDDRELGSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000848531610 1057153338 /nfs/dbraw/zinc/15/33/38/1057153338.db2.gz UFOBEDHYMIMFFB-BONVTDFDSA-N 0 3 392.297 3.990 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCNc2cccc(C)n2)c1[O-] ZINC000848534892 1057156792 /nfs/dbraw/zinc/15/67/92/1057156792.db2.gz VZMRYBAWJPUZJQ-LBPRGKRZSA-N 0 3 380.286 3.629 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1[O-] ZINC000848547635 1057169950 /nfs/dbraw/zinc/16/99/50/1057169950.db2.gz RBODAHVXORPUOX-UFBFGSQYSA-N 0 3 386.208 3.781 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848562912 1057180944 /nfs/dbraw/zinc/18/09/44/1057180944.db2.gz MFHXJXLEHJYWMH-QWRGUYRKSA-N 0 3 388.302 3.792 20 10 GHCDHN C[C@@H](CCCC(F)(F)F)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001470077420 1068558886 /nfs/dbraw/zinc/55/88/86/1068558886.db2.gz FGZCDTIZZRIKMR-YOEHRIQHSA-N 0 3 388.478 3.776 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@H](CO)c1cccc(Br)c1 ZINC001474321963 1074341259 /nfs/dbraw/zinc/34/12/59/1074341259.db2.gz AIOPYWYMJAKXJF-LJQANCHMSA-N 0 3 377.326 3.989 20 10 GHCDHN COc1cc(C)cc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1O ZINC001474332605 1074348090 /nfs/dbraw/zinc/34/80/90/1074348090.db2.gz JNTOGQAHGVMNBB-LJQANCHMSA-N 0 3 383.492 3.885 20 10 GHCDHN COC(=O)[C@@H](C)Oc1ccccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001474415098 1074395563 /nfs/dbraw/zinc/39/55/63/1074395563.db2.gz SAKKMSBRZJJHED-QGZVFWFLSA-N 0 3 382.504 3.858 20 10 GHCDHN CC(C)c1ccc(O)c(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001474612449 1074483815 /nfs/dbraw/zinc/48/38/15/1074483815.db2.gz INAZZIKUSYDNBC-UPVQGACJSA-N 0 3 380.532 3.991 20 10 GHCDHN CCCOc1ccc(CN[C@H]2CCc3cc(C(=O)OC)ccc3NC2=O)cc1C ZINC001474724956 1074535089 /nfs/dbraw/zinc/53/50/89/1074535089.db2.gz YGLCRSWXEYXRGH-FQEVSTJZSA-N 0 3 396.487 3.614 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(OC(F)F)cc2)N(C)C)cc1 ZINC001475923495 1075049932 /nfs/dbraw/zinc/04/99/32/1075049932.db2.gz GWBBYDITEHXVCL-GOSISDBHSA-N 0 3 392.450 3.778 20 10 GHCDHN CCOCc1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OC ZINC001655608382 1126255299 /nfs/dbraw/zinc/25/52/99/1126255299.db2.gz CZLOJXHMPUVZOZ-ICSRJNTNSA-N 0 3 397.437 3.856 20 10 GHCDHN COc1ccc(CNc2cc(CN3CCSCC3)ccc2C)c(O)c1OC ZINC000892353770 834960297 /nfs/dbraw/zinc/96/02/97/834960297.db2.gz CPEHEBLRRKSKTC-UHFFFAOYSA-N 0 3 388.533 3.879 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000162001087 835508170 /nfs/dbraw/zinc/50/81/70/835508170.db2.gz ANHPYDLRRKUPFG-DYESRHJHSA-N 0 3 397.494 3.509 20 10 GHCDHN COc1ccc(CNC2(c3ccc(Br)cc3)CC2)c(O)c1OC ZINC000892460182 835794907 /nfs/dbraw/zinc/79/49/07/835794907.db2.gz NYAXFANPKOBWPI-UHFFFAOYSA-N 0 3 378.266 3.951 20 10 GHCDHN COc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c(O)c1OC ZINC000892461875 835799961 /nfs/dbraw/zinc/79/99/61/835799961.db2.gz KUECNPGYJJGYHD-UHFFFAOYSA-N 0 3 379.840 3.514 20 10 GHCDHN COc1ccc(CNCc2c(C)nn(Cc3ccccc3)c2C)c(O)c1OC ZINC000892466676 835815181 /nfs/dbraw/zinc/81/51/81/835815181.db2.gz GFZFIBHFXRZOFF-UHFFFAOYSA-N 0 3 381.476 3.561 20 10 GHCDHN CCN1CCN(c2ccc(C(=O)NCc3c(C)c4ccccc4n3C)cc2)CC1 ZINC000473283914 844138588 /nfs/dbraw/zinc/13/85/88/844138588.db2.gz RVNDKFHPTOLKNZ-UHFFFAOYSA-N 0 3 390.531 3.559 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)c1ccc(C(C)C)cc1)cc2=O ZINC000730933438 861359303 /nfs/dbraw/zinc/35/93/03/861359303.db2.gz BTGTWWJIOPLLHQ-UHFFFAOYSA-N 0 3 396.491 3.760 20 10 GHCDHN COC(=O)c1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)[nH]c1C(C)C ZINC000894208738 844817430 /nfs/dbraw/zinc/81/74/30/844817430.db2.gz KZMKFLNAMZXXBM-MRXNPFEDSA-N 0 3 385.508 3.612 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766027928 861668526 /nfs/dbraw/zinc/66/85/26/861668526.db2.gz BCZOSPMSGONAIO-CQSZACIVSA-N 0 3 382.476 3.908 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000273766659 847438091 /nfs/dbraw/zinc/43/80/91/847438091.db2.gz PZENMYQEMPNHTB-UHFFFAOYSA-N 0 3 380.916 3.715 20 10 GHCDHN Cc1cc(CC(=O)N(C)[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000732033934 862035354 /nfs/dbraw/zinc/03/53/54/862035354.db2.gz CHMSBCRAMKQGNS-NRFANRHFSA-N 0 3 385.939 3.985 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000732133697 862084887 /nfs/dbraw/zinc/08/48/87/862084887.db2.gz GGIDSSNNMLTGBP-GOSISDBHSA-N 0 3 376.504 3.739 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCCCOC1CCCCC1 ZINC000732204990 862144744 /nfs/dbraw/zinc/14/47/44/862144744.db2.gz WVOUXMOZPYCECB-UHFFFAOYSA-N 0 3 388.552 3.992 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCCCOC1CCCCC1 ZINC000732204990 862144748 /nfs/dbraw/zinc/14/47/48/862144748.db2.gz WVOUXMOZPYCECB-UHFFFAOYSA-N 0 3 388.552 3.992 20 10 GHCDHN CCOc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204889 862144836 /nfs/dbraw/zinc/14/48/36/862144836.db2.gz VRQJTZLKIMPQQH-HXUWFJFHSA-N 0 3 385.504 3.975 20 10 GHCDHN CCOc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204889 862144842 /nfs/dbraw/zinc/14/48/42/862144842.db2.gz VRQJTZLKIMPQQH-HXUWFJFHSA-N 0 3 385.504 3.975 20 10 GHCDHN Cc1cc(CCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccccc1 ZINC000732441486 862295433 /nfs/dbraw/zinc/29/54/33/862295433.db2.gz IKJMSPVFUJDCJH-QFIPXVFZSA-N 0 3 380.536 3.515 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000732469650 862306900 /nfs/dbraw/zinc/30/69/00/862306900.db2.gz JDEGDHWFYWDUMG-IBGZPJMESA-N 0 3 382.552 3.805 20 10 GHCDHN CC[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000156636250 853974952 /nfs/dbraw/zinc/97/49/52/853974952.db2.gz XIHQPESQCANZHD-NRFANRHFSA-N 0 3 381.520 3.562 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000760699713 854373615 /nfs/dbraw/zinc/37/36/15/854373615.db2.gz DBRIFNVFURZYMG-JOCHJYFZSA-N 0 3 379.456 3.803 20 10 GHCDHN COc1cc(C)cc(CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1O ZINC000895366001 859275258 /nfs/dbraw/zinc/27/52/58/859275258.db2.gz LUWQTCPRWHLVLL-UHFFFAOYSA-N 0 3 383.423 3.672 20 10 GHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(C)c1F ZINC000765980117 859366112 /nfs/dbraw/zinc/36/61/12/859366112.db2.gz PHFPFQQPZVMEHB-QGZVFWFLSA-N 0 3 390.524 3.528 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cnc2ccsc2c1 ZINC000765257130 859874630 /nfs/dbraw/zinc/87/46/30/859874630.db2.gz WPGSBZHSVMTZOP-WBVHZDCISA-N 0 3 394.544 3.849 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Br)cc1 ZINC000727831323 860282627 /nfs/dbraw/zinc/28/26/27/860282627.db2.gz VZMUPGBIIPTBFH-KRWDZBQOSA-N 0 3 394.309 3.807 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Br)cc1 ZINC000727831323 860282641 /nfs/dbraw/zinc/28/26/41/860282641.db2.gz VZMUPGBIIPTBFH-KRWDZBQOSA-N 0 3 394.309 3.807 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765662115 860389766 /nfs/dbraw/zinc/38/97/66/860389766.db2.gz JQXYYIKGVSDXOF-QFIPXVFZSA-N 0 3 384.568 3.835 20 10 GHCDHN C[C@H]1CN(C(=O)c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)C[C@H](C)O1 ZINC000921596784 860548236 /nfs/dbraw/zinc/54/82/36/860548236.db2.gz OYYARDGEEYEKCU-ROUUACIJSA-N 0 3 394.515 3.551 20 10 GHCDHN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)N1CCCCCC1 ZINC000733892504 863313177 /nfs/dbraw/zinc/31/31/77/863313177.db2.gz GOLSDQIFOGTIQZ-DENIHFKCSA-N 0 3 387.568 3.525 20 10 GHCDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000062487343 863449528 /nfs/dbraw/zinc/44/95/28/863449528.db2.gz GDFVOCDOZRTFRT-UHFFFAOYSA-N 0 3 398.526 3.699 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000734004870 863915105 /nfs/dbraw/zinc/91/51/05/863915105.db2.gz IBWSEKKWQBOFNT-INIZCTEOSA-N 0 3 380.410 3.784 20 10 GHCDHN C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[O-] ZINC000763726961 864882966 /nfs/dbraw/zinc/88/29/66/864882966.db2.gz AIKIWMADEZWMCO-WBMJQRKESA-N 0 3 375.266 3.611 20 10 GHCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[C@@H]1C ZINC000792979227 881835479 /nfs/dbraw/zinc/83/54/79/881835479.db2.gz HAJJDQGUUJJKGL-PDWMJMLSSA-N 0 3 394.943 3.577 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000740917037 866104333 /nfs/dbraw/zinc/10/43/33/866104333.db2.gz JXIMMWDWISBNJI-HSZRJFAPSA-N 0 3 390.531 3.527 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000742156219 867109491 /nfs/dbraw/zinc/10/94/91/867109491.db2.gz GLASBHYSVILWHQ-UHFFFAOYSA-N 0 3 376.485 3.872 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(N2CCCCC2)cc1 ZINC000742373773 867268038 /nfs/dbraw/zinc/26/80/38/867268038.db2.gz DRJDFFHTGSBSPN-QHCPKHFHSA-N 0 3 390.531 3.605 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)c([O-])c1 ZINC000793387179 882162110 /nfs/dbraw/zinc/16/21/10/882162110.db2.gz AIPPTBBQAYUJPU-GFCCVEGCSA-N 0 3 378.856 3.570 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000793604034 882307353 /nfs/dbraw/zinc/30/73/53/882307353.db2.gz BXCBSPIDHMQPDO-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000793604034 882307372 /nfs/dbraw/zinc/30/73/72/882307372.db2.gz BXCBSPIDHMQPDO-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768465263 873330830 /nfs/dbraw/zinc/33/08/30/873330830.db2.gz YTMWGWRIJVLFQC-SCLBCKFNSA-N 0 3 396.270 3.778 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768465263 873330845 /nfs/dbraw/zinc/33/08/45/873330845.db2.gz YTMWGWRIJVLFQC-SCLBCKFNSA-N 0 3 396.270 3.778 20 10 GHCDHN Fc1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000769035638 873753623 /nfs/dbraw/zinc/75/36/23/873753623.db2.gz SWHYCOJQAWXMAK-OAQYLSRUSA-N 0 3 384.495 3.844 20 10 GHCDHN Fc1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)ccc1N1CCOCC1 ZINC000769035633 873753674 /nfs/dbraw/zinc/75/36/74/873753674.db2.gz SWHYCOJQAWXMAK-NRFANRHFSA-N 0 3 384.495 3.844 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccccc3N(C)C)cc2F)CC1 ZINC000769685155 874207025 /nfs/dbraw/zinc/20/70/25/874207025.db2.gz BUSRSAMVBPWIBN-GOSISDBHSA-N 0 3 384.543 3.884 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000775835601 874323982 /nfs/dbraw/zinc/32/39/82/874323982.db2.gz GQGDVIXOAKKMPL-CHWSQXEVSA-N 0 3 390.871 3.992 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835056 874325448 /nfs/dbraw/zinc/32/54/48/874325448.db2.gz DPGQHGDAYXSTFR-INIZCTEOSA-N 0 3 391.519 3.844 20 10 GHCDHN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OCC ZINC000775834261 874343016 /nfs/dbraw/zinc/34/30/16/874343016.db2.gz QAROGIBBGIEGRW-INIZCTEOSA-N 0 3 385.508 3.839 20 10 GHCDHN C[C@@H](NCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775833745 874343782 /nfs/dbraw/zinc/34/37/82/874343782.db2.gz LBKCOKPRKZEIHD-MRXNPFEDSA-N 0 3 393.453 3.994 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)CC1 ZINC000770148168 874500424 /nfs/dbraw/zinc/50/04/24/874500424.db2.gz QPWQUQIBOSVMQS-UHFFFAOYSA-N 0 3 388.855 3.642 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)c2)CC1 ZINC000770148143 874500504 /nfs/dbraw/zinc/50/05/04/874500504.db2.gz PJVDIYOMCCDPFS-OAQYLSRUSA-N 0 3 393.531 3.975 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(Br)cc3)cc2F)CC1 ZINC001199783649 875185837 /nfs/dbraw/zinc/18/58/37/875185837.db2.gz HQJUOXYOXUMKRW-UHFFFAOYSA-N 0 3 392.316 3.630 20 10 GHCDHN COc1cc(CN[C@H]2CCN(Cc3ccccc3)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850096099 876662451 /nfs/dbraw/zinc/66/24/51/876662451.db2.gz JEBQLQCCFYMQOU-FQEVSTJZSA-N 0 3 382.504 3.589 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3c(C(C)C)nc4sc(C)nn34)C2)cc1 ZINC000850346768 876837667 /nfs/dbraw/zinc/83/76/67/876837667.db2.gz JQIKHZNGQADAQV-HNNXBMFYSA-N 0 3 385.537 3.600 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000787684280 877553028 /nfs/dbraw/zinc/55/30/28/877553028.db2.gz LPWZMYYOLXXPQP-HXUWFJFHSA-N 0 3 395.547 3.728 20 10 GHCDHN O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)Nc1cccc(F)c1 ZINC000180017985 878384285 /nfs/dbraw/zinc/38/42/85/878384285.db2.gz WQNDAZBAMYZLFW-AWEZNQCLSA-N 0 3 375.419 3.704 20 10 GHCDHN O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)Nc1cccc(F)c1 ZINC000180017985 878384304 /nfs/dbraw/zinc/38/43/04/878384304.db2.gz WQNDAZBAMYZLFW-AWEZNQCLSA-N 0 3 375.419 3.704 20 10 GHCDHN COc1cc(Cl)cc(CN[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1O ZINC000789600358 879106066 /nfs/dbraw/zinc/10/60/66/879106066.db2.gz ZULIREMMDDHCHO-QGZVFWFLSA-N 0 3 388.895 3.875 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1[O-] ZINC000789600358 879106071 /nfs/dbraw/zinc/10/60/71/879106071.db2.gz ZULIREMMDDHCHO-QGZVFWFLSA-N 0 3 388.895 3.875 20 10 GHCDHN O=C(c1cccc(Cl)c1)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000919951542 881241457 /nfs/dbraw/zinc/24/14/57/881241457.db2.gz LIBSGFMGISBGAF-UHFFFAOYSA-N 0 3 384.907 3.882 20 10 GHCDHN COc1ccc(C[C@@H](C)CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000761741846 883955521 /nfs/dbraw/zinc/95/55/21/883955521.db2.gz ALKNKFYBWRYDDA-LJQANCHMSA-N 0 3 397.563 3.530 20 10 GHCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000806433725 884672147 /nfs/dbraw/zinc/67/21/47/884672147.db2.gz ZJJPNKAAEZTDQN-XXBNENTESA-N 0 3 392.547 3.749 20 10 GHCDHN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](c1ccccc1)N(C)C ZINC000806634460 884887168 /nfs/dbraw/zinc/88/71/68/884887168.db2.gz HVOBVMMXCXCDQU-HTAPYJJXSA-N 0 3 380.536 3.560 20 10 GHCDHN COC(=O)Cc1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000862446934 886389332 /nfs/dbraw/zinc/38/93/32/886389332.db2.gz KGGMUMXHXZZQJA-UHFFFAOYSA-N 0 3 380.410 3.777 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1[O-] ZINC000808680952 886638829 /nfs/dbraw/zinc/63/88/29/886638829.db2.gz RIHSCWMLINJWBO-OAHLLOKOSA-N 0 3 388.895 3.677 20 10 GHCDHN C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546701 887205257 /nfs/dbraw/zinc/20/52/57/887205257.db2.gz MYRFRTYDRKSGGT-WCABBAIRSA-N 0 3 392.135 3.708 20 10 GHCDHN COc1cccc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1O ZINC000809686922 887706119 /nfs/dbraw/zinc/70/61/19/887706119.db2.gz PYGXZVANKOYJMX-HXUWFJFHSA-N 0 3 382.504 3.504 20 10 GHCDHN COc1cccc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1O ZINC000809686921 887706469 /nfs/dbraw/zinc/70/64/69/887706469.db2.gz PYGXZVANKOYJMX-FQEVSTJZSA-N 0 3 382.504 3.504 20 10 GHCDHN CN(C)CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(Br)c1[O-] ZINC000809736176 887712284 /nfs/dbraw/zinc/71/22/84/887712284.db2.gz ITAJNPBCKFGTOB-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CN(C)CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(Br)c1[O-] ZINC000809736176 887712298 /nfs/dbraw/zinc/71/22/98/887712298.db2.gz ITAJNPBCKFGTOB-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN COc1cc(C)c(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC000120100077 887842210 /nfs/dbraw/zinc/84/22/10/887842210.db2.gz LPFPYACLFPYJJN-UHFFFAOYSA-N 0 3 388.483 3.620 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000809793535 887847486 /nfs/dbraw/zinc/84/74/86/887847486.db2.gz YZXSZFAJBGCPKY-OFNKIYASSA-N 0 3 377.440 3.555 20 10 GHCDHN C[S@](=O)c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000809794270 887849060 /nfs/dbraw/zinc/84/90/60/887849060.db2.gz WLOIVXNCXJPCMP-MHZLTWQESA-N 0 3 381.497 3.998 20 10 GHCDHN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@]2(CCCOC2)O1 ZINC000796036453 913193681 /nfs/dbraw/zinc/19/36/81/913193681.db2.gz MXYSRDBIAZPPDB-MBSDFSHPSA-N 0 3 383.488 3.741 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000809974714 888031694 /nfs/dbraw/zinc/03/16/94/888031694.db2.gz JHGRKALNWHVOHA-JOCHJYFZSA-N 0 3 375.532 3.848 20 10 GHCDHN CN(Cc1ccccc1O)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000120290901 888080328 /nfs/dbraw/zinc/08/03/28/888080328.db2.gz AISODRRVVCFEQB-FQEVSTJZSA-N 0 3 392.421 3.805 20 10 GHCDHN Cc1cc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC000915876296 888090285 /nfs/dbraw/zinc/09/02/85/888090285.db2.gz BBOUCCPMRWUVGY-INIZCTEOSA-N 0 3 383.517 3.592 20 10 GHCDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C)cc1[O-] ZINC000794814104 888183824 /nfs/dbraw/zinc/18/38/24/888183824.db2.gz GZHCQEOMRKAVNV-WMLDXEAASA-N 0 3 394.309 3.944 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nccc2ccccc21 ZINC000810211300 888290795 /nfs/dbraw/zinc/29/07/95/888290795.db2.gz PIRHVXVDFQWYGD-YLJYHZDGSA-N 0 3 388.515 3.787 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000915888055 888546775 /nfs/dbraw/zinc/54/67/75/888546775.db2.gz HCOSYWDAADOTOW-JOCHJYFZSA-N 0 3 382.552 3.977 20 10 GHCDHN COc1cccc2c1OCCC[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000866391920 888855241 /nfs/dbraw/zinc/85/52/41/888855241.db2.gz SUVDOGSXMMUDGZ-NRFANRHFSA-N 0 3 382.504 3.660 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000122586914 889935966 /nfs/dbraw/zinc/93/59/66/889935966.db2.gz OUSFNBQIDJYIPM-UHFFFAOYSA-N 0 3 386.427 3.517 20 10 GHCDHN [O-]c1c(CNc2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)cc(Cl)c2cccnc12 ZINC001168521436 890233851 /nfs/dbraw/zinc/23/38/51/890233851.db2.gz BVRPAXXYOITHIA-INIZCTEOSA-N 0 3 394.866 3.673 20 10 GHCDHN CCOc1ccc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC000812762792 890913848 /nfs/dbraw/zinc/91/38/48/890913848.db2.gz LIXSKHQKYXOQCS-NRFANRHFSA-N 0 3 376.497 3.766 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000812781314 890962360 /nfs/dbraw/zinc/96/23/60/890962360.db2.gz PEMOPAFISLILKP-IBGZPJMESA-N 0 3 376.294 3.599 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000812781314 890962373 /nfs/dbraw/zinc/96/23/73/890962373.db2.gz PEMOPAFISLILKP-IBGZPJMESA-N 0 3 376.294 3.599 20 10 GHCDHN COC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1 ZINC000812840444 891027407 /nfs/dbraw/zinc/02/74/07/891027407.db2.gz CTALQGDZTOAZQQ-OAQYLSRUSA-N 0 3 376.447 3.920 20 10 GHCDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000813043929 891257624 /nfs/dbraw/zinc/25/76/24/891257624.db2.gz OBRTYMWNNYMCKS-OAQYLSRUSA-N 0 3 381.455 3.547 20 10 GHCDHN COc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1Cn1cccn1 ZINC000873050436 891444707 /nfs/dbraw/zinc/44/47/07/891444707.db2.gz WMXLGCODHHCXGD-UHFFFAOYSA-N 0 3 395.478 3.875 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000154325604 891618900 /nfs/dbraw/zinc/61/89/00/891618900.db2.gz OHMCUZJZNFFSEP-LEWJYISDSA-N 0 3 390.911 3.606 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000814176750 892336227 /nfs/dbraw/zinc/33/62/27/892336227.db2.gz UMECANQNDOXGEA-CZUORRHYSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176750 892336247 /nfs/dbraw/zinc/33/62/47/892336247.db2.gz UMECANQNDOXGEA-CZUORRHYSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000814176750 892336268 /nfs/dbraw/zinc/33/62/68/892336268.db2.gz UMECANQNDOXGEA-CZUORRHYSA-N 0 3 396.915 3.886 20 10 GHCDHN COc1cccc([C@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001134686434 893201308 /nfs/dbraw/zinc/20/13/08/893201308.db2.gz KDWWNSLDNQKNAI-VGOFRKELSA-N 0 3 383.536 3.674 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc([C@H]3CCCOC3)cc2)N(C)C)cc1 ZINC001134686833 893201704 /nfs/dbraw/zinc/20/17/04/893201704.db2.gz XWDWOIRZWHENCB-GMAHTHKFSA-N 0 3 395.547 3.679 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000918185301 893323179 /nfs/dbraw/zinc/32/31/79/893323179.db2.gz BMIMBYNSIWMVIW-OAQYLSRUSA-N 0 3 380.536 3.607 20 10 GHCDHN Cc1ccc2c(CCC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c2c1 ZINC001134881701 893459960 /nfs/dbraw/zinc/45/99/60/893459960.db2.gz FEOHHMYSXPQURF-HSZRJFAPSA-N 0 3 392.547 3.894 20 10 GHCDHN COc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1Cn1cccn1 ZINC000877576651 893699648 /nfs/dbraw/zinc/69/96/48/893699648.db2.gz NLCMLPQNSHBLPG-HXUWFJFHSA-N 0 3 385.533 3.851 20 10 GHCDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001135613406 894891057 /nfs/dbraw/zinc/89/10/57/894891057.db2.gz UNBLTOFUJUFNCK-INIZCTEOSA-N 0 3 382.485 3.879 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccncc3Cl)cc2F)CC1 ZINC000817578366 895747132 /nfs/dbraw/zinc/74/71/32/895747132.db2.gz UPPQNPDERPZJOE-OAHLLOKOSA-N 0 3 376.907 3.867 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)cc(Br)c1[O-] ZINC000817972448 895989629 /nfs/dbraw/zinc/98/96/29/895989629.db2.gz XRRGVCBXAYTXPD-WCABBAIRSA-N 0 3 392.135 3.708 20 10 GHCDHN Cc1cc(C(=O)Nc2ccnn2CCN(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000818945019 896287925 /nfs/dbraw/zinc/28/79/25/896287925.db2.gz YAICVXNKVZLGET-UHFFFAOYSA-N 0 3 379.508 3.721 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3c(F)ccc(F)c3F)c2)CC1 ZINC000131122093 897331819 /nfs/dbraw/zinc/33/18/19/897331819.db2.gz JSMYZZOPNQMRRG-UHFFFAOYSA-N 0 3 377.410 3.887 20 10 GHCDHN CC(C)COc1ccccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000824086485 899387790 /nfs/dbraw/zinc/38/77/90/899387790.db2.gz WMEFSUDHWYUJNR-OAQYLSRUSA-N 0 3 395.547 3.713 20 10 GHCDHN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824555536 899686254 /nfs/dbraw/zinc/68/62/54/899686254.db2.gz UYQNQPAANVPRCT-NSHDSACASA-N 0 3 386.208 3.610 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824695902 899772208 /nfs/dbraw/zinc/77/22/08/899772208.db2.gz DKSJRVFMRLHRFJ-ARFHVFGLSA-N 0 3 384.314 3.679 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824695902 899772214 /nfs/dbraw/zinc/77/22/14/899772214.db2.gz DKSJRVFMRLHRFJ-ARFHVFGLSA-N 0 3 384.314 3.679 20 10 GHCDHN Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000825046608 899950912 /nfs/dbraw/zinc/95/09/12/899950912.db2.gz VVIMBRLHHGOCOW-XXBNENTESA-N 0 3 393.487 3.715 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1[O-] ZINC000825086446 899969131 /nfs/dbraw/zinc/96/91/31/899969131.db2.gz SMYXBMYYPMEHKN-NVXWUHKLSA-N 0 3 377.282 3.868 20 10 GHCDHN COc1cc(O)c(CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000825130106 899998076 /nfs/dbraw/zinc/99/80/76/899998076.db2.gz MYPUMSCOGLKPSJ-SFHVURJKSA-N 0 3 386.275 3.714 20 10 GHCDHN CC(C)C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccn1 ZINC000886746903 901250855 /nfs/dbraw/zinc/25/08/55/901250855.db2.gz FRAYPTBHLBQKNY-JOCHJYFZSA-N 0 3 380.536 3.660 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000886751298 901255364 /nfs/dbraw/zinc/25/53/64/901255364.db2.gz MPCMOJFDXQWUDX-AWEZNQCLSA-N 0 3 388.462 3.572 20 10 GHCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000779013600 902801746 /nfs/dbraw/zinc/80/17/46/902801746.db2.gz SCJPWWMSCNGXQP-ZBFHGGJFSA-N 0 3 394.309 3.862 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000779039511 903342993 /nfs/dbraw/zinc/34/29/93/903342993.db2.gz BWZHPWRAILFRHT-LBPRGKRZSA-N 0 3 399.329 3.981 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151038907 904059515 /nfs/dbraw/zinc/05/95/15/904059515.db2.gz DBJBFPSUSCKKIZ-QGZVFWFLSA-N 0 3 384.499 3.508 20 10 GHCDHN C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000151269176 904096082 /nfs/dbraw/zinc/09/60/82/904096082.db2.gz KGXGVSXHDIUWMW-LJQANCHMSA-N 0 3 380.536 3.759 20 10 GHCDHN CCOc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000153142624 904336216 /nfs/dbraw/zinc/33/62/16/904336216.db2.gz DPJBNEUMLHZUHP-INIZCTEOSA-N 0 3 385.464 3.681 20 10 GHCDHN COc1cc(I)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC001248405722 904688055 /nfs/dbraw/zinc/68/80/55/904688055.db2.gz XKBCMVJKVBTBKK-CYBMUJFWSA-N 0 3 375.250 3.626 20 10 GHCDHN COc1cc(I)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC001248405722 904688064 /nfs/dbraw/zinc/68/80/64/904688064.db2.gz XKBCMVJKVBTBKK-CYBMUJFWSA-N 0 3 375.250 3.626 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN([C@@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173148358 906235076 /nfs/dbraw/zinc/23/50/76/906235076.db2.gz XDCBTNZAZASIKJ-CQSZACIVSA-N 0 3 383.439 3.721 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000184682494 907636978 /nfs/dbraw/zinc/63/69/78/907636978.db2.gz YVMUZIVGHMMIHU-UHFFFAOYSA-N 0 3 380.916 3.525 20 10 GHCDHN Cc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(O)c1 ZINC000185146531 907721953 /nfs/dbraw/zinc/72/19/53/907721953.db2.gz XPXUVQGEBSBDOE-HNNXBMFYSA-N 0 3 376.522 3.628 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000779620165 907935338 /nfs/dbraw/zinc/93/53/38/907935338.db2.gz QDEFGAJAKNRXPU-INIZCTEOSA-N 0 3 398.507 3.632 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000779620165 907935353 /nfs/dbraw/zinc/93/53/53/907935353.db2.gz QDEFGAJAKNRXPU-INIZCTEOSA-N 0 3 398.507 3.632 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192645231 908809194 /nfs/dbraw/zinc/80/91/94/908809194.db2.gz VZBDDXVGGHSAKT-CYBMUJFWSA-N 0 3 395.334 3.697 20 10 GHCDHN CC[C@H](NCc1ccc(N(C)CC)cc1)c1ccccc1OCC(=O)N(C)C ZINC000773812638 909483105 /nfs/dbraw/zinc/48/31/05/909483105.db2.gz RPPKOCRIMXFTRD-NRFANRHFSA-N 0 3 383.536 3.851 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(N2CCCCC2)cc1 ZINC000268761105 910003402 /nfs/dbraw/zinc/00/34/02/910003402.db2.gz NYWYEXFDFFXXJG-IBGZPJMESA-N 0 3 380.536 3.759 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000274100022 911222901 /nfs/dbraw/zinc/22/29/01/911222901.db2.gz SJJSGUWOHCKBBO-UHFFFAOYSA-N 0 3 393.462 3.720 20 10 GHCDHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774478549 911783854 /nfs/dbraw/zinc/78/38/54/911783854.db2.gz HELZEDIMUWVUEU-HOTGVXAUSA-N 0 3 387.499 3.598 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1)C(CC)CC)cc2=O ZINC000775127228 915323449 /nfs/dbraw/zinc/32/34/49/915323449.db2.gz CHDAOIKLXZGHOX-FQEVSTJZSA-N 0 3 396.491 3.879 20 10 GHCDHN CS(=O)(=O)CCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293970098 916503402 /nfs/dbraw/zinc/50/34/02/916503402.db2.gz ASDWFSHJNMFRAV-HXUWFJFHSA-N 0 3 375.534 3.871 20 10 GHCDHN CCN(Cc1ccccc1)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254097 916652722 /nfs/dbraw/zinc/65/27/22/916652722.db2.gz GKEKCHZVYCIUKX-WOJBJXKFSA-N 0 3 395.547 3.611 20 10 GHCDHN C[C@@H](NCC(=O)N(C1CC1)C1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775255866 916662247 /nfs/dbraw/zinc/66/22/47/916662247.db2.gz TUEIJVXQPDSNRZ-GSVIPDFHSA-N 0 3 399.579 3.744 20 10 GHCDHN Cc1sc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1C ZINC000775258779 916690688 /nfs/dbraw/zinc/69/06/88/916690688.db2.gz BDTIEBANOQMEFB-MRXNPFEDSA-N 0 3 387.549 3.799 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(C[S@@](C)=O)cc2)c(C(F)(F)F)c1 ZINC000796525576 918062494 /nfs/dbraw/zinc/06/24/94/918062494.db2.gz DRLUGSUYQBRMHS-AREMUKBSSA-N 0 3 384.467 3.940 20 10 GHCDHN O=C(Nc1ccc(OC(F)F)cc1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001192205364 918515227 /nfs/dbraw/zinc/51/52/27/918515227.db2.gz UMOOLLIGERLWBJ-UHFFFAOYSA-N 0 3 391.418 3.780 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000389787110 926387344 /nfs/dbraw/zinc/38/73/44/926387344.db2.gz MNTJAPGFMXQNQF-IUODEOHRSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000389787109 926387394 /nfs/dbraw/zinc/38/73/94/926387394.db2.gz MNTJAPGFMXQNQF-DOMZBBRYSA-N 0 3 384.904 3.789 20 10 GHCDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827957879 926409969 /nfs/dbraw/zinc/40/99/69/926409969.db2.gz OWYMHGNEPZLXON-RTWAWAEBSA-N 0 3 387.568 3.523 20 10 GHCDHN CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725851218 926468686 /nfs/dbraw/zinc/46/86/86/926468686.db2.gz NBJXYUREDORWGZ-UHFFFAOYSA-N 0 3 381.497 3.894 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000726190226 926583989 /nfs/dbraw/zinc/58/39/89/926583989.db2.gz TZDVKRKQHWMGAQ-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CN1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)[C@H]1c1ccccc1 ZINC000758968585 930231696 /nfs/dbraw/zinc/23/16/96/930231696.db2.gz YIOOTRFZDQKUFQ-RBBKRZOGSA-N 0 3 379.504 3.516 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000759157562 930293217 /nfs/dbraw/zinc/29/32/17/930293217.db2.gz KPXMSJSLHBDRHL-YWZLYKJASA-N 0 3 379.460 3.612 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000759157562 930293223 /nfs/dbraw/zinc/29/32/23/930293223.db2.gz KPXMSJSLHBDRHL-YWZLYKJASA-N 0 3 379.460 3.612 20 10 GHCDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1(C)C ZINC000783724463 931631064 /nfs/dbraw/zinc/63/10/64/931631064.db2.gz XFPHOKAGZMALFU-GMAHTHKFSA-N 0 3 385.504 3.627 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(I)c(C)c1 ZINC000798498418 932673641 /nfs/dbraw/zinc/67/36/41/932673641.db2.gz RUDDFAPXUAUOGS-UHFFFAOYSA-N 0 3 383.229 3.604 20 10 GHCDHN OC[C@]1(NCc2ccc(OCc3ccccc3)cc2O)CCOc2ccccc21 ZINC000799736863 933104623 /nfs/dbraw/zinc/10/46/23/933104623.db2.gz JONFZLXIFIIWRA-XMMPIXPASA-N 0 3 391.467 3.731 20 10 GHCDHN CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137834661 935813460 /nfs/dbraw/zinc/81/34/60/935813460.db2.gz OOZCVYCZZCDBJM-INIZCTEOSA-N 0 3 390.524 3.848 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(c3ccccc3)CCC2)N(C)C)cc1 ZINC001220890941 1032176044 /nfs/dbraw/zinc/17/60/44/1032176044.db2.gz PLSXQBLCXXNMIL-QFIPXVFZSA-N 0 3 394.563 3.776 20 10 GHCDHN Cc1ccc(CCCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001221022022 1032241151 /nfs/dbraw/zinc/24/11/51/1032241151.db2.gz UPIKFLDGISMOHP-HSZRJFAPSA-N 0 3 396.579 3.904 20 10 GHCDHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204276371 1032716214 /nfs/dbraw/zinc/71/62/14/1032716214.db2.gz LBHGMMFFKZSKOL-VQTJNVASSA-N 0 3 396.487 3.817 20 10 GHCDHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204276371 1032716234 /nfs/dbraw/zinc/71/62/34/1032716234.db2.gz LBHGMMFFKZSKOL-VQTJNVASSA-N 0 3 396.487 3.817 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3c(C)[nH]c4ccccc43)CC2)cc1 ZINC001204293455 1032735045 /nfs/dbraw/zinc/73/50/45/1032735045.db2.gz YQCYJMTYAWJODY-UHFFFAOYSA-N 0 3 379.504 3.824 20 10 GHCDHN FC(F)(F)c1cc(O[C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)ncn1 ZINC001204329073 1032771107 /nfs/dbraw/zinc/77/11/07/1032771107.db2.gz FCZBWRSTMBGFMM-KRWDZBQOSA-N 0 3 392.425 3.749 20 10 GHCDHN O=C1c2ccccc2CN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329535 1032773502 /nfs/dbraw/zinc/77/35/02/1032773502.db2.gz OWBSCVYLNYPACT-UHFFFAOYSA-N 0 3 375.516 3.907 20 10 GHCDHN CC(=O)n1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC001204406671 1032830973 /nfs/dbraw/zinc/83/09/73/1032830973.db2.gz HDBQZPHMIHNPFH-UHFFFAOYSA-N 0 3 377.488 3.770 20 10 GHCDHN COc1ccc(CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C2CC2)cc1 ZINC000779929298 1020973464 /nfs/dbraw/zinc/97/34/64/1020973464.db2.gz LUOZTCCVJUCAQZ-SFHVURJKSA-N 0 3 395.547 3.678 20 10 GHCDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834555040 1021269842 /nfs/dbraw/zinc/26/98/42/1021269842.db2.gz KQXXJVSRGSMRKW-JXFKEZNVSA-N 0 3 379.504 3.987 20 10 GHCDHN CC(=O)OCc1cccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000903073577 1021572686 /nfs/dbraw/zinc/57/26/86/1021572686.db2.gz PGENGRLMMOFCJM-INIZCTEOSA-N 0 3 386.467 3.576 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN(Cc1ccccc1)C1CCOCC1 ZINC001140664087 1022206428 /nfs/dbraw/zinc/20/64/28/1022206428.db2.gz YDMGRURIYKVIHI-UHFFFAOYSA-N 0 3 384.495 3.844 20 10 GHCDHN CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725847585 1022387501 /nfs/dbraw/zinc/38/75/01/1022387501.db2.gz FYLKERZWFTXINH-UHFFFAOYSA-N 0 3 382.485 3.721 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140856158 1022710974 /nfs/dbraw/zinc/71/09/74/1022710974.db2.gz RYLANILXMBIHBY-MSOLQXFVSA-N 0 3 395.519 3.676 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c(Cl)c1 ZINC001140924507 1022901083 /nfs/dbraw/zinc/90/10/83/1022901083.db2.gz PQYGLMBRSHPUTQ-FQEVSTJZSA-N 0 3 383.923 3.859 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950097 1022971184 /nfs/dbraw/zinc/97/11/84/1022971184.db2.gz MUFXZJURKAIEJN-ZEQRLZLVSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c([O-])c1 ZINC001140950097 1022971185 /nfs/dbraw/zinc/97/11/85/1022971185.db2.gz MUFXZJURKAIEJN-ZEQRLZLVSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1ccc(C[N@@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140952411 1022981594 /nfs/dbraw/zinc/98/15/94/1022981594.db2.gz QVJRMVWQVJRDTP-DLBZAZTESA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1ccc(C[N@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140952411 1022981602 /nfs/dbraw/zinc/98/16/02/1022981602.db2.gz QVJRMVWQVJRDTP-DLBZAZTESA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)c([O-])c1 ZINC001140952610 1022982222 /nfs/dbraw/zinc/98/22/22/1022982222.db2.gz ZFMNSGFJQIBFQM-UHFFFAOYSA-N 0 3 376.294 3.947 20 10 GHCDHN Cc1cnc(O[C@H]2CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)nc1 ZINC001141079275 1023445324 /nfs/dbraw/zinc/44/53/24/1023445324.db2.gz ZZCNSLWMCCCTPJ-NRFANRHFSA-N 0 3 378.520 3.527 20 10 GHCDHN CN1CCOc2cc(CN3CCC4(CN(c5ccccc5)C(=O)O4)CC3)ccc21 ZINC001141143717 1023579122 /nfs/dbraw/zinc/57/91/22/1023579122.db2.gz HEGUTLFJTMBVCG-UHFFFAOYSA-N 0 3 393.487 3.507 20 10 GHCDHN O=C1c2ccccc2C(=O)N1CCCN(Cc1ccco1)Cc1ccccc1O ZINC000756326827 1023591420 /nfs/dbraw/zinc/59/14/20/1023591420.db2.gz JQPLFAVVDYKASR-UHFFFAOYSA-N 0 3 390.439 3.674 20 10 GHCDHN COc1cc(C[C@H](CO)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc(OC)c1 ZINC000756638882 1023748541 /nfs/dbraw/zinc/74/85/41/1023748541.db2.gz WUHRELGASNRUKV-RFUYNDQBSA-N 0 3 389.467 3.538 20 10 GHCDHN Cc1c(CN2CCc3ncnc(-c4cccnc4)c3CC2)c2ccccc2n1C ZINC001138255358 1024478558 /nfs/dbraw/zinc/47/85/58/1024478558.db2.gz DJFOQSWQXZGBOP-UHFFFAOYSA-N 0 3 383.499 3.940 20 10 GHCDHN Cc1c(CN2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c2ccccc2n1C ZINC001138257170 1024482556 /nfs/dbraw/zinc/48/25/56/1024482556.db2.gz YYJJSIVAJDIKTD-UTKZUKDTSA-N 0 3 377.488 3.816 20 10 GHCDHN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341926 1024703931 /nfs/dbraw/zinc/70/39/31/1024703931.db2.gz MNIYQSWMTWYRLZ-NRFANRHFSA-N 0 3 391.515 3.694 20 10 GHCDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](c2ccccc2)C1 ZINC001138499727 1024932951 /nfs/dbraw/zinc/93/29/51/1024932951.db2.gz GKNDDCGBJJQWLV-JTHBVZDNSA-N 0 3 394.515 3.650 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140054422 1026834002 /nfs/dbraw/zinc/83/40/02/1026834002.db2.gz PYACGYIUPMITCT-QHCPKHFHSA-N 0 3 391.446 3.662 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140054422 1026834008 /nfs/dbraw/zinc/83/40/08/1026834008.db2.gz PYACGYIUPMITCT-QHCPKHFHSA-N 0 3 391.446 3.662 20 10 GHCDHN CCc1cccc2c1OCC[C@@H]2NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461174385 1069426440 /nfs/dbraw/zinc/42/64/40/1069426440.db2.gz RBJGSFUOWRXWSF-NRFANRHFSA-N 0 3 383.511 3.753 20 10 GHCDHN O=C1Nc2cc(Br)ccc2C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203550519 1027428193 /nfs/dbraw/zinc/42/81/93/1027428193.db2.gz XBKZMLPTNDBGMH-UHFFFAOYSA-N 0 3 387.277 3.641 20 10 GHCDHN CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccccc3[O-])CC2)Oc2ccccc21 ZINC001203552924 1027430661 /nfs/dbraw/zinc/43/06/61/1027430661.db2.gz VMTHSICGSPCICF-LJQANCHMSA-N 0 3 394.515 3.771 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001203555756 1027432155 /nfs/dbraw/zinc/43/21/55/1027432155.db2.gz HGMOBVYQHZZVCK-CQSZACIVSA-N 0 3 390.505 3.788 20 10 GHCDHN COc1ccc(C[N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c([O-])c1 ZINC001203628587 1027488476 /nfs/dbraw/zinc/48/84/76/1027488476.db2.gz CDFITDLLSFEKOO-MJGOQNOKSA-N 0 3 375.472 3.573 20 10 GHCDHN COc1ccc(C[N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c([O-])c1 ZINC001203628587 1027488488 /nfs/dbraw/zinc/48/84/88/1027488488.db2.gz CDFITDLLSFEKOO-MJGOQNOKSA-N 0 3 375.472 3.573 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(OC)cc3[O-])CC2)c2ccccc21 ZINC001203629872 1027490344 /nfs/dbraw/zinc/49/03/44/1027490344.db2.gz NDFXBYDTXJVBJU-SFHVURJKSA-N 0 3 394.515 3.558 20 10 GHCDHN COc1ccc(CN2CCCC[C@H]2C[N@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203634438 1027492734 /nfs/dbraw/zinc/49/27/34/1027492734.db2.gz GBGNXSLVBGFXPR-FQEVSTJZSA-N 0 3 384.520 3.896 20 10 GHCDHN COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203634438 1027492738 /nfs/dbraw/zinc/49/27/38/1027492738.db2.gz GBGNXSLVBGFXPR-FQEVSTJZSA-N 0 3 384.520 3.896 20 10 GHCDHN CS(=O)(=O)CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCC1 ZINC000840890002 1027925602 /nfs/dbraw/zinc/92/56/02/1027925602.db2.gz KPCHCNAKAZKJIY-FQEVSTJZSA-N 0 3 387.545 3.871 20 10 GHCDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000840888883 1027925711 /nfs/dbraw/zinc/92/57/11/1027925711.db2.gz INWYYUIVURDXJX-UCFODXPJSA-N 0 3 392.547 3.983 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CSc3ccccc32)N(C)C)cc1 ZINC001222145299 1029978101 /nfs/dbraw/zinc/97/81/01/1029978101.db2.gz GMKDSDDWXLWXIM-RTBURBONSA-N 0 3 384.549 3.502 20 10 GHCDHN CN(C)c1ccc(/C=C/c2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)cc1 ZINC001219203607 1031303571 /nfs/dbraw/zinc/30/35/71/1031303571.db2.gz KANALXAJXQJADW-ONEGZZNKSA-N 0 3 387.487 3.544 20 10 GHCDHN CC[C@H](C)N1CCC2(CC[NH+](Cc3cc(Cl)cc(OC)c3[O-])CC2)C1=O ZINC001277066555 1031562009 /nfs/dbraw/zinc/56/20/09/1031562009.db2.gz BIARHDWBLZINRN-AWEZNQCLSA-N 0 3 380.916 3.667 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c1O ZINC001277066881 1031562738 /nfs/dbraw/zinc/56/27/38/1031562738.db2.gz JVWKPQYEHKMEDA-IAGOWNOFSA-N 0 3 378.900 3.562 20 10 GHCDHN CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001277066927 1031562770 /nfs/dbraw/zinc/56/27/70/1031562770.db2.gz LWOSFPAXHFFQEA-INIZCTEOSA-N 0 3 380.916 3.573 20 10 GHCDHN CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001277066927 1031562784 /nfs/dbraw/zinc/56/27/84/1031562784.db2.gz LWOSFPAXHFFQEA-INIZCTEOSA-N 0 3 380.916 3.573 20 10 GHCDHN CC[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001277067175 1031565312 /nfs/dbraw/zinc/56/53/12/1031565312.db2.gz VFIIKKYNXZBLSY-XJKSGUPXSA-N 0 3 380.916 3.571 20 10 GHCDHN CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001277067175 1031565327 /nfs/dbraw/zinc/56/53/27/1031565327.db2.gz VFIIKKYNXZBLSY-XJKSGUPXSA-N 0 3 380.916 3.571 20 10 GHCDHN C[C@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1Cc1ccccc1 ZINC001229587233 1033574503 /nfs/dbraw/zinc/57/45/03/1033574503.db2.gz AESLGLMLKSLKPK-JTSKRJEESA-N 0 3 393.531 3.733 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)cc1Br ZINC001277426925 1033764924 /nfs/dbraw/zinc/76/49/24/1033764924.db2.gz MDIIDCGXPSQZMU-IBGZPJMESA-N 0 3 395.341 3.544 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)cc1Br ZINC001277426925 1033764935 /nfs/dbraw/zinc/76/49/35/1033764935.db2.gz MDIIDCGXPSQZMU-IBGZPJMESA-N 0 3 395.341 3.544 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001207711355 1034538878 /nfs/dbraw/zinc/53/88/78/1034538878.db2.gz BETBGTYEKWHFGT-TZMCWYRMSA-N 0 3 384.904 3.647 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001207711355 1034538886 /nfs/dbraw/zinc/53/88/86/1034538886.db2.gz BETBGTYEKWHFGT-TZMCWYRMSA-N 0 3 384.904 3.647 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001231469979 1034615350 /nfs/dbraw/zinc/61/53/50/1034615350.db2.gz ZFYNXOUIZRIVLM-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN COc1ccc(Br)c(CN2CCC(n3nccc3C)CC2)c1O ZINC001231555774 1034707002 /nfs/dbraw/zinc/70/70/02/1034707002.db2.gz SBFUMEWRXDTABD-UHFFFAOYSA-N 0 3 380.286 3.505 20 10 GHCDHN Oc1ccc2ccccc2c1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001231586615 1034737377 /nfs/dbraw/zinc/73/73/77/1034737377.db2.gz JTRFOLSTFSHOFO-XKCSPQBFSA-N 0 3 376.456 3.751 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001231587174 1034739599 /nfs/dbraw/zinc/73/95/99/1034739599.db2.gz LEFKYSZSIKMAGX-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001231587174 1034739611 /nfs/dbraw/zinc/73/96/11/1034739611.db2.gz LEFKYSZSIKMAGX-UHFFFAOYSA-N 0 3 382.467 3.998 20 10 GHCDHN CCOC(=O)c1csc(N2CCN(Cc3c(O)ccc4ccccc43)CC2)n1 ZINC001231590092 1034744363 /nfs/dbraw/zinc/74/43/63/1034744363.db2.gz IYVVERUUBWMIQX-UHFFFAOYSA-N 0 3 397.500 3.501 20 10 GHCDHN CCOC(=O)c1csc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC001231590092 1034744369 /nfs/dbraw/zinc/74/43/69/1034744369.db2.gz IYVVERUUBWMIQX-UHFFFAOYSA-N 0 3 397.500 3.501 20 10 GHCDHN COc1cc(CN2CCC(Oc3ccccc3OC(C)C)CC2)c(O)cc1O ZINC001231636948 1034794950 /nfs/dbraw/zinc/79/49/50/1034794950.db2.gz BOHHSJJGPWOOGB-UHFFFAOYSA-N 0 3 387.476 3.937 20 10 GHCDHN COc1cc(CN2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c(O)cc1O ZINC001231638230 1034795231 /nfs/dbraw/zinc/79/52/31/1034795231.db2.gz WTUCUMHNWQYYNC-UHFFFAOYSA-N 0 3 395.459 3.844 20 10 GHCDHN COc1cc(N(C)C)ccc1CN(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231851540 1034942649 /nfs/dbraw/zinc/94/26/49/1034942649.db2.gz ISOPSNXQZGBCCI-SFHVURJKSA-N 0 3 377.529 3.593 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001231858315 1034946929 /nfs/dbraw/zinc/94/69/29/1034946929.db2.gz SQVAUJRETLMUOK-FQEVSTJZSA-N 0 3 382.504 3.717 20 10 GHCDHN Cc1cnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001160616029 1035016443 /nfs/dbraw/zinc/01/64/43/1035016443.db2.gz BALQCVBQCFHUDG-RTBURBONSA-N 0 3 380.404 3.563 20 10 GHCDHN Cc1c[nH]c2ncnc(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3[O-])c12 ZINC001160616692 1035016994 /nfs/dbraw/zinc/01/69/94/1035016994.db2.gz OZXPNMZTULQITP-RTBURBONSA-N 0 3 375.432 3.531 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001161135524 1035154953 /nfs/dbraw/zinc/15/49/53/1035154953.db2.gz YMHQTHIKIILVTF-QFIPXVFZSA-N 0 3 397.563 3.848 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@H](C)[C@H]2C)c1O ZINC001248401187 1035814415 /nfs/dbraw/zinc/81/44/15/1035814415.db2.gz QNWXQXRIPYTEFS-WDEREUQCSA-N 0 3 375.250 3.626 20 10 GHCDHN COc1cccc(O[C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233111433 1038901731 /nfs/dbraw/zinc/90/17/31/1038901731.db2.gz NOSJOZPOEHZUKC-OAHLLOKOSA-N 0 3 393.281 3.520 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001233195735 1038961167 /nfs/dbraw/zinc/96/11/67/1038961167.db2.gz QDKNMXYNFIDVAJ-UHFFFAOYSA-N 0 3 378.266 3.647 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCCC2(C1)OCCO2 ZINC001233195735 1038961175 /nfs/dbraw/zinc/96/11/75/1038961175.db2.gz QDKNMXYNFIDVAJ-UHFFFAOYSA-N 0 3 378.266 3.647 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1[O-] ZINC001233289083 1039070106 /nfs/dbraw/zinc/07/01/06/1039070106.db2.gz JDCBGVJCTUBXCD-LJQANCHMSA-N 0 3 392.908 3.745 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1[O-] ZINC001233289083 1039070129 /nfs/dbraw/zinc/07/01/29/1039070129.db2.gz JDCBGVJCTUBXCD-LJQANCHMSA-N 0 3 392.908 3.745 20 10 GHCDHN CC(C)(C)OC(=O)N1CCCC[C@]12CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483345 1039382292 /nfs/dbraw/zinc/38/22/92/1039382292.db2.gz WLJRYIZQKAKFJH-OAQYLSRUSA-N 0 3 392.496 3.559 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H]3CCN4Cc5ccccc5N=C34)cc2)CC1 ZINC001234660059 1040195355 /nfs/dbraw/zinc/19/53/55/1040195355.db2.gz COQFHSDSJZAWFA-QFIPXVFZSA-N 0 3 376.504 3.525 20 10 GHCDHN CC(C)(C)OC(=O)CN1CCN(Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996219 1040490189 /nfs/dbraw/zinc/49/01/89/1040490189.db2.gz WYHKDIWGSCRRKI-UHFFFAOYSA-N 0 3 382.504 3.519 20 10 GHCDHN [O-]c1c(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1C(F)(F)F ZINC001235354384 1040833509 /nfs/dbraw/zinc/83/35/09/1040833509.db2.gz FPAUYTGVNKVBJS-UYAOXDASSA-N 0 3 376.422 3.990 20 10 GHCDHN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC3)cn1 ZINC001235684658 1041154624 /nfs/dbraw/zinc/15/46/24/1041154624.db2.gz ZCKPVAAREFBGJV-SFHVURJKSA-N 0 3 383.536 3.962 20 10 GHCDHN CN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216424 1041625602 /nfs/dbraw/zinc/62/56/02/1041625602.db2.gz KRBNKPKICQVUJY-CHWSQXEVSA-N 0 3 381.236 3.875 20 10 GHCDHN C[C@@H](Cc1ccsc1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236618 1041670311 /nfs/dbraw/zinc/67/03/11/1041670311.db2.gz IIEVPUNCUZKDLZ-JXFKEZNVSA-N 0 3 388.581 3.689 20 10 GHCDHN COc1cc([O-])c(CN(Cc2ccccc2F)C2CC[NH2+]CC2)cc1Cl ZINC001236369249 1041685237 /nfs/dbraw/zinc/68/52/37/1041685237.db2.gz HPEIYMJFXATJTL-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCC(Oc2cnccn2)CC1 ZINC001236782180 1041889032 /nfs/dbraw/zinc/88/90/32/1041889032.db2.gz JMAYMQSYCLGSPF-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001236784265 1041890552 /nfs/dbraw/zinc/89/05/52/1041890552.db2.gz AYYKGDPIFGSZCE-FQEVSTJZSA-N 0 3 375.415 3.971 20 10 GHCDHN CCc1ccc(C[N@H+](CCOC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786890 1041893012 /nfs/dbraw/zinc/89/30/12/1041893012.db2.gz FFRAVALBFHTTKD-LJQANCHMSA-N 0 3 392.540 3.803 20 10 GHCDHN CCc1ccc(C[N@@H+](CCOC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236786890 1041893018 /nfs/dbraw/zinc/89/30/18/1041893018.db2.gz FFRAVALBFHTTKD-LJQANCHMSA-N 0 3 392.540 3.803 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001236789506 1041896076 /nfs/dbraw/zinc/89/60/76/1041896076.db2.gz HPIXZNSOIXNKBD-HOTGVXAUSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001236789506 1041896084 /nfs/dbraw/zinc/89/60/84/1041896084.db2.gz HPIXZNSOIXNKBD-HOTGVXAUSA-N 0 3 378.303 3.658 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1c1ccccc1 ZINC001236822285 1041916689 /nfs/dbraw/zinc/91/66/89/1041916689.db2.gz ZHTCMPAVNWZBKI-FPOVZHCZSA-N 0 3 383.488 3.878 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C[C@H]1c1ccccc1 ZINC001236822285 1041916690 /nfs/dbraw/zinc/91/66/90/1041916690.db2.gz ZHTCMPAVNWZBKI-FPOVZHCZSA-N 0 3 383.488 3.878 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)cc2C1 ZINC001236852495 1041928488 /nfs/dbraw/zinc/92/84/88/1041928488.db2.gz QQDOGAXTDJYTSH-CALCHBBNSA-N 0 3 388.508 3.610 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)cc2C1 ZINC001236852495 1041928490 /nfs/dbraw/zinc/92/84/90/1041928490.db2.gz QQDOGAXTDJYTSH-CALCHBBNSA-N 0 3 388.508 3.610 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001237048041 1042006457 /nfs/dbraw/zinc/00/64/57/1042006457.db2.gz HSRHRHUMEKMHJV-QPPBQGQZSA-N 0 3 378.516 3.964 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001237048041 1042006465 /nfs/dbraw/zinc/00/64/65/1042006465.db2.gz HSRHRHUMEKMHJV-QPPBQGQZSA-N 0 3 378.516 3.964 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c([O-])c1 ZINC001237051417 1042010239 /nfs/dbraw/zinc/01/02/39/1042010239.db2.gz LXRFSSNGZWVXIM-UHFFFAOYSA-N 0 3 384.442 3.892 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001237052368 1042010345 /nfs/dbraw/zinc/01/03/45/1042010345.db2.gz WNNUXCJWYGJOOM-UHFFFAOYSA-N 0 3 399.388 3.580 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001237052368 1042010352 /nfs/dbraw/zinc/01/03/52/1042010352.db2.gz WNNUXCJWYGJOOM-UHFFFAOYSA-N 0 3 399.388 3.580 20 10 GHCDHN CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237053321 1042011483 /nfs/dbraw/zinc/01/14/83/1042011483.db2.gz JCCQLZYHBVKPBO-FQEVSTJZSA-N 0 3 388.552 3.613 20 10 GHCDHN COc1cc([O-])c(CN(C)CC[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC001237066754 1042017238 /nfs/dbraw/zinc/01/72/38/1042017238.db2.gz FCSPXPFTIPQWKF-UHFFFAOYSA-N 0 3 393.325 3.727 20 10 GHCDHN COc1cc([O-])c(CN(C)CC[N@@H+](C)Cc2ccccc2)c(Br)c1 ZINC001237066754 1042017247 /nfs/dbraw/zinc/01/72/47/1042017247.db2.gz FCSPXPFTIPQWKF-UHFFFAOYSA-N 0 3 393.325 3.727 20 10 GHCDHN CC1(C(=O)N2CCCC2)CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237122186 1042049799 /nfs/dbraw/zinc/04/97/99/1042049799.db2.gz FVIMSGGHLGAYGJ-UHFFFAOYSA-N 0 3 386.414 3.515 20 10 GHCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1)N1CCCC1 ZINC001237651000 1042304460 /nfs/dbraw/zinc/30/44/60/1042304460.db2.gz XXLPUNRFIYAJBQ-OAQYLSRUSA-N 0 3 397.494 3.968 20 10 GHCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1)N1CCCC1 ZINC001237651000 1042304466 /nfs/dbraw/zinc/30/44/66/1042304466.db2.gz XXLPUNRFIYAJBQ-OAQYLSRUSA-N 0 3 397.494 3.968 20 10 GHCDHN COC(=O)[C@@H]1CCN(Cc2cc(OC)cc(OC)c2O)[C@@H](c2ccccc2)C1 ZINC001237681067 1042322508 /nfs/dbraw/zinc/32/25/08/1042322508.db2.gz NYYNQLXDJZPHFI-VQIMIIECSA-N 0 3 385.460 3.536 20 10 GHCDHN COCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237690655 1042328524 /nfs/dbraw/zinc/32/85/24/1042328524.db2.gz ZFPLSBSEMSTETM-KRWDZBQOSA-N 0 3 398.931 3.812 20 10 GHCDHN COCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237690655 1042328530 /nfs/dbraw/zinc/32/85/30/1042328530.db2.gz ZFPLSBSEMSTETM-KRWDZBQOSA-N 0 3 398.931 3.812 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1[O-] ZINC001238063278 1042480049 /nfs/dbraw/zinc/48/00/49/1042480049.db2.gz ZDWFWGKOOZCXHW-QFIPXVFZSA-N 0 3 386.442 3.603 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1[O-] ZINC001238063278 1042480051 /nfs/dbraw/zinc/48/00/51/1042480051.db2.gz ZDWFWGKOOZCXHW-QFIPXVFZSA-N 0 3 386.442 3.603 20 10 GHCDHN CN1CCN(Cc2ccccc2-c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256987451 1043786714 /nfs/dbraw/zinc/78/67/14/1043786714.db2.gz CBZVASKQWSMIRR-UHFFFAOYSA-N 0 3 399.498 3.942 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001294413795 1044611829 /nfs/dbraw/zinc/61/18/29/1044611829.db2.gz DNABBTXQFDGGHJ-WOJBJXKFSA-N 0 3 383.536 3.713 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)ccc1C ZINC001261798267 1046097252 /nfs/dbraw/zinc/09/72/52/1046097252.db2.gz GLMKKEQXJJIEGU-NRFANRHFSA-N 0 3 379.504 3.524 20 10 GHCDHN Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC001279696830 1047920593 /nfs/dbraw/zinc/92/05/93/1047920593.db2.gz BMUYIYIOVHCVJO-GOOCMWNKSA-N 0 3 379.476 3.721 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000733330714 1049372510 /nfs/dbraw/zinc/37/25/10/1049372510.db2.gz JURHYSAWKFZHLG-OAHLLOKOSA-N 0 3 397.479 3.927 20 10 GHCDHN Cc1oc(-c2cccs2)nc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289599492 1049556075 /nfs/dbraw/zinc/55/60/75/1049556075.db2.gz DIDALAMWJGEMHE-QGZVFWFLSA-N 0 3 398.532 3.810 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cccc(Br)c3)cc2F)CC1 ZINC001308243397 1049924290 /nfs/dbraw/zinc/92/42/90/1049924290.db2.gz OAQAMWSXSKAEHE-UHFFFAOYSA-N 0 3 392.316 3.630 20 10 GHCDHN COc1cc(C)c(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001308840793 1050118661 /nfs/dbraw/zinc/11/86/61/1050118661.db2.gz IYTKGAWZTNPOHC-UHFFFAOYSA-N 0 3 378.513 3.836 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(Cl)cc2F)N(C)C)cc1 ZINC001312557480 1052790045 /nfs/dbraw/zinc/79/00/45/1052790045.db2.gz KWCSPHVJIRHMNW-LJQANCHMSA-N 0 3 392.906 3.647 20 10 GHCDHN CCN(C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[C@H]1CCN(C)C1 ZINC001312587438 1052801064 /nfs/dbraw/zinc/80/10/64/1052801064.db2.gz YYVTVGHFHNPHNU-WMZOPIPTSA-N 0 3 392.975 3.812 20 10 GHCDHN CN1CCN(c2ccc(CN3CC=C(c4ccc(O)cc4)CC3)cc2F)CC1 ZINC001320475838 1055824826 /nfs/dbraw/zinc/82/48/26/1055824826.db2.gz PCFMVUOVMMPAOQ-UHFFFAOYSA-N 0 3 381.495 3.572 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1[O-] ZINC000848524184 1057147780 /nfs/dbraw/zinc/14/77/80/1057147780.db2.gz CMHSGOLDOLWERF-RKDXNWHRSA-N 0 3 386.208 3.781 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)c2ccccc2C)c1[O-] ZINC000848530536 1057153348 /nfs/dbraw/zinc/15/33/48/1057153348.db2.gz ALCCRWRYOPUTPS-MLGOLLRUSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000848535931 1057158088 /nfs/dbraw/zinc/15/80/88/1057158088.db2.gz MBTMTRZJCCQDPL-CWTRNNRKSA-N 0 3 392.293 3.648 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1[O-] ZINC000848537822 1057159869 /nfs/dbraw/zinc/15/98/69/1057159869.db2.gz OMUYZQKPXRBMCC-LLVKDONJSA-N 0 3 396.329 3.797 20 10 GHCDHN Cc1ncncc1[C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000848539752 1057161713 /nfs/dbraw/zinc/16/17/13/1057161713.db2.gz MWEQWDWUVNSUOB-QRWLVFNGSA-N 0 3 399.539 3.768 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848929115 1057430428 /nfs/dbraw/zinc/43/04/28/1057430428.db2.gz ASKHEQBORUWZDU-QFIPXVFZSA-N 0 3 396.531 3.658 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848929115 1057430436 /nfs/dbraw/zinc/43/04/36/1057430436.db2.gz ASKHEQBORUWZDU-QFIPXVFZSA-N 0 3 396.531 3.658 20 10 GHCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC001439961193 1058368161 /nfs/dbraw/zinc/36/81/61/1058368161.db2.gz PJJBBPLFXHNHJL-VLIAUNLRSA-N 0 3 375.463 3.553 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1[O-] ZINC001339285764 1059070289 /nfs/dbraw/zinc/07/02/89/1059070289.db2.gz DWSMYZVOOZMMMD-UKRRQHHQSA-N 0 3 386.330 3.539 20 10 GHCDHN COC(=O)c1cccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC001339695534 1059397126 /nfs/dbraw/zinc/39/71/26/1059397126.db2.gz AWOWSDDRWSQOFX-IYBDPMFKSA-N 0 3 386.467 3.516 20 10 GHCDHN CCC(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC001458685899 1063920596 /nfs/dbraw/zinc/92/05/96/1063920596.db2.gz YTUBGJNTTGOGJI-FQEVSTJZSA-N 0 3 384.480 3.968 20 10 GHCDHN Cc1cc(N(C)C)cc(C)c1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001465974356 1065942728 /nfs/dbraw/zinc/94/27/28/1065942728.db2.gz TZUDXYTVSCTQHK-OAQYLSRUSA-N 0 3 397.567 3.860 20 10 GHCDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467340437 1067237812 /nfs/dbraw/zinc/23/78/12/1067237812.db2.gz NWKIYMBAFYYHMR-IBGZPJMESA-N 0 3 381.480 3.735 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001468744284 1067857005 /nfs/dbraw/zinc/85/70/05/1067857005.db2.gz RKBRABHPYBEMJD-HSZRJFAPSA-N 0 3 380.536 3.525 20 10 GHCDHN CC(C)[C@H](CC(F)(F)F)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469829470 1068413577 /nfs/dbraw/zinc/41/35/77/1068413577.db2.gz NVSBWTQLGQVJQP-IRXDYDNUSA-N 0 3 388.478 3.632 20 10 GHCDHN COc1ccc(N(C)CCN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC001460334036 1068930129 /nfs/dbraw/zinc/93/01/29/1068930129.db2.gz IZKANXGPBZMWHJ-UHFFFAOYSA-N 0 3 392.499 3.859 20 10 GHCDHN C[C@@H](CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001478542141 1078910720 /nfs/dbraw/zinc/91/07/20/1078910720.db2.gz MSWDROGXCNVROS-AVRDEDQJSA-N 0 3 382.552 3.848 20 10 GHCDHN CC(C)Oc1ccc([C@H](CNC(=O)N2Cc3cccc(O)c3C2)N(C)C)cc1 ZINC001478756483 1078977134 /nfs/dbraw/zinc/97/71/34/1078977134.db2.gz KRIFDJFEVKFYMJ-FQEVSTJZSA-N 0 3 383.492 3.508 20 10 GHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC001473424155 1073958717 /nfs/dbraw/zinc/95/87/17/1073958717.db2.gz HKXJEAYLSVQDBO-HNNXBMFYSA-N 0 3 387.455 3.870 20 10 GHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC001473424155 1073958720 /nfs/dbraw/zinc/95/87/20/1073958720.db2.gz HKXJEAYLSVQDBO-HNNXBMFYSA-N 0 3 387.455 3.870 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC2CCC(F)(F)CC2)N(C)C)cc1 ZINC001479533001 1079224082 /nfs/dbraw/zinc/22/40/82/1079224082.db2.gz HIVXXBPKCQIBIQ-IBGZPJMESA-N 0 3 396.526 3.870 20 10 GHCDHN Cc1ccc(CC(C)(C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001479535373 1079224821 /nfs/dbraw/zinc/22/48/21/1079224821.db2.gz UXLDQEKCVNSGQO-JOCHJYFZSA-N 0 3 396.579 3.984 20 10 GHCDHN CN(C)c1cc(F)c(CNCCOc2ccc(C(F)(F)F)cn2)cc1F ZINC001474067424 1074252547 /nfs/dbraw/zinc/25/25/47/1074252547.db2.gz SBEGWPGEEVHKTD-UHFFFAOYSA-N 0 3 375.341 3.613 20 10 GHCDHN COC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1Br ZINC001474307941 1074333846 /nfs/dbraw/zinc/33/38/46/1074333846.db2.gz VRMWPGGQVYPJFP-UHFFFAOYSA-N 0 3 391.309 3.934 20 10 GHCDHN C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001474487778 1074428784 /nfs/dbraw/zinc/42/87/84/1074428784.db2.gz USAXNEJPRFFKHR-UHFFFAOYSA-N 0 3 384.520 3.514 20 10 GHCDHN C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001474487778 1074428790 /nfs/dbraw/zinc/42/87/90/1074428790.db2.gz USAXNEJPRFFKHR-UHFFFAOYSA-N 0 3 384.520 3.514 20 10 GHCDHN COc1cc(C)cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000826178195 607846322 /nfs/dbraw/zinc/84/63/22/607846322.db2.gz NLHWCLUHLJNUFC-UHFFFAOYSA-N 0 3 381.480 3.548 20 10 GHCDHN COc1cc(C)cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000826178195 607846323 /nfs/dbraw/zinc/84/63/23/607846323.db2.gz NLHWCLUHLJNUFC-UHFFFAOYSA-N 0 3 381.480 3.548 20 10 GHCDHN COc1cc(C)cc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000826178195 607846324 /nfs/dbraw/zinc/84/63/24/607846324.db2.gz NLHWCLUHLJNUFC-UHFFFAOYSA-N 0 3 381.480 3.548 20 10 GHCDHN COc1cc(C)cc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000826178195 607846325 /nfs/dbraw/zinc/84/63/25/607846325.db2.gz NLHWCLUHLJNUFC-UHFFFAOYSA-N 0 3 381.480 3.548 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000826202206 608287035 /nfs/dbraw/zinc/28/70/35/608287035.db2.gz RNCLEYNZCQSZPT-INIZCTEOSA-N 0 3 392.507 3.716 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000826202206 608287036 /nfs/dbraw/zinc/28/70/36/608287036.db2.gz RNCLEYNZCQSZPT-INIZCTEOSA-N 0 3 392.507 3.716 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3sc(C)nc3C)cc2F)CC1 ZINC000177971847 837479156 /nfs/dbraw/zinc/47/91/56/837479156.db2.gz TUNHVMMZRUUCOI-CQSZACIVSA-N 0 3 376.545 3.892 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000153960406 834876475 /nfs/dbraw/zinc/87/64/75/834876475.db2.gz ZLHQKHMYUGKCBS-HOTGVXAUSA-N 0 3 376.522 3.835 20 10 GHCDHN C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000162001212 835528519 /nfs/dbraw/zinc/52/85/19/835528519.db2.gz ANHPYDLRRKUPFG-UWJYYQICSA-N 0 3 397.494 3.509 20 10 GHCDHN CCOCc1cc(CNC(C)(C)C(=O)NCC2CCCCC2)ccc1OC ZINC000178172557 836488551 /nfs/dbraw/zinc/48/85/51/836488551.db2.gz ZEOKPFFAVIVZNO-UHFFFAOYSA-N 0 3 376.541 3.796 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1[O-] ZINC000155368028 836890598 /nfs/dbraw/zinc/89/05/98/836890598.db2.gz TXCSRWAVDJJFOE-CBGDNZLLSA-N 0 3 382.504 3.883 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277078927 844615270 /nfs/dbraw/zinc/61/52/70/844615270.db2.gz JMOFGTVXOJUKDE-CYBMUJFWSA-N 0 3 391.313 3.573 20 10 GHCDHN COc1cccc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1O ZINC000280173445 846320873 /nfs/dbraw/zinc/32/08/73/846320873.db2.gz GEOIWJGGXDJTPA-CQSZACIVSA-N 0 3 375.774 3.896 20 10 GHCDHN C[C@H](NCc1ccc(F)c(CN(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120977617 848673928 /nfs/dbraw/zinc/67/39/28/848673928.db2.gz BHGBMIRDLPTWST-INIZCTEOSA-N 0 3 389.490 3.714 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000733334292 862876874 /nfs/dbraw/zinc/87/68/74/862876874.db2.gz FBAIJNYRBQSJFB-HXUWFJFHSA-N 0 3 396.922 3.986 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000761193536 859048452 /nfs/dbraw/zinc/04/84/52/859048452.db2.gz HMBVXVDUCIAWCM-CYBMUJFWSA-N 0 3 384.904 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000761193536 859048456 /nfs/dbraw/zinc/04/84/56/859048456.db2.gz HMBVXVDUCIAWCM-CYBMUJFWSA-N 0 3 384.904 3.743 20 10 GHCDHN C[C@H](NCCn1cnc2ccccc21)c1ccc(N2CCOCC2)cc1Cl ZINC000765395989 859947279 /nfs/dbraw/zinc/94/72/79/859947279.db2.gz KXQUEBBQUAMYBY-INIZCTEOSA-N 0 3 384.911 3.877 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000727427000 860091290 /nfs/dbraw/zinc/09/12/90/860091290.db2.gz FRZXNOZOHGIBDG-UHFFFAOYSA-N 0 3 399.487 3.886 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000734527121 864279116 /nfs/dbraw/zinc/27/91/16/864279116.db2.gz XRZIGAURMUYZEN-RXVVDRJESA-N 0 3 380.536 3.696 20 10 GHCDHN COCCOC[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000173392145 864664915 /nfs/dbraw/zinc/66/49/15/864664915.db2.gz QHMQHPAVQFQRCA-CQSZACIVSA-N 0 3 394.309 3.793 20 10 GHCDHN COCCOC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000173392145 864664919 /nfs/dbraw/zinc/66/49/19/864664919.db2.gz QHMQHPAVQFQRCA-CQSZACIVSA-N 0 3 394.309 3.793 20 10 GHCDHN CN(Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000121299895 865337372 /nfs/dbraw/zinc/33/73/72/865337372.db2.gz XMKPXDGWXHTZIO-UHFFFAOYSA-N 0 3 398.457 3.824 20 10 GHCDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000740901872 866091779 /nfs/dbraw/zinc/09/17/79/866091779.db2.gz JZCFNROKKGOUFL-IBGZPJMESA-N 0 3 380.536 3.559 20 10 GHCDHN Cc1cc(O)c(CNCC(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000742370773 867263901 /nfs/dbraw/zinc/26/39/01/867263901.db2.gz MHYCCXCSYXZWQT-UHFFFAOYSA-N 0 3 377.282 3.808 20 10 GHCDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000743978934 868526371 /nfs/dbraw/zinc/52/63/71/868526371.db2.gz BWOLAHJRWPKINC-MRXNPFEDSA-N 0 3 379.464 3.641 20 10 GHCDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438983 868840906 /nfs/dbraw/zinc/84/09/06/868840906.db2.gz WHZKDXWAKDDSSS-MRXNPFEDSA-N 0 3 378.513 3.837 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000745266911 869427391 /nfs/dbraw/zinc/42/73/91/869427391.db2.gz WXHAORQCEADGKW-JOCHJYFZSA-N 0 3 382.552 3.976 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000920866787 882425798 /nfs/dbraw/zinc/42/57/98/882425798.db2.gz JHOICYQQNWKXHA-GOYZHWMFSA-N 0 3 387.568 3.503 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@]2(CC(=O)OC)CCOC2)cc1 ZINC000766458360 870780918 /nfs/dbraw/zinc/78/09/18/870780918.db2.gz HWWPSNJDIMJZPU-QHCPKHFHSA-N 0 3 382.504 3.525 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000525995480 871838736 /nfs/dbraw/zinc/83/87/36/871838736.db2.gz XEZXXGCXKVVNCB-UHFFFAOYSA-N 0 3 388.471 3.938 20 10 GHCDHN CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(OCC)cc3[O-])CC2)n1 ZINC000763504961 872034710 /nfs/dbraw/zinc/03/47/10/872034710.db2.gz LFSIKNLIVXARFY-UHFFFAOYSA-N 0 3 390.505 3.804 20 10 GHCDHN CC(C)c1ccc(OC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)cc1 ZINC000768439041 873304105 /nfs/dbraw/zinc/30/41/05/873304105.db2.gz FUMRJXLUNNVIKE-QFIPXVFZSA-N 0 3 383.488 3.985 20 10 GHCDHN CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768466679 873332731 /nfs/dbraw/zinc/33/27/31/873332731.db2.gz ULVFSHLCHRVXBI-JOCHJYFZSA-N 0 3 376.456 3.902 20 10 GHCDHN CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768466679 873332748 /nfs/dbraw/zinc/33/27/48/873332748.db2.gz ULVFSHLCHRVXBI-JOCHJYFZSA-N 0 3 376.456 3.902 20 10 GHCDHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768892872 873654507 /nfs/dbraw/zinc/65/45/07/873654507.db2.gz NJWTWLAYQUJDFD-GOSISDBHSA-N 0 3 383.492 3.968 20 10 GHCDHN O=[N+]([O-])c1cc(CN(CCCO)Cc2ccccc2)ccc1N1CCCCC1 ZINC000769327412 873968513 /nfs/dbraw/zinc/96/85/13/873968513.db2.gz YOJITYJZFCRWSV-UHFFFAOYSA-N 0 3 383.492 3.970 20 10 GHCDHN CCOc1ccc(C[N@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769529926 874136745 /nfs/dbraw/zinc/13/67/45/874136745.db2.gz IBWRGMPMVNFKLC-QGZVFWFLSA-N 0 3 376.497 3.765 20 10 GHCDHN CCOc1ccc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769529926 874136746 /nfs/dbraw/zinc/13/67/46/874136746.db2.gz IBWRGMPMVNFKLC-QGZVFWFLSA-N 0 3 376.497 3.765 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)ncn4C)cc2F)C[C@@H](C)O1 ZINC001199414016 874976603 /nfs/dbraw/zinc/97/66/03/874976603.db2.gz TXQUVYURPCJLIZ-HZPDHXFCSA-N 0 3 382.483 3.616 20 10 GHCDHN C[C@H](NCc1cc2ccc(F)cc2[nH]c1=O)c1ccc(N2CCOCC2)cc1 ZINC001199843015 875202683 /nfs/dbraw/zinc/20/26/83/875202683.db2.gz MISIKHRRGVYIBI-HNNXBMFYSA-N 0 3 381.451 3.767 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CC(=O)N2CCCc3ccccc32)c1[O-] ZINC000776076181 875308052 /nfs/dbraw/zinc/30/80/52/875308052.db2.gz LGUGUUPNFOVWQC-UHFFFAOYSA-N 0 3 389.293 3.532 20 10 GHCDHN Cc1cc(Br)cc(CNCC(=O)N2CCCc3ccccc32)c1O ZINC000776076181 875308067 /nfs/dbraw/zinc/30/80/67/875308067.db2.gz LGUGUUPNFOVWQC-UHFFFAOYSA-N 0 3 389.293 3.532 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1[O-] ZINC000858241964 882970121 /nfs/dbraw/zinc/97/01/21/882970121.db2.gz LFKCAPVGDKRDHN-UHFFFAOYSA-N 0 3 379.298 3.934 20 10 GHCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1Cc1ccccc1 ZINC000151865214 876036657 /nfs/dbraw/zinc/03/66/57/876036657.db2.gz YOKGGGMOBMIMBJ-SIKLNZKXSA-N 0 3 390.531 3.525 20 10 GHCDHN Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000786579910 876768533 /nfs/dbraw/zinc/76/85/33/876768533.db2.gz WZIKOBUYJZXVGQ-JOCHJYFZSA-N 0 3 377.484 3.973 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3ccc(OC)c(OC)c3Cl)C2)cc1 ZINC000850345447 876836172 /nfs/dbraw/zinc/83/61/72/876836172.db2.gz AKEARFYRUFNOHO-HNNXBMFYSA-N 0 3 376.884 3.734 20 10 GHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cc(Br)ncc3F)C2)cc1 ZINC000850489662 876967192 /nfs/dbraw/zinc/96/71/92/876967192.db2.gz WIYLIRDYRGXWHT-STQMWFEESA-N 0 3 394.288 3.921 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1csc(Cl)c1 ZINC000786897331 877015251 /nfs/dbraw/zinc/01/52/51/877015251.db2.gz HUGJCDIVNJCBSY-HIFRSBDPSA-N 0 3 377.941 3.954 20 10 GHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1OC ZINC000285505190 912317956 /nfs/dbraw/zinc/31/79/56/912317956.db2.gz CXFPJJPCBDHYHP-MRXNPFEDSA-N 0 3 388.483 3.839 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000776700196 879380138 /nfs/dbraw/zinc/38/01/38/879380138.db2.gz JMBNBUQVNQKFRQ-CYBMUJFWSA-N 0 3 382.382 3.668 20 10 GHCDHN COc1cc(O)c(CN2CC(Cc3cccc(Br)c3)C2)cc1OC ZINC001183346282 912461756 /nfs/dbraw/zinc/46/17/56/912461756.db2.gz VUMLHEGHRXBGNG-UHFFFAOYSA-N 0 3 392.293 3.846 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC2(CCOCC2)O1 ZINC000790932485 880071674 /nfs/dbraw/zinc/07/16/74/880071674.db2.gz RANZHAJROCJXQU-GOSISDBHSA-N 0 3 383.488 3.741 20 10 GHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC ZINC000173346571 881319945 /nfs/dbraw/zinc/31/99/45/881319945.db2.gz RGHNRGMLPRFICQ-QGZVFWFLSA-N 0 3 384.520 3.763 20 10 GHCDHN COc1ccc(C2=NO[C@@H](CNC/C=C\c3ccc(N(C)C)cc3)C2)cc1F ZINC001183618414 912703616 /nfs/dbraw/zinc/70/36/16/912703616.db2.gz HQDAUDBFYHNZLU-PHWHVTFISA-N 0 3 383.467 3.696 20 10 GHCDHN Cn1cc([C@@]2(C[NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])CCCO2)cn1 ZINC000898057178 884572111 /nfs/dbraw/zinc/57/21/11/884572111.db2.gz SZONYDRGWRDFBJ-QHCPKHFHSA-N 0 3 393.487 3.500 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1C ZINC000860699151 884925447 /nfs/dbraw/zinc/92/54/47/884925447.db2.gz CLXDJFIXJOWXSO-QGZVFWFLSA-N 0 3 379.504 3.595 20 10 GHCDHN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])c1ccccc1 ZINC000795848838 912908362 /nfs/dbraw/zinc/90/83/62/912908362.db2.gz AFAPSWZBEQREAA-CXAGYDPISA-N 0 3 391.309 3.991 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC001184115969 913034606 /nfs/dbraw/zinc/03/46/06/913034606.db2.gz QYCYCWOARAUJHJ-OAQYLSRUSA-N 0 3 397.515 3.725 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC001184115969 913034618 /nfs/dbraw/zinc/03/46/18/913034618.db2.gz QYCYCWOARAUJHJ-OAQYLSRUSA-N 0 3 397.515 3.725 20 10 GHCDHN CCOc1ccc(O)c(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000809686733 887706164 /nfs/dbraw/zinc/70/61/64/887706164.db2.gz JOMICEWAIAGEKQ-NRFANRHFSA-N 0 3 396.531 3.894 20 10 GHCDHN Cn1nccc1C1=CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000809690398 887707692 /nfs/dbraw/zinc/70/76/92/887707692.db2.gz PNNMTENLRFMVGF-UHFFFAOYSA-N 0 3 375.472 3.994 20 10 GHCDHN Cn1nccc1C1=CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000809690398 887707707 /nfs/dbraw/zinc/70/77/07/887707707.db2.gz PNNMTENLRFMVGF-UHFFFAOYSA-N 0 3 375.472 3.994 20 10 GHCDHN COCCC[N@H+](Cc1ccncc1)Cc1cc(Br)cc(C)c1[O-] ZINC000809740597 887775469 /nfs/dbraw/zinc/77/54/69/887775469.db2.gz GDNPTUJBTGDGBC-UHFFFAOYSA-N 0 3 379.298 3.897 20 10 GHCDHN COCCC[N@@H+](Cc1ccncc1)Cc1cc(Br)cc(C)c1[O-] ZINC000809740597 887775473 /nfs/dbraw/zinc/77/54/73/887775473.db2.gz GDNPTUJBTGDGBC-UHFFFAOYSA-N 0 3 379.298 3.897 20 10 GHCDHN OCCCN(Cc1ccccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809745815 887781539 /nfs/dbraw/zinc/78/15/39/887781539.db2.gz GBFBDJSUFQZUGE-UHFFFAOYSA-N 0 3 378.472 3.751 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCCN(CC(F)F)CC1 ZINC000809755809 887798051 /nfs/dbraw/zinc/79/80/51/887798051.db2.gz CKYBGPUNBWFIGV-UHFFFAOYSA-N 0 3 376.447 3.744 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2COc3c(C)cccc3C2)c1[O-] ZINC000810178015 888260291 /nfs/dbraw/zinc/26/02/91/888260291.db2.gz IBBPGWQJVLMYDD-HNNXBMFYSA-N 0 3 378.266 3.565 20 10 GHCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1OC ZINC000810254340 888358526 /nfs/dbraw/zinc/35/85/26/888358526.db2.gz BRDSCJAVZZDCPE-XNVILDLWSA-N 0 3 389.467 3.680 20 10 GHCDHN COC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1 ZINC000812840443 891027221 /nfs/dbraw/zinc/02/72/21/891027221.db2.gz CTALQGDZTOAZQQ-NRFANRHFSA-N 0 3 376.447 3.920 20 10 GHCDHN CCCC(=O)Nc1ccc(CNCc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000873014491 891428323 /nfs/dbraw/zinc/42/83/23/891428323.db2.gz RLKKTSWJWNCOGN-UHFFFAOYSA-N 0 3 392.503 3.968 20 10 GHCDHN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(CN2CCCC2)c1 ZINC000139286616 891628188 /nfs/dbraw/zinc/62/81/88/891628188.db2.gz HMIPREZEUFTONO-UHFFFAOYSA-N 0 3 395.572 3.766 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C3CCOCC3)cc2)N(C)C)cc1 ZINC001134686686 893201478 /nfs/dbraw/zinc/20/14/78/893201478.db2.gz SANUZOGROJISIR-HSZRJFAPSA-N 0 3 395.547 3.679 20 10 GHCDHN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825887582 893232713 /nfs/dbraw/zinc/23/27/13/893232713.db2.gz VIVGFIPSOLGHDH-DZGCQCFKSA-N 0 3 375.431 3.691 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CCCc2ccc(F)c(F)c2)N(C)C)cc1 ZINC001134881793 893503988 /nfs/dbraw/zinc/50/39/88/893503988.db2.gz HNSRPRMUIXHKCS-NRFANRHFSA-N 0 3 389.490 3.773 20 10 GHCDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000817402484 895582013 /nfs/dbraw/zinc/58/20/13/895582013.db2.gz USFDZPFNCXTOCP-LJQANCHMSA-N 0 3 379.464 3.593 20 10 GHCDHN Cc1cc(CC(=O)Nc2ccnn2CCN(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000818936971 896283563 /nfs/dbraw/zinc/28/35/63/896283563.db2.gz DHSKEVYAZIDTNO-UHFFFAOYSA-N 0 3 399.926 3.687 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819896542 897038271 /nfs/dbraw/zinc/03/82/71/897038271.db2.gz HSNVSVKUAYTVHJ-HNNXBMFYSA-N 0 3 387.281 3.737 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819896542 897038284 /nfs/dbraw/zinc/03/82/84/897038284.db2.gz HSNVSVKUAYTVHJ-HNNXBMFYSA-N 0 3 387.281 3.737 20 10 GHCDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000820496362 897361518 /nfs/dbraw/zinc/36/15/18/897361518.db2.gz HUELOULUPTTZAC-LJQANCHMSA-N 0 3 379.464 3.586 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H]3CCCOc4ccccc43)cc2F)CC1 ZINC000155293522 898572082 /nfs/dbraw/zinc/57/20/82/898572082.db2.gz FNXVOIGOEAYOCQ-OAQYLSRUSA-N 0 3 383.511 3.971 20 10 GHCDHN COc1ccc(-n2cc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cn2)cc1 ZINC000823730576 899226724 /nfs/dbraw/zinc/22/67/24/899226724.db2.gz XRGOEWVMRQEIHC-SFHVURJKSA-N 0 3 392.503 3.568 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(N2CCOCC2)cc1 ZINC000823730094 899228147 /nfs/dbraw/zinc/22/81/47/899228147.db2.gz QSWULEPRXNMEHN-SFHVURJKSA-N 0 3 382.504 3.925 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000824893342 899863945 /nfs/dbraw/zinc/86/39/45/899863945.db2.gz QGNJCKBTYNZQTN-CVEARBPZSA-N 0 3 396.325 3.944 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000824893342 899863955 /nfs/dbraw/zinc/86/39/55/899863955.db2.gz QGNJCKBTYNZQTN-CVEARBPZSA-N 0 3 396.325 3.944 20 10 GHCDHN COC(=O)c1ccc(CNCc2ccc(N3CCSCC3)cc2)cc1Cl ZINC000825125004 899993917 /nfs/dbraw/zinc/99/39/17/899993917.db2.gz CDVOHMLLPBPMTD-UHFFFAOYSA-N 0 3 390.936 3.970 20 10 GHCDHN CN(C)Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000047505696 902090898 /nfs/dbraw/zinc/09/08/98/902090898.db2.gz MMFHKPPBFCAUON-HXUWFJFHSA-N 0 3 383.492 3.667 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c1[O-] ZINC000846039260 902624200 /nfs/dbraw/zinc/62/42/00/902624200.db2.gz QBVIJWLAEYVWHR-KPZWWZAWSA-N 0 3 380.282 3.549 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000846113960 902690608 /nfs/dbraw/zinc/69/06/08/902690608.db2.gz RGSPQIVFVIPSAX-HBFSDRIKSA-N 0 3 390.524 3.819 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000846113960 902690612 /nfs/dbraw/zinc/69/06/12/902690612.db2.gz RGSPQIVFVIPSAX-HBFSDRIKSA-N 0 3 390.524 3.819 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1[O-] ZINC000779001721 902719315 /nfs/dbraw/zinc/71/93/15/902719315.db2.gz DTIHQCUERFIARS-GFCCVEGCSA-N 0 3 381.314 3.515 20 10 GHCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1O ZINC000846163286 902735174 /nfs/dbraw/zinc/73/51/74/902735174.db2.gz HDSMQSRQKQDMDL-IUODEOHRSA-N 0 3 394.393 3.876 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1[O-] ZINC000779016680 902873599 /nfs/dbraw/zinc/87/35/99/902873599.db2.gz CQPWZFLNPAIXFI-GFCCVEGCSA-N 0 3 378.270 3.538 20 10 GHCDHN O=C1C[C@H](NC2CCOCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000846703466 903150662 /nfs/dbraw/zinc/15/06/62/903150662.db2.gz OCJFIABPQXESSV-IBGZPJMESA-N 0 3 378.432 3.503 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1[O-] ZINC000779030892 903202943 /nfs/dbraw/zinc/20/29/43/903202943.db2.gz YNPPRYWHCQFDAM-BBRMVZONSA-N 0 3 395.341 3.905 20 10 GHCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-] ZINC000151530753 904150831 /nfs/dbraw/zinc/15/08/31/904150831.db2.gz UXLJYKPFOWUQTA-OAHLLOKOSA-N 0 3 387.455 3.854 20 10 GHCDHN COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCO2)c1 ZINC000092511361 911586757 /nfs/dbraw/zinc/58/67/57/911586757.db2.gz DKFPEMCJJFALLK-DEOSSOPVSA-N 0 3 396.531 3.713 20 10 GHCDHN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483816 911790372 /nfs/dbraw/zinc/79/03/72/911790372.db2.gz LZTNLHZWRBLBEU-IXDOHACOSA-N 0 3 399.535 3.686 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1[O-] ZINC001182998705 912185710 /nfs/dbraw/zinc/18/57/10/912185710.db2.gz ANWHPMYSLULZNQ-GOSISDBHSA-N 0 3 375.310 3.827 20 10 GHCDHN CC(C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775258624 916691001 /nfs/dbraw/zinc/69/10/01/916691001.db2.gz GVXDKCNARHWBIG-YADARESESA-N 0 3 395.547 3.687 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(Cc2ccccc2)CC(F)(F)F)c1 ZINC000775372725 917251193 /nfs/dbraw/zinc/25/11/93/917251193.db2.gz HGJGUSIAKPIFAQ-CQSZACIVSA-N 0 3 396.409 3.643 20 10 GHCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccnn1CCN(C)C ZINC000901328026 921018325 /nfs/dbraw/zinc/01/83/25/921018325.db2.gz ANCRUMSBEZPDER-SFHVURJKSA-N 0 3 392.503 3.554 20 10 GHCDHN CN(C)C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000802187664 921889977 /nfs/dbraw/zinc/88/99/77/921889977.db2.gz OSISXZQYKKJGGY-OAQYLSRUSA-N 0 3 398.938 3.818 20 10 GHCDHN CN(C)C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000802187663 921890154 /nfs/dbraw/zinc/89/01/54/921890154.db2.gz OSISXZQYKKJGGY-NRFANRHFSA-N 0 3 398.938 3.818 20 10 GHCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(-n2ccnc2)c1 ZINC000903017590 922714061 /nfs/dbraw/zinc/71/40/61/922714061.db2.gz WCHVBODPMSUYPS-MRXNPFEDSA-N 0 3 398.457 3.838 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(c3ccccc3)CC(O)(C(F)(F)F)C1)CC2 ZINC000903399916 922991114 /nfs/dbraw/zinc/99/11/14/922991114.db2.gz QERFPUFBWGFNBD-DZIBYMRMSA-N 0 3 377.406 3.994 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c2c1c(F)ccc2[O-] ZINC000903425375 923016709 /nfs/dbraw/zinc/01/67/09/923016709.db2.gz BWEQHXNGOFXXOP-YVEFUNNKSA-N 0 3 390.480 3.774 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827376649 925385166 /nfs/dbraw/zinc/38/51/66/925385166.db2.gz GPEYTMDRCZGLOY-XJKSGUPXSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1[O-] ZINC000827376649 925385174 /nfs/dbraw/zinc/38/51/74/925385174.db2.gz GPEYTMDRCZGLOY-XJKSGUPXSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])ccc1OCCO ZINC000725847317 926466196 /nfs/dbraw/zinc/46/61/96/926466196.db2.gz GUGVFOWQHMGKBB-UHFFFAOYSA-N 0 3 379.456 3.729 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000753569425 929424134 /nfs/dbraw/zinc/42/41/34/929424134.db2.gz DWJSUNMZGMUHTG-GMAHTHKFSA-N 0 3 393.483 3.545 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1[O-] ZINC000759162533 930295545 /nfs/dbraw/zinc/29/55/45/930295545.db2.gz YBSIZEDYPQSNNW-FQEVSTJZSA-N 0 3 379.460 3.711 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1[O-] ZINC000759162533 930295548 /nfs/dbraw/zinc/29/55/48/930295548.db2.gz YBSIZEDYPQSNNW-FQEVSTJZSA-N 0 3 379.460 3.711 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000781570061 930891272 /nfs/dbraw/zinc/89/12/72/930891272.db2.gz UYEXEFUVUGTBHM-LJQANCHMSA-N 0 3 396.512 3.952 20 10 GHCDHN O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000781570061 930891273 /nfs/dbraw/zinc/89/12/73/930891273.db2.gz UYEXEFUVUGTBHM-LJQANCHMSA-N 0 3 396.512 3.952 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1O ZINC000783719155 931629093 /nfs/dbraw/zinc/62/90/93/931629093.db2.gz GPZJQOOMWJHCEZ-UHFFFAOYSA-N 0 3 384.904 3.933 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(C(F)(F)F)c3)C1)[C@H](O)CO2 ZINC000784027907 931760901 /nfs/dbraw/zinc/76/09/01/931760901.db2.gz VTDZPBORECBZQX-SCLBCKFNSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(C(F)(F)F)c3)C1)[C@H](O)CO2 ZINC000784027907 931760906 /nfs/dbraw/zinc/76/09/06/931760906.db2.gz VTDZPBORECBZQX-SCLBCKFNSA-N 0 3 379.378 3.826 20 10 GHCDHN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C2 ZINC000784625169 931961367 /nfs/dbraw/zinc/96/13/67/931961367.db2.gz CZWHYVWOZHKSTE-MRXNPFEDSA-N 0 3 392.293 3.819 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]CCc2ccc(F)c(F)c2F)c1[O-] ZINC000784630867 931963334 /nfs/dbraw/zinc/96/33/34/931963334.db2.gz RYVBSWMCQMPNPT-UHFFFAOYSA-N 0 3 390.199 3.913 20 10 GHCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C(C)(C)O)cc1 ZINC000926559664 932228263 /nfs/dbraw/zinc/22/82/63/932228263.db2.gz OJDLJLVOFIJOKX-HNNXBMFYSA-N 0 3 390.474 3.880 20 10 GHCDHN Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000798492351 932670890 /nfs/dbraw/zinc/67/08/90/932670890.db2.gz CLYCUKAUKZGYPH-LJQANCHMSA-N 0 3 376.932 3.886 20 10 GHCDHN CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001227357728 1032386873 /nfs/dbraw/zinc/38/68/73/1032386873.db2.gz XMVIFHCTSWRYMG-QHCPKHFHSA-N 0 3 394.563 3.867 20 10 GHCDHN C[C@H]([NH2+]C1(CNC(=O)NCc2c([O-])cccc2F)CCCC1)c1ccccc1 ZINC001227823821 1032633731 /nfs/dbraw/zinc/63/37/31/1032633731.db2.gz BCZIOCKJVIZCEV-INIZCTEOSA-N 0 3 385.483 3.994 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1[O-] ZINC000779009971 1020190714 /nfs/dbraw/zinc/19/07/14/1020190714.db2.gz AAXSBRWJIQVXKK-DOMZBBRYSA-N 0 3 398.272 3.693 20 10 GHCDHN O=C(c1ccccc1Cl)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000902664957 1021529418 /nfs/dbraw/zinc/52/94/18/1021529418.db2.gz OZRQLKRUKRVNFJ-IBGZPJMESA-N 0 3 387.863 3.566 20 10 GHCDHN Cc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 ZINC001140623802 1022098481 /nfs/dbraw/zinc/09/84/81/1022098481.db2.gz SGOKHQDYECPLHE-CABCVRRESA-N 0 3 388.430 3.978 20 10 GHCDHN CN(c1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1)C1CCCCC1 ZINC000827820757 1022349848 /nfs/dbraw/zinc/34/98/48/1022349848.db2.gz DBFKTWCWVJDEGM-YZUZCNPQSA-N 0 3 399.579 3.604 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000725846180 1022387739 /nfs/dbraw/zinc/38/77/39/1022387739.db2.gz ZVTSWTWQBRPNKF-UHFFFAOYSA-N 0 3 396.409 3.546 20 10 GHCDHN COc1cccc(O)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000725846180 1022387753 /nfs/dbraw/zinc/38/77/53/1022387753.db2.gz ZVTSWTWQBRPNKF-UHFFFAOYSA-N 0 3 396.409 3.546 20 10 GHCDHN COc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)c([O-])c1 ZINC000725846102 1022387939 /nfs/dbraw/zinc/38/79/39/1022387939.db2.gz UKFUTCFCHPCCFO-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(CCC[N@H+](Cc4ccc(C)cc4[O-])C3)C2=O)cc1 ZINC001140952428 1022981325 /nfs/dbraw/zinc/98/13/25/1022981325.db2.gz ROKIPGGPJIRAQG-XMMPIXPASA-N 0 3 394.515 3.724 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(CCC[N@@H+](Cc4ccc(C)cc4[O-])C3)C2=O)cc1 ZINC001140952428 1022981328 /nfs/dbraw/zinc/98/13/28/1022981328.db2.gz ROKIPGGPJIRAQG-XMMPIXPASA-N 0 3 394.515 3.724 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)c(OC)c1 ZINC001141034948 1023326326 /nfs/dbraw/zinc/32/63/26/1023326326.db2.gz WNVXRIICMOCNNR-SFHVURJKSA-N 0 3 383.488 3.948 20 10 GHCDHN Cc1cncnc1O[C@@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078709 1023445452 /nfs/dbraw/zinc/44/54/52/1023445452.db2.gz FUIVLPWDASHUHY-OAQYLSRUSA-N 0 3 378.520 3.527 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000756031835 1023485765 /nfs/dbraw/zinc/48/57/65/1023485765.db2.gz BREZVWIOLDWPDH-BSNNYGBQSA-N 0 3 398.322 3.752 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756344343 1023598275 /nfs/dbraw/zinc/59/82/75/1023598275.db2.gz QBUHCGQWELXINT-YOEHRIQHSA-N 0 3 379.957 3.746 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2ccc(N(C)C)cc2)cc1 ZINC000756362765 1023608407 /nfs/dbraw/zinc/60/84/07/1023608407.db2.gz LMIPGUOIXCUIKX-YADHBBJMSA-N 0 3 386.561 3.936 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756605073 1023733421 /nfs/dbraw/zinc/73/34/21/1023733421.db2.gz QGRIOBIGROOESE-LQJIQPLVSA-N 0 3 384.495 3.552 20 10 GHCDHN COc1ccc2nc(NCc3ccc(N4CCN(C)CC4)cc3)cc(C)c2c1 ZINC001156656042 1033159307 /nfs/dbraw/zinc/15/93/07/1033159307.db2.gz MWMUFWHVQQTCFK-UHFFFAOYSA-N 0 3 376.504 3.916 20 10 GHCDHN Cc1c(CN2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c2ccccc2n1C ZINC001138253995 1024475293 /nfs/dbraw/zinc/47/52/93/1024475293.db2.gz NELIKKJCPPOFDN-GOSISDBHSA-N 0 3 378.520 3.759 20 10 GHCDHN C[C@@]1(c2ccc(F)cc2)CN(Cc2cc3c4c(c2O)CCCN4CCC3)CCO1 ZINC001138339128 1024701452 /nfs/dbraw/zinc/70/14/52/1024701452.db2.gz AODJFGKNOFMXSD-DEOSSOPVSA-N 0 3 396.506 3.978 20 10 GHCDHN COCCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139673831 1026528509 /nfs/dbraw/zinc/52/85/09/1026528509.db2.gz LDSACCXERLZSPK-IBGZPJMESA-N 0 3 391.556 3.519 20 10 GHCDHN O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140053989 1026833598 /nfs/dbraw/zinc/83/35/98/1026833598.db2.gz HLNRGDUFMZAAHZ-QFIPXVFZSA-N 0 3 386.442 3.685 20 10 GHCDHN O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140053989 1026833606 /nfs/dbraw/zinc/83/36/06/1026833606.db2.gz HLNRGDUFMZAAHZ-QFIPXVFZSA-N 0 3 386.442 3.685 20 10 GHCDHN CC[C@@H]1[C@@H](NCc2cc(F)c(N(C)C)cc2F)CCN1C(=O)OC(C)(C)C ZINC001203173737 1027223436 /nfs/dbraw/zinc/22/34/36/1027223436.db2.gz CKDFQUYEVSXXSO-DLBZAZTESA-N 0 3 383.483 3.908 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(Br)c3)C1)[C@@H](O)CO2 ZINC000840123301 1027245558 /nfs/dbraw/zinc/24/55/58/1027245558.db2.gz HOHHHLLGDVHWPU-ACJLOTCBSA-N 0 3 390.277 3.570 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(Br)c3)C1)[C@@H](O)CO2 ZINC000840123301 1027245577 /nfs/dbraw/zinc/24/55/77/1027245577.db2.gz HOHHHLLGDVHWPU-ACJLOTCBSA-N 0 3 390.277 3.570 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@]2(C(F)(F)F)C1 ZINC001203549870 1027427887 /nfs/dbraw/zinc/42/78/87/1027427887.db2.gz AIAPIRGDWUCTKK-RDTXWAMCSA-N 0 3 386.414 3.623 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@]2(C(F)(F)F)C1 ZINC001203549870 1027427897 /nfs/dbraw/zinc/42/78/97/1027427897.db2.gz AIAPIRGDWUCTKK-RDTXWAMCSA-N 0 3 386.414 3.623 20 10 GHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c1[O-] ZINC001203602307 1027466787 /nfs/dbraw/zinc/46/67/87/1027466787.db2.gz OGSGIDXZMMGGSG-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c1[O-] ZINC001203602307 1027466794 /nfs/dbraw/zinc/46/67/94/1027466794.db2.gz OGSGIDXZMMGGSG-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+](CC)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203615342 1027478133 /nfs/dbraw/zinc/47/81/33/1027478133.db2.gz RHVFSECTMFAKBN-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1cccc(C[N@@H+](CC)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203615342 1027478147 /nfs/dbraw/zinc/47/81/47/1027478147.db2.gz RHVFSECTMFAKBN-MRXNPFEDSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1cccc(CN2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1O ZINC001203617693 1027479958 /nfs/dbraw/zinc/47/99/58/1027479958.db2.gz UUSVBDJRIHJVCN-UHFFFAOYSA-N 0 3 390.487 3.570 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c([O-])c1 ZINC001203622835 1027483901 /nfs/dbraw/zinc/48/39/01/1027483901.db2.gz CHIVESXMBXPISN-UHFFFAOYSA-N 0 3 398.478 3.697 20 10 GHCDHN O=C(c1ccsc1)N1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203876965 1027675884 /nfs/dbraw/zinc/67/58/84/1027675884.db2.gz AMWHAHSCYGWLGX-UHFFFAOYSA-N 0 3 386.517 3.678 20 10 GHCDHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203879629 1027677471 /nfs/dbraw/zinc/67/74/71/1027677471.db2.gz VMMMWYDOXWMRLK-QFIPXVFZSA-N 0 3 392.499 3.674 20 10 GHCDHN CCN(CC)c1ccc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001203940526 1027735285 /nfs/dbraw/zinc/73/52/85/1027735285.db2.gz ONSVODVFVBJIBC-VABKMULXSA-N 0 3 381.520 3.739 20 10 GHCDHN Cc1nc(CN2CCC(C[NH2+]Cc3c([O-])cc(C)cc3Cl)CC2)oc1C ZINC000840895924 1027930209 /nfs/dbraw/zinc/93/02/09/1027930209.db2.gz ATVIAXZKDBKDGN-UHFFFAOYSA-N 0 3 377.916 3.961 20 10 GHCDHN [O-]c1ccccc1C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000840978652 1028017070 /nfs/dbraw/zinc/01/70/70/1028017070.db2.gz QWWIKJFRBBKYBV-UHFFFAOYSA-N 0 3 375.310 3.909 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@@H]2COc3cccc(Br)c3C2)cc1F ZINC001461701634 1069688482 /nfs/dbraw/zinc/68/84/82/1069688482.db2.gz IANPWEXTVBQLQY-LBPRGKRZSA-N 0 3 397.263 3.887 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001223803741 1030759159 /nfs/dbraw/zinc/75/91/59/1030759159.db2.gz VIKZYQRORNJNEO-FGZHOGPDSA-N 0 3 398.551 3.814 20 10 GHCDHN CC[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001277067173 1031565945 /nfs/dbraw/zinc/56/59/45/1031565945.db2.gz VFIIKKYNXZBLSY-CJNGLKHVSA-N 0 3 380.916 3.571 20 10 GHCDHN CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001277067173 1031565961 /nfs/dbraw/zinc/56/59/61/1031565961.db2.gz VFIIKKYNXZBLSY-CJNGLKHVSA-N 0 3 380.916 3.571 20 10 GHCDHN C[C@@H]1CC[C@](CO)(NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC001461822179 1069771808 /nfs/dbraw/zinc/77/18/08/1069771808.db2.gz UCPNUHRGTIYPIB-UZUQRXQVSA-N 0 3 384.495 3.537 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](c2ccccc2)C(F)F)N(C)C)cc1 ZINC001205470336 1033427039 /nfs/dbraw/zinc/42/70/39/1033427039.db2.gz OFOJXTKQHVNPKW-OALUTQOASA-N 0 3 390.478 3.661 20 10 GHCDHN C[C@@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1Cc1ccccc1 ZINC001229587235 1033575206 /nfs/dbraw/zinc/57/52/06/1033575206.db2.gz AESLGLMLKSLKPK-VGSWGCGISA-N 0 3 393.531 3.733 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001231586582 1034737409 /nfs/dbraw/zinc/73/74/09/1034737409.db2.gz DQTDAMBACGQOJJ-UHFFFAOYSA-N 0 3 389.499 3.812 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001231587895 1034741920 /nfs/dbraw/zinc/74/19/20/1034741920.db2.gz OQLKKDXRXLDENQ-FRGLQRNOSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001231587895 1034741936 /nfs/dbraw/zinc/74/19/36/1034741936.db2.gz OQLKKDXRXLDENQ-FRGLQRNOSA-N 0 3 390.483 3.999 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1cc(Cl)nc2nc[nH]c21)c1ccccc1O ZINC001160618705 1035017923 /nfs/dbraw/zinc/01/79/23/1035017923.db2.gz HSYNILSVEFCLKX-QZTJIDSGSA-N 0 3 395.850 3.876 20 10 GHCDHN c1cncc(COc2ccc(N3CCN(CCCc4ccncc4)CC3)cc2)c1 ZINC001209192174 1035205337 /nfs/dbraw/zinc/20/53/37/1035205337.db2.gz YKFAOJFVZLPKBQ-UHFFFAOYSA-N 0 3 388.515 3.810 20 10 GHCDHN COc1cc(I)cc(CN2CCCCC[C@@H]2C)c1O ZINC001248396387 1035808416 /nfs/dbraw/zinc/80/84/16/1035808416.db2.gz OPUUPHJIIOCFLD-NSHDSACASA-N 0 3 375.250 3.770 20 10 GHCDHN Cc1cc(Br)cc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC001462227235 1070101363 /nfs/dbraw/zinc/10/13/63/1070101363.db2.gz OXWWYZZYDKJWTQ-IBGZPJMESA-N 0 3 389.337 3.822 20 10 GHCDHN CN(C)c1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(O)c1 ZINC001232841301 1038592238 /nfs/dbraw/zinc/59/22/38/1038592238.db2.gz BMQJHOIICXANQP-UHFFFAOYSA-N 0 3 395.425 3.679 20 10 GHCDHN Cc1cccc(O[C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233111429 1038902022 /nfs/dbraw/zinc/90/20/22/1038902022.db2.gz NHIVFBUDOQZGJE-INIZCTEOSA-N 0 3 377.282 3.820 20 10 GHCDHN COc1cc([O-])c(CN2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC001233135210 1038916825 /nfs/dbraw/zinc/91/68/25/1038916825.db2.gz OQSAGTLDDDTQGH-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN COC(=O)N1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC001233194479 1038961120 /nfs/dbraw/zinc/96/11/20/1038961120.db2.gz VQCUNPKRYZJUQD-UHFFFAOYSA-N 0 3 393.281 3.582 20 10 GHCDHN COC(=O)N1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC001233194479 1038961121 /nfs/dbraw/zinc/96/11/21/1038961121.db2.gz VQCUNPKRYZJUQD-UHFFFAOYSA-N 0 3 393.281 3.582 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233195442 1038961398 /nfs/dbraw/zinc/96/13/98/1038961398.db2.gz ITGRJGFFOVGNCA-OAHLLOKOSA-N 0 3 387.281 3.737 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233195442 1038961402 /nfs/dbraw/zinc/96/14/02/1038961402.db2.gz ITGRJGFFOVGNCA-OAHLLOKOSA-N 0 3 387.281 3.737 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC12CC2 ZINC001233198220 1038963165 /nfs/dbraw/zinc/96/31/65/1038963165.db2.gz AACKKAKVCJXLKW-INIZCTEOSA-N 0 3 390.277 3.693 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC12CC2 ZINC001233198220 1038963173 /nfs/dbraw/zinc/96/31/73/1038963173.db2.gz AACKKAKVCJXLKW-INIZCTEOSA-N 0 3 390.277 3.693 20 10 GHCDHN CC(C)(C)c1ccc(O)c(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001233284728 1039061112 /nfs/dbraw/zinc/06/11/12/1039061112.db2.gz FTNLWVIXSGVIQO-SFHVURJKSA-N 0 3 383.536 3.945 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334831 1039134267 /nfs/dbraw/zinc/13/42/67/1039134267.db2.gz VQVSWIGFIGTOTO-OXFYSEKESA-N 0 3 387.474 3.798 20 10 GHCDHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334831 1039134275 /nfs/dbraw/zinc/13/42/75/1039134275.db2.gz VQVSWIGFIGTOTO-OXFYSEKESA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334831 1039134283 /nfs/dbraw/zinc/13/42/83/1039134283.db2.gz VQVSWIGFIGTOTO-OXFYSEKESA-N 0 3 387.474 3.798 20 10 GHCDHN C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233334831 1039134300 /nfs/dbraw/zinc/13/43/00/1039134300.db2.gz VQVSWIGFIGTOTO-OXFYSEKESA-N 0 3 387.474 3.798 20 10 GHCDHN [O-]c1c(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233418361 1039280511 /nfs/dbraw/zinc/28/05/11/1039280511.db2.gz DAELLXXBNCTJKW-ROUUACIJSA-N 0 3 376.422 3.975 20 10 GHCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)c1cccnc1 ZINC001234996413 1040489757 /nfs/dbraw/zinc/48/97/57/1040489757.db2.gz CJVMACZGJMGHDP-OAQYLSRUSA-N 0 3 387.483 3.849 20 10 GHCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)c1cccnc1 ZINC001234996413 1040489767 /nfs/dbraw/zinc/48/97/67/1040489767.db2.gz CJVMACZGJMGHDP-OAQYLSRUSA-N 0 3 387.483 3.849 20 10 GHCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)C1CCOCC1 ZINC001234998670 1040492583 /nfs/dbraw/zinc/49/25/83/1040492583.db2.gz LTCYNXGZSHDXTM-OAQYLSRUSA-N 0 3 394.515 3.566 20 10 GHCDHN O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1)C1CCOCC1 ZINC001234998670 1040492591 /nfs/dbraw/zinc/49/25/91/1040492591.db2.gz LTCYNXGZSHDXTM-OAQYLSRUSA-N 0 3 394.515 3.566 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(C(C)(C)C)cc2[O-])n1 ZINC001235682196 1041146440 /nfs/dbraw/zinc/14/64/40/1041146440.db2.gz OZTHWEBQGNGTRJ-LEWJYISDSA-N 0 3 393.531 3.769 20 10 GHCDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(C(C)(C)C)cc2[O-])n1 ZINC001235682196 1041146454 /nfs/dbraw/zinc/14/64/54/1041146454.db2.gz OZTHWEBQGNGTRJ-LEWJYISDSA-N 0 3 393.531 3.769 20 10 GHCDHN CCc1ccc(CN2CCN[C@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235802342 1041310196 /nfs/dbraw/zinc/31/01/96/1041310196.db2.gz ZKTZMWAMVYXAIJ-SFHVURJKSA-N 0 3 375.310 3.864 20 10 GHCDHN C[C@@H]1c2c(F)cccc2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236524 1041670451 /nfs/dbraw/zinc/67/04/51/1041670451.db2.gz HKCVFETWYLYTEY-IERDGZPVSA-N 0 3 398.526 3.823 20 10 GHCDHN COc1cc(CN(C)Cc2cc(OC)c(Br)cc2O)cc(OC)c1 ZINC001236747886 1041870458 /nfs/dbraw/zinc/87/04/58/1041870458.db2.gz WNUZEUHHSNVGJN-UHFFFAOYSA-N 0 3 396.281 3.813 20 10 GHCDHN COc1cc(CN2CCC(c3ccncc3)CC2)c(O)cc1Br ZINC001236745418 1041870857 /nfs/dbraw/zinc/87/08/57/1041870857.db2.gz CEMITNJGANHOLY-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c([O-])c1 ZINC001236786657 1041893058 /nfs/dbraw/zinc/89/30/58/1041893058.db2.gz GIUGSTMYBTWJRK-QFIPXVFZSA-N 0 3 386.442 3.862 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c([O-])c1 ZINC001236786657 1041893065 /nfs/dbraw/zinc/89/30/65/1041893065.db2.gz GIUGSTMYBTWJRK-QFIPXVFZSA-N 0 3 386.442 3.862 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001236789508 1041895488 /nfs/dbraw/zinc/89/54/88/1041895488.db2.gz HPIXZNSOIXNKBD-HZPDHXFCSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001236789508 1041895492 /nfs/dbraw/zinc/89/54/92/1041895492.db2.gz HPIXZNSOIXNKBD-HZPDHXFCSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001236791208 1041897084 /nfs/dbraw/zinc/89/70/84/1041897084.db2.gz YJGHPARMFRGSDC-HUUCEWRRSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001236791208 1041897086 /nfs/dbraw/zinc/89/70/86/1041897086.db2.gz YJGHPARMFRGSDC-HUUCEWRRSA-N 0 3 378.303 3.658 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236809092 1041909464 /nfs/dbraw/zinc/90/94/64/1041909464.db2.gz SZVJUJQVBVYUDU-UHFFFAOYSA-N 0 3 378.513 3.788 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001236809092 1041909465 /nfs/dbraw/zinc/90/94/65/1041909465.db2.gz SZVJUJQVBVYUDU-UHFFFAOYSA-N 0 3 378.513 3.788 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236809467 1041909480 /nfs/dbraw/zinc/90/94/80/1041909480.db2.gz RZFJBZXKJHFFPU-XXBNENTESA-N 0 3 382.504 3.923 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001236809467 1041909485 /nfs/dbraw/zinc/90/94/85/1041909485.db2.gz RZFJBZXKJHFFPU-XXBNENTESA-N 0 3 382.504 3.923 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001236809529 1041910509 /nfs/dbraw/zinc/91/05/09/1041910509.db2.gz XIOJPSVSEAYQBH-UHFFFAOYSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001236809529 1041910510 /nfs/dbraw/zinc/91/05/10/1041910510.db2.gz XIOJPSVSEAYQBH-UHFFFAOYSA-N 0 3 376.497 3.685 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001236811267 1041911272 /nfs/dbraw/zinc/91/12/72/1041911272.db2.gz MXJYRKSTLUDLLH-NRFANRHFSA-N 0 3 386.517 3.790 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001236811267 1041911273 /nfs/dbraw/zinc/91/12/73/1041911273.db2.gz MXJYRKSTLUDLLH-NRFANRHFSA-N 0 3 386.517 3.790 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001236811268 1041911464 /nfs/dbraw/zinc/91/14/64/1041911464.db2.gz MXJYRKSTLUDLLH-OAQYLSRUSA-N 0 3 386.517 3.790 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)c([O-])c1 ZINC001236811268 1041911468 /nfs/dbraw/zinc/91/14/68/1041911468.db2.gz MXJYRKSTLUDLLH-OAQYLSRUSA-N 0 3 386.517 3.790 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)c([O-])c1 ZINC001237040581 1042000615 /nfs/dbraw/zinc/00/06/15/1042000615.db2.gz HPJZZAUWRPXWTR-NRFANRHFSA-N 0 3 394.515 3.629 20 10 GHCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114446 1042046653 /nfs/dbraw/zinc/04/66/53/1042046653.db2.gz AEVTVDMJPIWACZ-QGZVFWFLSA-N 0 3 375.387 3.846 20 10 GHCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114446 1042046659 /nfs/dbraw/zinc/04/66/59/1042046659.db2.gz AEVTVDMJPIWACZ-QGZVFWFLSA-N 0 3 375.387 3.846 20 10 GHCDHN O=C1N(CC2CC2)CCC12CCN(Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237126116 1042053936 /nfs/dbraw/zinc/05/39/36/1042053936.db2.gz UQYRNBBKGYWBTJ-UHFFFAOYSA-N 0 3 398.425 3.515 20 10 GHCDHN O=C1N(CC2CC2)CCC12CC[NH+](Cc1c([O-])cccc1OC(F)(F)F)CC2 ZINC001237126116 1042053939 /nfs/dbraw/zinc/05/39/39/1042053939.db2.gz UQYRNBBKGYWBTJ-UHFFFAOYSA-N 0 3 398.425 3.515 20 10 GHCDHN NC(=O)c1ccc(O[C@@H]2CCCN(Cc3cc(C(F)(F)F)ccc3O)C2)cc1 ZINC001237145269 1042063639 /nfs/dbraw/zinc/06/36/39/1042063639.db2.gz YJMWDBDSBHTIQT-QGZVFWFLSA-N 0 3 394.393 3.553 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4c(C)cccc4[O-])C[C@H]2C3)c1 ZINC001237485289 1042228731 /nfs/dbraw/zinc/22/87/31/1042228731.db2.gz GDNARMWPCODGTP-XLIONFOSSA-N 0 3 389.499 3.881 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4c(C)cccc4[O-])C[C@H]2C3)c1 ZINC001237485289 1042228736 /nfs/dbraw/zinc/22/87/36/1042228736.db2.gz GDNARMWPCODGTP-XLIONFOSSA-N 0 3 389.499 3.881 20 10 GHCDHN Cc1nc(COC[C@H]2Cn3nccc3CN(Cc3c(C)cccc3O)C2)cs1 ZINC001237487645 1042230743 /nfs/dbraw/zinc/23/07/43/1042230743.db2.gz CMVIBNYYQPODHQ-QGZVFWFLSA-N 0 3 398.532 3.511 20 10 GHCDHN COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2c(C)cccc2[O-])CC1 ZINC001237489814 1042232398 /nfs/dbraw/zinc/23/23/98/1042232398.db2.gz KYVGYLZMCUZAOP-UHFFFAOYSA-N 0 3 384.520 3.814 20 10 GHCDHN COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2c(C)cccc2[O-])CC1 ZINC001237489814 1042232402 /nfs/dbraw/zinc/23/24/02/1042232402.db2.gz KYVGYLZMCUZAOP-UHFFFAOYSA-N 0 3 384.520 3.814 20 10 GHCDHN COc1ccc(N2CCN(Cc3cccc4nccc(C)c34)CC2)c(OC)c1 ZINC001237638492 1042298680 /nfs/dbraw/zinc/29/86/80/1042298680.db2.gz XKEXDJNYCRKFNP-UHFFFAOYSA-N 0 3 377.488 3.883 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)c1[O-] ZINC001237683696 1042325248 /nfs/dbraw/zinc/32/52/48/1042325248.db2.gz IFPAFAHRKOQCGR-WIYYLYMNSA-N 0 3 394.943 3.640 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)c1[O-] ZINC001237683696 1042325249 /nfs/dbraw/zinc/32/52/49/1042325249.db2.gz IFPAFAHRKOQCGR-WIYYLYMNSA-N 0 3 394.943 3.640 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1[O-] ZINC001238059903 1042478863 /nfs/dbraw/zinc/47/88/63/1042478863.db2.gz FLQXCDDDLKLXMG-NJDAHSKKSA-N 0 3 386.467 3.573 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1[O-] ZINC001238059903 1042478864 /nfs/dbraw/zinc/47/88/64/1042478864.db2.gz FLQXCDDDLKLXMG-NJDAHSKKSA-N 0 3 386.467 3.573 20 10 GHCDHN COCC[N@H+](Cc1cc(F)cc(C)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001238070619 1042481256 /nfs/dbraw/zinc/48/12/56/1042481256.db2.gz NQBTWPTWIAULAG-UHFFFAOYSA-N 0 3 396.503 3.688 20 10 GHCDHN COCC[N@@H+](Cc1cc(F)cc(C)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001238070619 1042481260 /nfs/dbraw/zinc/48/12/60/1042481260.db2.gz NQBTWPTWIAULAG-UHFFFAOYSA-N 0 3 396.503 3.688 20 10 GHCDHN COc1ccc(-n2c(C)cc(C(=O)N(CCN(C)C)Cc3ccco3)c2C)cc1 ZINC001294590857 1044716155 /nfs/dbraw/zinc/71/61/55/1044716155.db2.gz RIKGTFCBZLYUPU-UHFFFAOYSA-N 0 3 395.503 3.900 20 10 GHCDHN Cc1ncsc1CN1C[C@@H]2CCN(Cc3ccc(N(C)C)cc3Cl)[C@@H]2C1 ZINC001279333423 1047771638 /nfs/dbraw/zinc/77/16/38/1047771638.db2.gz AXHNXNXLKPGNPO-QFBILLFUSA-N 0 3 390.984 3.877 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307695712 1049513920 /nfs/dbraw/zinc/51/39/20/1049513920.db2.gz OKXHWPUMZZXCPJ-QWHCGFSZSA-N 0 3 391.418 3.752 20 10 GHCDHN CCCCN(CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1ccccc1O ZINC001307722774 1049535773 /nfs/dbraw/zinc/53/57/73/1049535773.db2.gz ZPQCSTWVKRPYQR-UHFFFAOYSA-N 0 3 383.492 3.959 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)N(C)C)cc1 ZINC001289600257 1049555808 /nfs/dbraw/zinc/55/58/08/1049555808.db2.gz OIPVVKVTASPUTP-SFHVURJKSA-N 0 3 397.416 3.943 20 10 GHCDHN CC(C)COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001289601096 1049556920 /nfs/dbraw/zinc/55/69/20/1049556920.db2.gz ZEKFJZITBAXNBX-QFIPXVFZSA-N 0 3 383.536 3.820 20 10 GHCDHN CCCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289602726 1049558341 /nfs/dbraw/zinc/55/83/41/1049558341.db2.gz WPXRJJHVCNBZMT-NRFANRHFSA-N 0 3 399.535 3.583 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC001308821522 1050106963 /nfs/dbraw/zinc/10/69/63/1050106963.db2.gz RUDKAUVWADISQQ-FQEVSTJZSA-N 0 3 381.447 3.976 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(C3CC3)cc2F)N(C)C)cc1 ZINC001312818203 1052881802 /nfs/dbraw/zinc/88/18/02/1052881802.db2.gz WNHMLSPLRNXWBN-JOCHJYFZSA-N 0 3 398.526 3.871 20 10 GHCDHN CCCN1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001319133993 1055054305 /nfs/dbraw/zinc/05/43/05/1055054305.db2.gz QOPCDOYAEWEKIE-LPHOPBHVSA-N 0 3 395.494 3.638 20 10 GHCDHN Cn1cc(-c2ccc(C[N@@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)cc2)cn1 ZINC001321496659 1056293429 /nfs/dbraw/zinc/29/34/29/1056293429.db2.gz ROBJRMNRTNQCMB-QFIPXVFZSA-N 0 3 377.488 3.974 20 10 GHCDHN Cn1cc(-c2ccc(C[N@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)cc2)cn1 ZINC001321496659 1056293434 /nfs/dbraw/zinc/29/34/34/1056293434.db2.gz ROBJRMNRTNQCMB-QFIPXVFZSA-N 0 3 377.488 3.974 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1[O-] ZINC000848517043 1057144197 /nfs/dbraw/zinc/14/41/97/1057144197.db2.gz AHIMWFPJAGWWGC-HZMBPMFUSA-N 0 3 380.286 3.625 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000848528090 1057150804 /nfs/dbraw/zinc/15/08/04/1057150804.db2.gz KFMKIPFPUHMBGQ-MGPLVRAMSA-N 0 3 386.311 3.783 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1[O-] ZINC000848529005 1057151718 /nfs/dbraw/zinc/15/17/18/1057151718.db2.gz PWHBZFVXCOINKK-HIFRSBDPSA-N 0 3 394.309 3.980 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCCn2ccnc2C)c1[O-] ZINC000848529678 1057152651 /nfs/dbraw/zinc/15/26/51/1057152651.db2.gz PRTCVPUFQGGFDP-LBPRGKRZSA-N 0 3 382.302 3.799 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000848535929 1057157954 /nfs/dbraw/zinc/15/79/54/1057157954.db2.gz MBTMTRZJCCQDPL-BLVKFPJESA-N 0 3 392.293 3.648 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ccncc2OC)c1O ZINC000848548382 1057168907 /nfs/dbraw/zinc/16/89/07/1057168907.db2.gz WKACRUXMAADXNZ-WDEREUQCSA-N 0 3 381.270 3.979 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c1[O-] ZINC000848548040 1057169202 /nfs/dbraw/zinc/16/92/02/1057169202.db2.gz UBKBETIQRMSUMC-BBRMVZONSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1[O-] ZINC000848549073 1057170604 /nfs/dbraw/zinc/17/06/04/1057170604.db2.gz KHWUAIGAXZJTCA-CZUORRHYSA-N 0 3 394.309 3.808 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000848553695 1057175712 /nfs/dbraw/zinc/17/57/12/1057175712.db2.gz OZPUJMSJIUNBKB-WCQYABFASA-N 0 3 398.272 3.729 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc(-c3ccco3)s2)N(C)C)cc1 ZINC001439960507 1058367263 /nfs/dbraw/zinc/36/72/63/1058367263.db2.gz MCDOVRQLQZFJMW-INIZCTEOSA-N 0 3 384.505 3.502 20 10 GHCDHN O=C(NC1CCCCC1)NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001341554332 1060743011 /nfs/dbraw/zinc/74/30/11/1060743011.db2.gz SRXOQDCECDRNDK-UHFFFAOYSA-N 0 3 384.568 3.883 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2c[nH]cc2-c2ccccc2F)N(C)C)cc1 ZINC001456935241 1062923716 /nfs/dbraw/zinc/92/37/16/1062923716.db2.gz RAZXHQUACFINAC-QFIPXVFZSA-N 0 3 394.494 3.920 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cc(F)c(F)cc2F)N(C)C)cc1 ZINC001465603429 1065741850 /nfs/dbraw/zinc/74/18/50/1065741850.db2.gz GUVFETYERKVFLX-SFHVURJKSA-N 0 3 380.414 3.594 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4cccc(O)c43)c2)CC1 ZINC001467305649 1067214568 /nfs/dbraw/zinc/21/45/68/1067214568.db2.gz NWDZVJRVVYJTBJ-UHFFFAOYSA-N 0 3 375.472 3.940 20 10 GHCDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001468349213 1067697505 /nfs/dbraw/zinc/69/75/05/1067697505.db2.gz KHLUITYXNVPSCW-SFHVURJKSA-N 0 3 398.526 3.555 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCOc3ccccc32)N(C)C)cc1 ZINC001468504636 1067754392 /nfs/dbraw/zinc/75/43/92/1067754392.db2.gz OOWRDADGDTYYRX-SFTDATJTSA-N 0 3 396.535 3.568 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)CC1 ZINC000767382753 1068186065 /nfs/dbraw/zinc/18/60/65/1068186065.db2.gz HMEFHPVPPKKNFQ-UHFFFAOYSA-N 0 3 386.427 3.517 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc1 ZINC001469854568 1068429926 /nfs/dbraw/zinc/42/99/26/1068429926.db2.gz SOVJAUHBLRXTMM-RXVVDRJESA-N 0 3 380.536 3.696 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)c(C)n1-c1ccccn1 ZINC001470711459 1072697543 /nfs/dbraw/zinc/69/75/43/1072697543.db2.gz NXUQFHZDWVFCIH-NRFANRHFSA-N 0 3 388.515 3.802 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCCC(F)(F)C2)N(C)C)cc1 ZINC001478691755 1078957817 /nfs/dbraw/zinc/95/78/17/1078957817.db2.gz WQIHFFIRJXUHOD-APWZRJJASA-N 0 3 396.526 3.870 20 10 GHCDHN Cc1cccc(C)c1CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001479532998 1079223976 /nfs/dbraw/zinc/22/39/76/1079223976.db2.gz HHTKQZLSBKXRTA-QFIPXVFZSA-N 0 3 382.552 3.814 20 10 GHCDHN CC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1OCC(=O)N(C)C ZINC001473940256 1074212289 /nfs/dbraw/zinc/21/22/89/1074212289.db2.gz UVHFGQCJZZSDRW-HXUWFJFHSA-N 0 3 382.504 3.720 20 10 GHCDHN Cc1oc(-c2cccs2)nc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC001474249354 1074310215 /nfs/dbraw/zinc/31/02/15/1074310215.db2.gz AVWAFGGMEPPWAP-UHFFFAOYSA-N 0 3 382.533 3.753 20 10 GHCDHN COC(=O)c1c(CN2CCCCC[C@H]2C[C@@H](C)O)c2cc(F)ccc2n1C ZINC001474514682 1074442325 /nfs/dbraw/zinc/44/23/25/1074442325.db2.gz DETYMXGJOOKUBF-ZBFHGGJFSA-N 0 3 376.472 3.620 20 10 GHCDHN CC(C)c1ccc(O)c(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC001474612447 1074484086 /nfs/dbraw/zinc/48/40/86/1074484086.db2.gz INAZZIKUSYDNBC-ISKFKSNPSA-N 0 3 380.532 3.991 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3scnc3c2)N(C)C)cc1 ZINC001476081062 1075081335 /nfs/dbraw/zinc/08/13/35/1075081335.db2.gz NJQIYPYHVZKNKP-GOSISDBHSA-N 0 3 383.521 3.787 20 10 GHCDHN CCOc1ccccc1Oc1ccc(CNCc2cc3c(cc2O)OCO3)cn1 ZINC000725845979 836697643 /nfs/dbraw/zinc/69/76/43/836697643.db2.gz SNCGDBXWNCSEFY-UHFFFAOYSA-N 0 3 394.427 3.997 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)ccc2C(F)(F)F)N(C)C)cc1 ZINC000891249718 839327877 /nfs/dbraw/zinc/32/78/77/839327877.db2.gz VWKKUSFDHUESQG-GOSISDBHSA-N 0 3 395.425 3.510 20 10 GHCDHN C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1c([O-])ccc2ccccc21 ZINC000064942332 839785720 /nfs/dbraw/zinc/78/57/20/839785720.db2.gz LOJMKAJXXYVZEF-UHFFFAOYSA-N 0 3 399.512 3.850 20 10 GHCDHN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1c([O-])ccc2ccccc21 ZINC000064942332 839785730 /nfs/dbraw/zinc/78/57/30/839785730.db2.gz LOJMKAJXXYVZEF-UHFFFAOYSA-N 0 3 399.512 3.850 20 10 GHCDHN COc1cc(N2CCN(CCCc3ccccc3C)CC2)cc(OC)c1OC ZINC000759880131 840318798 /nfs/dbraw/zinc/31/87/98/840318798.db2.gz XOGGRDQWTOXBCY-UHFFFAOYSA-N 0 3 384.520 3.776 20 10 GHCDHN COc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000063560783 840579464 /nfs/dbraw/zinc/57/94/64/840579464.db2.gz XHJMLNIWGADLCY-HDICACEKSA-N 0 3 382.504 3.543 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000157063894 841058062 /nfs/dbraw/zinc/05/80/62/841058062.db2.gz VHHFFBKVPLEONH-QGZVFWFLSA-N 0 3 395.503 3.758 20 10 GHCDHN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162405831 849009808 /nfs/dbraw/zinc/00/98/08/849009808.db2.gz OZUKKGUDBSXALK-SFHVURJKSA-N 0 3 398.526 3.898 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c2c1c(F)ccc2[O-] ZINC000760020264 852020616 /nfs/dbraw/zinc/02/06/16/852020616.db2.gz UQRDALOKFFOEIN-YVWKXTFCSA-N 0 3 384.495 3.960 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c2c1c(F)ccc2[O-] ZINC000760029237 853785495 /nfs/dbraw/zinc/78/54/95/853785495.db2.gz MWHUDEKFKASYNI-HZMBPMFUSA-N 0 3 383.872 3.926 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)c1[O-] ZINC000701908688 856743207 /nfs/dbraw/zinc/74/32/07/856743207.db2.gz RGVAUAFBYCNDOY-UHFFFAOYSA-N 0 3 382.888 3.543 20 10 GHCDHN C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766068107 856794605 /nfs/dbraw/zinc/79/46/05/856794605.db2.gz AIFJOSXDJKBYQR-MRXNPFEDSA-N 0 3 397.910 3.608 20 10 GHCDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765253720 859867679 /nfs/dbraw/zinc/86/76/79/859867679.db2.gz LKLNPXSUDHJVAW-HKUYNNGSSA-N 0 3 381.520 3.556 20 10 GHCDHN C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850651 860005427 /nfs/dbraw/zinc/00/54/27/860005427.db2.gz DOFFCKUAJSIQPV-JLSDUUJJSA-N 0 3 376.497 3.505 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000727441452 860082309 /nfs/dbraw/zinc/08/23/09/860082309.db2.gz YHNZXTAYNOKFSH-QFIPXVFZSA-N 0 3 379.548 3.981 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3CN(C)C)ccc21 ZINC000484970969 860559142 /nfs/dbraw/zinc/55/91/42/860559142.db2.gz RIZRQWPJFVQESM-UHFFFAOYSA-N 0 3 393.531 3.896 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000734217347 864090373 /nfs/dbraw/zinc/09/03/73/864090373.db2.gz GVUHABZRQLBFJW-QHCPKHFHSA-N 0 3 394.563 3.949 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(N4CCC(C)=N4)cc3)c2)CC1 ZINC000184274711 864283561 /nfs/dbraw/zinc/28/35/61/864283561.db2.gz ZBCBHYRGBSLUBW-UHFFFAOYSA-N 0 3 391.519 3.667 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000174373443 865742149 /nfs/dbraw/zinc/74/21/49/865742149.db2.gz SRPJYZUARWQCDD-MRXNPFEDSA-N 0 3 388.483 3.799 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000174373443 865742155 /nfs/dbraw/zinc/74/21/55/865742155.db2.gz SRPJYZUARWQCDD-MRXNPFEDSA-N 0 3 388.483 3.799 20 10 GHCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185297652 865928308 /nfs/dbraw/zinc/92/83/08/865928308.db2.gz CVUGFHUSUNBETK-KRWDZBQOSA-N 0 3 387.549 3.533 20 10 GHCDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1OC ZINC000121304748 865931536 /nfs/dbraw/zinc/93/15/36/865931536.db2.gz ZRSHHTAXEYXWRL-UHFFFAOYSA-N 0 3 390.911 3.826 20 10 GHCDHN COc1ccc(N2CCN(C[C@H](O)Cc3ccc4ccccc4c3)CC2)cc1F ZINC001168067263 865950131 /nfs/dbraw/zinc/95/01/31/865950131.db2.gz HIAVFLMUVZUZCF-JOCHJYFZSA-N 0 3 394.490 3.713 20 10 GHCDHN CC1([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)OCCO1 ZINC000183242894 866433180 /nfs/dbraw/zinc/43/31/80/866433180.db2.gz CHJFVQVQWAKBIZ-HXUWFJFHSA-N 0 3 383.488 3.946 20 10 GHCDHN CC1([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)OCCO1 ZINC000183242894 866433188 /nfs/dbraw/zinc/43/31/88/866433188.db2.gz CHJFVQVQWAKBIZ-HXUWFJFHSA-N 0 3 383.488 3.946 20 10 GHCDHN COc1cc(Cl)cc(CN[C@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330419 867276438 /nfs/dbraw/zinc/27/64/38/867276438.db2.gz AZELKNNHMJRFMF-CQSZACIVSA-N 0 3 375.774 3.896 20 10 GHCDHN COc1ccc(CNCc2cc(OC)ccc2OCc2ccccn2)c(O)c1 ZINC000793388181 882163919 /nfs/dbraw/zinc/16/39/19/882163919.db2.gz OFURJJJJQURCIY-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)c([O-])c1 ZINC000793388181 882163930 /nfs/dbraw/zinc/16/39/30/882163930.db2.gz OFURJJJJQURCIY-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000793558841 882265799 /nfs/dbraw/zinc/26/57/99/882265799.db2.gz IJTJHNJRPVKAIC-JTQLQIEISA-N 0 3 391.386 3.804 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Sc3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000793788803 882411932 /nfs/dbraw/zinc/41/19/32/882411932.db2.gz GMBHSBOMGDIMNS-QAPCUYQASA-N 0 3 377.893 3.838 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Sc3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000793788803 882411936 /nfs/dbraw/zinc/41/19/36/882411936.db2.gz GMBHSBOMGDIMNS-QAPCUYQASA-N 0 3 377.893 3.838 20 10 GHCDHN CC(C)(C)c1nnc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000766892617 872060499 /nfs/dbraw/zinc/06/04/99/872060499.db2.gz UMILWSPPNXKJOC-UHFFFAOYSA-N 0 3 388.537 3.925 20 10 GHCDHN CCN(C(=O)CN[C@@H](C)c1cc(OC)ccc1O)c1nc2ccccc2s1 ZINC000182416909 872336672 /nfs/dbraw/zinc/33/66/72/872336672.db2.gz MKFSKANDTAFZJL-ZDUSSCGKSA-N 0 3 385.489 3.714 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC)c1cccc(Cl)c1)cc2=O ZINC000182591280 872587006 /nfs/dbraw/zinc/58/70/06/872587006.db2.gz VAMOTAKPSLGGMF-MRXNPFEDSA-N 0 3 388.855 3.506 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768439418 873303977 /nfs/dbraw/zinc/30/39/77/873303977.db2.gz LOWLOZYTVDYMEL-BEFAXECRSA-N 0 3 375.852 3.515 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768439418 873303989 /nfs/dbraw/zinc/30/39/89/873303989.db2.gz LOWLOZYTVDYMEL-BEFAXECRSA-N 0 3 375.852 3.515 20 10 GHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768912011 873680227 /nfs/dbraw/zinc/68/02/27/873680227.db2.gz VNPXXIHMWKIMKR-UHFFFAOYSA-N 0 3 392.496 3.732 20 10 GHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768912011 873680233 /nfs/dbraw/zinc/68/02/33/873680233.db2.gz VNPXXIHMWKIMKR-UHFFFAOYSA-N 0 3 392.496 3.732 20 10 GHCDHN CCOc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833873 874319026 /nfs/dbraw/zinc/31/90/26/874319026.db2.gz GVTSKDAQPKZVBI-DLBZAZTESA-N 0 3 399.535 3.688 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1[O-] ZINC000769930943 874374175 /nfs/dbraw/zinc/37/41/75/874374175.db2.gz QSUZCBFUEYDBEQ-FZKQIMNGSA-N 0 3 393.325 3.944 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc([C@H]4CCCOC4)c3)c2)CC1 ZINC000770143558 874493730 /nfs/dbraw/zinc/49/37/30/874493730.db2.gz OAQNJZGVYMVECU-NRFANRHFSA-N 0 3 393.531 3.975 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3OCC3CC3)c2)CC1 ZINC000770146275 874497498 /nfs/dbraw/zinc/49/74/98/874497498.db2.gz GCVNDLQRGJASPP-UHFFFAOYSA-N 0 3 379.504 3.870 20 10 GHCDHN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000770327261 874601804 /nfs/dbraw/zinc/60/18/04/874601804.db2.gz RSBNATKDEKYRSM-DYESRHJHSA-N 0 3 383.496 3.865 20 10 GHCDHN Cc1ncc(CNCc2ccc(N3CCC(CO)CC3)cc2)n1-c1ccccc1 ZINC001199732576 875154116 /nfs/dbraw/zinc/15/41/16/875154116.db2.gz NQBBEWKYJGTCKP-UHFFFAOYSA-N 0 3 390.531 3.679 20 10 GHCDHN COc1ccc(O)c(CNCc2ccc(Oc3c(OC)cccc3OC)nc2)c1 ZINC000776024494 875179823 /nfs/dbraw/zinc/17/98/23/875179823.db2.gz QSEZOMCYHBLEKM-UHFFFAOYSA-N 0 3 396.443 3.895 20 10 GHCDHN COc1cc(OC)cc(OCCCNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001201379689 875665740 /nfs/dbraw/zinc/66/57/40/875665740.db2.gz HAEPVBYBIIZRDZ-UHFFFAOYSA-N 0 3 380.435 3.607 20 10 GHCDHN Cc1cc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)sn1 ZINC001201749875 875840943 /nfs/dbraw/zinc/84/09/43/875840943.db2.gz BTKXRNYPZZFOTB-GOSISDBHSA-N 0 3 390.553 3.873 20 10 GHCDHN Cc1cccc(CNCc2ccc(N3CCN(C)CC3)cc2)c1Br ZINC000786823886 876980200 /nfs/dbraw/zinc/98/02/00/876980200.db2.gz RIRBNYJBCLEOOS-UHFFFAOYSA-N 0 3 388.353 3.799 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000850565178 877030332 /nfs/dbraw/zinc/03/03/32/877030332.db2.gz BXQORSDDWGUVPV-SFHVURJKSA-N 0 3 393.531 3.625 20 10 GHCDHN CCN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCN(CC)C1 ZINC000850607736 877064961 /nfs/dbraw/zinc/06/49/61/877064961.db2.gz QCWZEELSEVVQSV-FQEVSTJZSA-N 0 3 393.491 3.983 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093387534 912234154 /nfs/dbraw/zinc/23/41/54/912234154.db2.gz SPBNFJJJYICUGP-QGZVFWFLSA-N 0 3 392.293 3.645 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093387534 912234174 /nfs/dbraw/zinc/23/41/74/912234174.db2.gz SPBNFJJJYICUGP-QGZVFWFLSA-N 0 3 392.293 3.645 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c([O-])c1 ZINC000237543341 877485696 /nfs/dbraw/zinc/48/56/96/877485696.db2.gz DQYHPUHDMUEOAL-UHFFFAOYSA-N 0 3 386.455 3.938 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1[O-] ZINC000179880172 878159912 /nfs/dbraw/zinc/15/99/12/878159912.db2.gz YXLWJCXVGTZZGR-SUMWQHHRSA-N 0 3 376.403 3.840 20 10 GHCDHN C[C@H]([NH2+]CC1(N)CCCC1)c1cc(Br)cc(Br)c1[O-] ZINC000854221904 879640635 /nfs/dbraw/zinc/64/06/35/879640635.db2.gz ARXQRRKVWZTHJA-VIFPVBQESA-N 0 3 392.135 3.839 20 10 GHCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000858520356 883169167 /nfs/dbraw/zinc/16/91/67/883169167.db2.gz RKRJUWMQKSKSSK-ABAIWWIYSA-N 0 3 378.831 3.649 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000103597066 883287538 /nfs/dbraw/zinc/28/75/38/883287538.db2.gz QPPPBHZXMYCLCU-RHSMWYFYSA-N 0 3 389.521 3.660 20 10 GHCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000806433723 884671698 /nfs/dbraw/zinc/67/16/98/884671698.db2.gz ZJJPNKAAEZTDQN-CVDCTZTESA-N 0 3 392.547 3.749 20 10 GHCDHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c(O)c1O ZINC001170525964 885482318 /nfs/dbraw/zinc/48/23/18/885482318.db2.gz NHMNRWVXXWKFSL-HNNXBMFYSA-N 0 3 383.275 3.746 20 10 GHCDHN CCN(C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C1CCN(C)CC1 ZINC000861891754 885963679 /nfs/dbraw/zinc/96/36/79/885963679.db2.gz JMRRWEPKABYFJJ-UHFFFAOYSA-N 0 3 381.520 3.771 20 10 GHCDHN COCCOc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000915228769 886072527 /nfs/dbraw/zinc/07/25/27/886072527.db2.gz BTSPGLUYSQYRJV-UHFFFAOYSA-N 0 3 399.491 3.900 20 10 GHCDHN CC[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1O ZINC000155051268 886121239 /nfs/dbraw/zinc/12/12/39/886121239.db2.gz NQDCYFITIMJALO-IBGZPJMESA-N 0 3 388.533 3.808 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1[O-] ZINC000155051268 886121252 /nfs/dbraw/zinc/12/12/52/886121252.db2.gz NQDCYFITIMJALO-IBGZPJMESA-N 0 3 388.533 3.808 20 10 GHCDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000762545544 886370566 /nfs/dbraw/zinc/37/05/66/886370566.db2.gz FNYZLDNNLWVUNJ-OAQYLSRUSA-N 0 3 388.515 3.836 20 10 GHCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808678074 886678915 /nfs/dbraw/zinc/67/89/15/886678915.db2.gz KIGWGRHSQMEHOC-AWEZNQCLSA-N 0 3 376.884 3.720 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1[O-] ZINC000808697664 886717580 /nfs/dbraw/zinc/71/75/80/886717580.db2.gz QPYTZSAUMSYPKF-CDXJDZJCSA-N 0 3 388.939 3.888 20 10 GHCDHN COc1cc(Br)cc(CN2CCC(c3cccnc3)CC2)c1O ZINC000809738192 887773047 /nfs/dbraw/zinc/77/30/47/887773047.db2.gz SUWHALDQNFQQQB-UHFFFAOYSA-N 0 3 377.282 3.938 20 10 GHCDHN COc1ccc(Cn2nc(C)c(CNCc3cccc(OC)c3O)c2C)cc1 ZINC000809740172 887775077 /nfs/dbraw/zinc/77/50/77/887775077.db2.gz NPHWCPMLNKVLDK-UHFFFAOYSA-N 0 3 381.476 3.561 20 10 GHCDHN COc1ccc(CNCc2cccc(OC)c2O)c(OCc2cccnc2)c1 ZINC000809739740 887775334 /nfs/dbraw/zinc/77/53/34/887775334.db2.gz CGZYAYFFYGKMBN-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000809793534 887847686 /nfs/dbraw/zinc/84/76/86/887847686.db2.gz YZXSZFAJBGCPKY-NZQKXSOJSA-N 0 3 377.440 3.555 20 10 GHCDHN CCCC[C@H](C)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000810124498 888188514 /nfs/dbraw/zinc/18/85/14/888188514.db2.gz HRHSBSYHRDLBLI-BZSNNMDCSA-N 0 3 393.547 3.566 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000763339405 888513538 /nfs/dbraw/zinc/51/35/38/888513538.db2.gz QQUUWOQVQIEJMT-UTKZUKDTSA-N 0 3 393.531 3.749 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000763339405 888513549 /nfs/dbraw/zinc/51/35/49/888513549.db2.gz QQUUWOQVQIEJMT-UTKZUKDTSA-N 0 3 393.531 3.749 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866534024 888922989 /nfs/dbraw/zinc/92/29/89/888922989.db2.gz YYGSAJQRWBNQBV-ZFWWWQNUSA-N 0 3 384.314 3.699 20 10 GHCDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000868813515 889609762 /nfs/dbraw/zinc/60/97/62/889609762.db2.gz GDPMBQVZEUIYDU-UHFFFAOYSA-N 0 3 378.476 3.812 20 10 GHCDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1Cn1cccn1 ZINC000873008273 891423469 /nfs/dbraw/zinc/42/34/69/891423469.db2.gz QQLABRFVDBCYOI-MRXNPFEDSA-N 0 3 379.460 3.562 20 10 GHCDHN COc1cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000825710743 891963783 /nfs/dbraw/zinc/96/37/83/891963783.db2.gz ZNYZCHGGBVFJHO-SJKOYZFVSA-N 0 3 375.431 3.834 20 10 GHCDHN C[C@@H]1CN(c2ccccc2CNCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000917431388 891992757 /nfs/dbraw/zinc/99/27/57/891992757.db2.gz JGEOULMEVJOVQU-LJQANCHMSA-N 0 3 397.588 3.755 20 10 GHCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(Cl)cc(C)c2O)CC1 ZINC000814179352 892345304 /nfs/dbraw/zinc/34/53/04/892345304.db2.gz RXDHDQSEKLONGI-UHFFFAOYSA-N 0 3 393.940 3.824 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc([C@@H]3CCCOC3)cc2)N(C)C)cc1 ZINC001134686831 893201506 /nfs/dbraw/zinc/20/15/06/893201506.db2.gz XWDWOIRZWHENCB-FYYLOGMGSA-N 0 3 395.547 3.679 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1cc(Br)no1)C1CCCC1 ZINC000878103028 894019653 /nfs/dbraw/zinc/01/96/53/894019653.db2.gz HIEHVWIWWNZJNO-HNNXBMFYSA-N 0 3 381.270 3.621 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1cc(Br)no1)C1CCCC1 ZINC000878103028 894019667 /nfs/dbraw/zinc/01/96/67/894019667.db2.gz HIEHVWIWWNZJNO-HNNXBMFYSA-N 0 3 381.270 3.621 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1cc(Br)no1)C1CCCC1 ZINC000878103030 894020247 /nfs/dbraw/zinc/02/02/47/894020247.db2.gz HIEHVWIWWNZJNO-OAHLLOKOSA-N 0 3 381.270 3.621 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1cc(Br)no1)C1CCCC1 ZINC000878103030 894020268 /nfs/dbraw/zinc/02/02/68/894020268.db2.gz HIEHVWIWWNZJNO-OAHLLOKOSA-N 0 3 381.270 3.621 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC(F)F)c(F)c3)c2)CC1 ZINC000816162157 894533804 /nfs/dbraw/zinc/53/38/04/894533804.db2.gz UZWKHRDKRIAXIN-UHFFFAOYSA-N 0 3 393.409 3.821 20 10 GHCDHN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879652195 895204684 /nfs/dbraw/zinc/20/46/84/895204684.db2.gz WUNJUMWTSZZFIZ-HOTGVXAUSA-N 0 3 383.492 3.552 20 10 GHCDHN C[C@H](NCc1ccccc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119657889 899658744 /nfs/dbraw/zinc/65/87/44/899658744.db2.gz FTZCVANNTOKHLE-KRWDZBQOSA-N 0 3 380.467 3.699 20 10 GHCDHN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824555517 899684610 /nfs/dbraw/zinc/68/46/10/899684610.db2.gz UYQNQPAANVPRCT-LLVKDONJSA-N 0 3 386.208 3.610 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824953496 899905079 /nfs/dbraw/zinc/90/50/79/899905079.db2.gz KTEJOEJPXHODPF-HZPDHXFCSA-N 0 3 393.281 3.568 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282959302 900979282 /nfs/dbraw/zinc/97/92/82/900979282.db2.gz HSZOBWDYDKOUIW-OFNKIYASSA-N 0 3 397.515 3.629 20 10 GHCDHN C[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc(F)ccc1[O-] ZINC000290063886 914503832 /nfs/dbraw/zinc/50/38/32/914503832.db2.gz FSDVFAVVYZZION-AWEZNQCLSA-N 0 3 397.450 3.751 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1[O-] ZINC000779031218 903196677 /nfs/dbraw/zinc/19/66/77/903196677.db2.gz YTGBZGLGILLYNG-JCGIZDLHSA-N 0 3 397.357 3.757 20 10 GHCDHN C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773100962 904435967 /nfs/dbraw/zinc/43/59/67/904435967.db2.gz HHXNUARCVUIHPD-DLBZAZTESA-N 0 3 386.927 3.501 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000075578007 904948956 /nfs/dbraw/zinc/94/89/56/904948956.db2.gz CVHNHEUJAONMNV-JOCHJYFZSA-N 0 3 380.536 3.731 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@H]1CCCO1 ZINC000189661747 905234360 /nfs/dbraw/zinc/23/43/60/905234360.db2.gz XPRHQMAKISOECS-CQSZACIVSA-N 0 3 383.357 3.587 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@H]1CCCO1 ZINC000189661747 905234379 /nfs/dbraw/zinc/23/43/79/905234379.db2.gz XPRHQMAKISOECS-CQSZACIVSA-N 0 3 383.357 3.587 20 10 GHCDHN CCCCN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1O ZINC000801597175 921174380 /nfs/dbraw/zinc/17/43/80/921174380.db2.gz CYISWZUYNVQCIQ-UHFFFAOYSA-N 0 3 384.476 3.794 20 10 GHCDHN CN(C)C(=O)Sc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000176856128 905964330 /nfs/dbraw/zinc/96/43/30/905964330.db2.gz HMHGJJZLNSXOGL-UHFFFAOYSA-N 0 3 399.560 3.929 20 10 GHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000179647880 906551558 /nfs/dbraw/zinc/55/15/58/906551558.db2.gz ZEVQOXSXGPVZIZ-RXVVDRJESA-N 0 3 385.504 3.512 20 10 GHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000179647880 906551566 /nfs/dbraw/zinc/55/15/66/906551566.db2.gz ZEVQOXSXGPVZIZ-RXVVDRJESA-N 0 3 385.504 3.512 20 10 GHCDHN O=C(c1ccc(F)c(Cl)c1)N1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173785542 906710068 /nfs/dbraw/zinc/71/00/68/906710068.db2.gz WDYAUGJGTOQGMM-UHFFFAOYSA-N 0 3 388.870 3.848 20 10 GHCDHN O=C(c1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173785542 906710076 /nfs/dbraw/zinc/71/00/76/906710076.db2.gz WDYAUGJGTOQGMM-UHFFFAOYSA-N 0 3 388.870 3.848 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773450632 907351824 /nfs/dbraw/zinc/35/18/24/907351824.db2.gz RNQDZYOJSBOVJM-FGSXEWAUSA-N 0 3 380.536 3.633 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000186985474 908015539 /nfs/dbraw/zinc/01/55/39/908015539.db2.gz ULPMPWHXNRLUEZ-CYBMUJFWSA-N 0 3 383.330 3.761 20 10 GHCDHN CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000187315053 908074519 /nfs/dbraw/zinc/07/45/19/908074519.db2.gz VZIPOSBXXBCDQS-NSHDSACASA-N 0 3 382.302 3.618 20 10 GHCDHN CC(=O)Nc1ccc2c(CN[C@H](C)c3ccc(N(C)C)cc3)cc(=O)oc2c1 ZINC000774480909 911785627 /nfs/dbraw/zinc/78/56/27/911785627.db2.gz GDQDUMBIJQQLDW-CQSZACIVSA-N 0 3 379.460 3.668 20 10 GHCDHN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774483220 911787941 /nfs/dbraw/zinc/78/79/41/911787941.db2.gz IVFKAAJMKRPSKQ-HZPDHXFCSA-N 0 3 383.492 3.525 20 10 GHCDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000303816220 915169171 /nfs/dbraw/zinc/16/91/71/915169171.db2.gz ZZIZWTGATSIHNL-TZIWHRDSSA-N 0 3 379.548 3.897 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000775121890 915293186 /nfs/dbraw/zinc/29/31/86/915293186.db2.gz UNFCZXMYLZPAEV-UHFFFAOYSA-N 0 3 381.394 3.903 20 10 GHCDHN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256507 916638612 /nfs/dbraw/zinc/63/86/12/916638612.db2.gz ZCWDBAVYQAUFLD-ZWKOTPCHSA-N 0 3 399.510 3.533 20 10 GHCDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775259738 916698065 /nfs/dbraw/zinc/69/80/65/916698065.db2.gz XXKAWGNJZYBGRW-AWEZNQCLSA-N 0 3 391.874 3.605 20 10 GHCDHN CC[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775510994 918519602 /nfs/dbraw/zinc/51/96/02/918519602.db2.gz BYTVDZNWLQSRNP-SFHVURJKSA-N 0 3 395.975 3.713 20 10 GHCDHN CN(C)C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(Cl)cc1 ZINC000802244376 921948689 /nfs/dbraw/zinc/94/86/89/921948689.db2.gz OELBQYCBKOVKTQ-OAHLLOKOSA-N 0 3 398.985 3.881 20 10 GHCDHN C[C@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000749884185 927329492 /nfs/dbraw/zinc/32/94/92/927329492.db2.gz RIPYJHOWTNAVEH-HRAATJIYSA-N 0 3 399.922 3.633 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000753529186 929390751 /nfs/dbraw/zinc/39/07/51/929390751.db2.gz FFTZIUIPWUXNGX-QFIPXVFZSA-N 0 3 396.531 3.658 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000753529186 929390759 /nfs/dbraw/zinc/39/07/59/929390759.db2.gz FFTZIUIPWUXNGX-QFIPXVFZSA-N 0 3 396.531 3.658 20 10 GHCDHN CN(Cc1cccc(C(N)=O)c1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753536256 929395574 /nfs/dbraw/zinc/39/55/74/929395574.db2.gz PMMZTOZLHNTSFF-UHFFFAOYSA-N 0 3 376.456 3.702 20 10 GHCDHN Cc1ccnc(C2CCN(Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000757927368 929858621 /nfs/dbraw/zinc/85/86/21/929858621.db2.gz DIUFSSMXUAIIHE-UHFFFAOYSA-N 0 3 376.298 3.941 20 10 GHCDHN Cc1ccnc(C2CC[NH+](Cc3cc(Br)cc(C)c3[O-])CC2)n1 ZINC000757927368 929858633 /nfs/dbraw/zinc/85/86/33/929858633.db2.gz DIUFSSMXUAIIHE-UHFFFAOYSA-N 0 3 376.298 3.941 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CN1Cc1ccccc1 ZINC000759586534 930414723 /nfs/dbraw/zinc/41/47/23/930414723.db2.gz PZVYISJQFKPBHW-WBVHZDCISA-N 0 3 390.578 3.588 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CCCc4cn(C5CCCC5)nc43)cc2)CC1 ZINC000780765310 930594182 /nfs/dbraw/zinc/59/41/82/930594182.db2.gz AUOBDWMJNOIBJX-QHCPKHFHSA-N 0 3 393.579 3.917 20 10 GHCDHN COc1cc(N2CCN(C[C@@H](C)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000783673624 931614358 /nfs/dbraw/zinc/61/43/58/931614358.db2.gz QJUBRPRCYCGFBO-MRXNPFEDSA-N 0 3 388.483 3.777 20 10 GHCDHN COc1ccc(CN(Cc2cc(OC)c(OC)cc2O)CC2CC2)c(OC)c1 ZINC000799958664 933188351 /nfs/dbraw/zinc/18/83/51/933188351.db2.gz JIQUCSLFXRKNFP-UHFFFAOYSA-N 0 3 387.476 3.839 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC([C@@H](O)c4ccccc4)CC3)cc2F)CC1 ZINC001116436803 933557502 /nfs/dbraw/zinc/55/75/02/933557502.db2.gz HRWUSRPPJVMURU-DEOSSOPVSA-N 0 3 397.538 3.523 20 10 GHCDHN CN(CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC001221433244 1032412929 /nfs/dbraw/zinc/41/29/29/1032412929.db2.gz ALVVLCSQMTUETI-UHFFFAOYSA-N 0 3 380.536 3.560 20 10 GHCDHN Oc1ccc(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c(O)c1 ZINC001204282738 1032724308 /nfs/dbraw/zinc/72/43/08/1032724308.db2.gz UTAFOAIMZCLQPJ-UHFFFAOYSA-N 0 3 390.483 3.999 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c([O-])c1 ZINC000778113041 1018615196 /nfs/dbraw/zinc/61/51/96/1018615196.db2.gz KYZZUFJNWFFWIN-QGZVFWFLSA-N 0 3 395.286 3.993 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@H](c3ccccn3)C2)c1O ZINC001204338413 1032779874 /nfs/dbraw/zinc/77/98/74/1032779874.db2.gz GNRLSFGKKKCZHD-ZDUSSCGKSA-N 0 3 377.282 3.938 20 10 GHCDHN COC(=O)c1ccc(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[nH]1 ZINC000800526607 1021313824 /nfs/dbraw/zinc/31/38/24/1021313824.db2.gz ODPRBVZOJNWLRI-CQSZACIVSA-N 0 3 375.900 3.981 20 10 GHCDHN COC(=O)c1cccc([C@H]2CCCN2Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC001140288012 1021322592 /nfs/dbraw/zinc/32/25/92/1021322592.db2.gz HKTMVLHRFQMKMC-HSZRJFAPSA-N 0 3 394.515 3.771 20 10 GHCDHN COC(=O)c1ccc(CN2CCN(Cc3c(O)cccc3Cl)[C@@H](C)C2)cc1 ZINC001140341245 1021452126 /nfs/dbraw/zinc/45/21/26/1021452126.db2.gz GIMYAXIMFNXWHM-HNNXBMFYSA-N 0 3 388.895 3.539 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c1[O-] ZINC000834914359 1021677505 /nfs/dbraw/zinc/67/75/05/1021677505.db2.gz UERJRZROFUQQLC-DUVNUKRYSA-N 0 3 394.313 3.768 20 10 GHCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(CC1)OCCc1ccccc12 ZINC001140664098 1022205853 /nfs/dbraw/zinc/20/58/53/1022205853.db2.gz YNQMHUDHVJMBBX-UHFFFAOYSA-N 0 3 396.506 3.726 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC001140856453 1022713080 /nfs/dbraw/zinc/71/30/80/1022713080.db2.gz BYLRERRXPBBYQW-UHFFFAOYSA-N 0 3 387.568 3.853 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949995 1022971205 /nfs/dbraw/zinc/97/12/05/1022971205.db2.gz QCJOBKAGPAJWFW-IFMALSPDSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)c([O-])c1 ZINC001140949995 1022971211 /nfs/dbraw/zinc/97/12/11/1022971211.db2.gz QCJOBKAGPAJWFW-IFMALSPDSA-N 0 3 386.467 3.685 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(COc3ccc(F)cc3)CC2)c(OC)c1 ZINC001141029157 1023279869 /nfs/dbraw/zinc/27/98/69/1023279869.db2.gz KQSQQGBZBKMLIU-UHFFFAOYSA-N 0 3 375.440 3.840 20 10 GHCDHN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc4c5c(c3)CCCN5CCC4)O2)n1 ZINC001141075005 1023435336 /nfs/dbraw/zinc/43/53/36/1023435336.db2.gz HOHUVLXTXFEBHC-NJDAHSKKSA-N 0 3 394.519 3.571 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000756389352 1023624520 /nfs/dbraw/zinc/62/45/20/1023624520.db2.gz CBSJIBLQYPRTRM-HNAYVOBHSA-N 0 3 397.494 3.772 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c2c1c(F)ccc2[O-] ZINC000756435074 1023647105 /nfs/dbraw/zinc/64/71/05/1023647105.db2.gz UUAAEFORRYNHKO-AUUYWEPGSA-N 0 3 398.478 3.569 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756440435 1023651863 /nfs/dbraw/zinc/65/18/63/1023651863.db2.gz DFANEMGEQMAQTC-YOEHRIQHSA-N 0 3 377.481 3.674 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2c1c(F)ccc2[O-] ZINC000756443725 1023653838 /nfs/dbraw/zinc/65/38/38/1023653838.db2.gz UNJCDSVVSCPEDH-ALKREAHSSA-N 0 3 397.494 3.571 20 10 GHCDHN C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756502315 1023685689 /nfs/dbraw/zinc/68/56/89/1023685689.db2.gz GZKYJQSSGCPFFM-IFXJQAMLSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756651650 1023755441 /nfs/dbraw/zinc/75/54/41/1023755441.db2.gz XEQHGSJMAFLZMP-HHXXYDBFSA-N 0 3 382.479 3.903 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138215639 1024380688 /nfs/dbraw/zinc/38/06/88/1024380688.db2.gz MMEKYXRTNZUWLS-UHFFFAOYSA-N 0 3 399.560 3.911 20 10 GHCDHN COC(=O)c1cccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC001138499729 1024932854 /nfs/dbraw/zinc/93/28/54/1024932854.db2.gz GNHOPEQRYMCNOT-JOCHJYFZSA-N 0 3 380.488 3.647 20 10 GHCDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](c2ccccc2)C1 ZINC001138499726 1024933278 /nfs/dbraw/zinc/93/32/78/1024933278.db2.gz GKNDDCGBJJQWLV-GMAHTHKFSA-N 0 3 394.515 3.650 20 10 GHCDHN COc1ccc(N2CCN(C(=O)c3cccc(CN4CCCCC4)c3)CC2)cc1 ZINC000839459918 1025947772 /nfs/dbraw/zinc/94/77/72/1025947772.db2.gz UTPHHNFAIBSZNM-UHFFFAOYSA-N 0 3 393.531 3.644 20 10 GHCDHN COc1cc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1OC ZINC001163729181 1026297234 /nfs/dbraw/zinc/29/72/34/1026297234.db2.gz QNFHAIKGLPYDPR-HXUWFJFHSA-N 0 3 399.491 3.959 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140055680 1026835263 /nfs/dbraw/zinc/83/52/63/1026835263.db2.gz PGQRAANGQRLHCS-FGZHOGPDSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140055680 1026835270 /nfs/dbraw/zinc/83/52/70/1026835270.db2.gz PGQRAANGQRLHCS-FGZHOGPDSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001140055800 1026835488 /nfs/dbraw/zinc/83/54/88/1026835488.db2.gz VPGZOUNNTUCWHG-LJQANCHMSA-N 0 3 395.400 3.803 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001140055800 1026835498 /nfs/dbraw/zinc/83/54/98/1026835498.db2.gz VPGZOUNNTUCWHG-LJQANCHMSA-N 0 3 395.400 3.803 20 10 GHCDHN COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140055465 1026835589 /nfs/dbraw/zinc/83/55/89/1026835589.db2.gz FOBGOKYIYPZVNQ-UHFFFAOYSA-N 0 3 388.483 3.645 20 10 GHCDHN COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140055465 1026835602 /nfs/dbraw/zinc/83/56/02/1026835602.db2.gz FOBGOKYIYPZVNQ-UHFFFAOYSA-N 0 3 388.483 3.645 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001140101557 1026881536 /nfs/dbraw/zinc/88/15/36/1026881536.db2.gz XUWOGYDXVWEUIY-APWZRJJASA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1cccc(Br)c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001140101557 1026881543 /nfs/dbraw/zinc/88/15/43/1026881543.db2.gz XUWOGYDXVWEUIY-APWZRJJASA-N 0 3 387.321 3.861 20 10 GHCDHN CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(O)c1[O-] ZINC001166179426 1026936289 /nfs/dbraw/zinc/93/62/89/1026936289.db2.gz FBVKUSQGICZDMH-UHFFFAOYSA-N 0 3 376.884 3.735 20 10 GHCDHN COCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203555988 1027432023 /nfs/dbraw/zinc/43/20/23/1027432023.db2.gz IFPFWIBVEWSELM-SFHVURJKSA-N 0 3 378.513 3.630 20 10 GHCDHN COCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203555988 1027432037 /nfs/dbraw/zinc/43/20/37/1027432037.db2.gz IFPFWIBVEWSELM-SFHVURJKSA-N 0 3 378.513 3.630 20 10 GHCDHN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001203656496 1027511357 /nfs/dbraw/zinc/51/13/57/1027511357.db2.gz PWZFVFPIIMBSFS-UHFFFAOYSA-N 0 3 392.952 3.974 20 10 GHCDHN O=C(c1cccs1)N1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203878188 1027675266 /nfs/dbraw/zinc/67/52/66/1027675266.db2.gz QRDAFVPABVSDOF-UHFFFAOYSA-N 0 3 386.517 3.678 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001203937366 1027731349 /nfs/dbraw/zinc/73/13/49/1027731349.db2.gz WYOKNEBSVNHCAJ-HXUWFJFHSA-N 0 3 391.556 3.601 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC001203942801 1027737968 /nfs/dbraw/zinc/73/79/68/1027737968.db2.gz RMNWQBZJZWLBSH-UHFFFAOYSA-N 0 3 379.548 3.810 20 10 GHCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000840760999 1027805056 /nfs/dbraw/zinc/80/50/56/1027805056.db2.gz MYMUKZLCXGYPOF-HNNXBMFYSA-N 0 3 375.463 3.718 20 10 GHCDHN CC1CCN([C@H](CNC(=O)NCCc2ccc(N)cc2)c2cccs2)CC1 ZINC000841633755 1028793340 /nfs/dbraw/zinc/79/33/40/1028793340.db2.gz ZHFYDILTAZQDQZ-LJQANCHMSA-N 0 3 386.565 3.645 20 10 GHCDHN O=C(NC[C@H]1NCCc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000841994212 1029025529 /nfs/dbraw/zinc/02/55/29/1029025529.db2.gz CAJMRLAHNYOJJV-OAQYLSRUSA-N 0 3 391.471 3.584 20 10 GHCDHN c1nc2c(cccc2CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)[nH]1 ZINC001142699994 1029284598 /nfs/dbraw/zinc/28/45/98/1029284598.db2.gz BVVOLZIFPQZDDC-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN Cc1ccc(-c2nn(C)cc2C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000843390800 1029958703 /nfs/dbraw/zinc/95/87/03/1029958703.db2.gz IUPIENOJKYOZJG-LJQANCHMSA-N 0 3 381.476 3.875 20 10 GHCDHN Cc1ccc(-c2nn(C)cc2C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000843390800 1029958710 /nfs/dbraw/zinc/95/87/10/1029958710.db2.gz IUPIENOJKYOZJG-LJQANCHMSA-N 0 3 381.476 3.875 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001222652262 1030260575 /nfs/dbraw/zinc/26/05/75/1030260575.db2.gz VUAPRANDKBUZKE-AWEZNQCLSA-N 0 3 393.247 3.661 20 10 GHCDHN COC(=O)c1cccc(-c2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3[O-])c2)c1 ZINC001219332330 1031363680 /nfs/dbraw/zinc/36/36/80/1031363680.db2.gz COPXDJNSMKSVRN-HXUWFJFHSA-N 0 3 390.439 3.874 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccccc1C1CC[NH2+]CC1 ZINC001220212502 1031838111 /nfs/dbraw/zinc/83/81/11/1031838111.db2.gz MAAJVTZSQUKWAT-UHFFFAOYSA-N 0 3 395.890 3.991 20 10 GHCDHN CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277426863 1033765163 /nfs/dbraw/zinc/76/51/63/1033765163.db2.gz KTGZIEIUUKEEOI-LJQANCHMSA-N 0 3 395.341 3.688 20 10 GHCDHN CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277426863 1033765179 /nfs/dbraw/zinc/76/51/79/1033765179.db2.gz KTGZIEIUUKEEOI-LJQANCHMSA-N 0 3 395.341 3.688 20 10 GHCDHN CCN1CC[C@@]2(C[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@@H]2C)C1=O ZINC001231468352 1034612018 /nfs/dbraw/zinc/61/20/18/1034612018.db2.gz XCXCHKSVOQJKPT-UUOWRZLLSA-N 0 3 394.515 3.662 20 10 GHCDHN CCN1CC[C@@]2(C[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@@H]2C)C1=O ZINC001231468352 1034612026 /nfs/dbraw/zinc/61/20/26/1034612026.db2.gz XCXCHKSVOQJKPT-UUOWRZLLSA-N 0 3 394.515 3.662 20 10 GHCDHN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231587834 1034741747 /nfs/dbraw/zinc/74/17/47/1034741747.db2.gz ZRGUNCOHMRFZFA-AMHTUMDSSA-N 0 3 394.515 3.584 20 10 GHCDHN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231587834 1034741765 /nfs/dbraw/zinc/74/17/65/1034741765.db2.gz ZRGUNCOHMRFZFA-AMHTUMDSSA-N 0 3 394.515 3.584 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)[C@H]2C1 ZINC001231589178 1034743929 /nfs/dbraw/zinc/74/39/29/1034743929.db2.gz XTYDEQVQSHHKIS-XLIONFOSSA-N 0 3 376.456 3.875 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)[C@H]2C1 ZINC001231589178 1034743943 /nfs/dbraw/zinc/74/39/43/1034743943.db2.gz XTYDEQVQSHHKIS-XLIONFOSSA-N 0 3 376.456 3.875 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)cc1Cl ZINC001231870541 1034957170 /nfs/dbraw/zinc/95/71/70/1034957170.db2.gz HYZBWNABIUKXTC-ZDUSSCGKSA-N 0 3 398.688 3.560 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)cc1Cl ZINC001231870541 1034957173 /nfs/dbraw/zinc/95/71/73/1034957173.db2.gz HYZBWNABIUKXTC-ZDUSSCGKSA-N 0 3 398.688 3.560 20 10 GHCDHN CC(C)(C)Oc1ccnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160619092 1035017261 /nfs/dbraw/zinc/01/72/61/1035017261.db2.gz QOMCCIUWNRKCOF-WOJBJXKFSA-N 0 3 394.475 3.918 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccc(C)nc4C)C3)C2)cc1 ZINC001232082323 1035084225 /nfs/dbraw/zinc/08/42/25/1035084225.db2.gz PKLKINFOKADOQH-DEOSSOPVSA-N 0 3 395.547 3.826 20 10 GHCDHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209517312 1035300124 /nfs/dbraw/zinc/30/01/24/1035300124.db2.gz BHDNALQHMQEWRT-QFIPXVFZSA-N 0 3 383.536 3.553 20 10 GHCDHN Cc1cc(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(C)n1-c1ccccc1 ZINC001461968934 1069920566 /nfs/dbraw/zinc/92/05/66/1069920566.db2.gz OVWWJBMJSDLDRC-QHCPKHFHSA-N 0 3 385.527 3.965 20 10 GHCDHN COc1cc(I)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC001248391680 1035803008 /nfs/dbraw/zinc/80/30/08/1035803008.db2.gz XFXDOTKYVLEMLA-TXEJJXNPSA-N 0 3 387.261 3.627 20 10 GHCDHN COc1cc(I)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC001248391680 1035803032 /nfs/dbraw/zinc/80/30/32/1035803032.db2.gz XFXDOTKYVLEMLA-TXEJJXNPSA-N 0 3 387.261 3.627 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233107391 1038895511 /nfs/dbraw/zinc/89/55/11/1038895511.db2.gz AZIKCFNZMIGDAQ-HNAYVOBHSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107391 1038895537 /nfs/dbraw/zinc/89/55/37/1038895537.db2.gz AZIKCFNZMIGDAQ-HNAYVOBHSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107391 1038895568 /nfs/dbraw/zinc/89/55/68/1038895568.db2.gz AZIKCFNZMIGDAQ-HNAYVOBHSA-N 0 3 398.341 3.871 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC001233110348 1038900883 /nfs/dbraw/zinc/90/08/83/1038900883.db2.gz BHAKZORYWMJUGO-UONOGXRCSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1C ZINC001233110348 1038900894 /nfs/dbraw/zinc/90/08/94/1038900894.db2.gz BHAKZORYWMJUGO-UONOGXRCSA-N 0 3 384.314 3.874 20 10 GHCDHN Cc1cccnc1O[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233111522 1038902326 /nfs/dbraw/zinc/90/23/26/1038902326.db2.gz RXQNPMHOPBDSOJ-INIZCTEOSA-N 0 3 377.282 3.820 20 10 GHCDHN CCOC(=O)c1c(CN2CCCC[C@@H](C(=O)OCC)C2)c2ccccc2n1C ZINC001233273056 1039040373 /nfs/dbraw/zinc/04/03/73/1039040373.db2.gz MHWFHJBWYKQPLR-MRXNPFEDSA-N 0 3 386.492 3.520 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1[O-] ZINC001233288204 1039067845 /nfs/dbraw/zinc/06/78/45/1039067845.db2.gz BQGJDWGITRBTKG-KRWDZBQOSA-N 0 3 381.900 3.604 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1O ZINC001233288204 1039067853 /nfs/dbraw/zinc/06/78/53/1039067853.db2.gz BQGJDWGITRBTKG-KRWDZBQOSA-N 0 3 381.900 3.604 20 10 GHCDHN Oc1c(CN2CCN(CCc3cccs3)CC2)cccc1OC(F)(F)F ZINC001233754241 1039590439 /nfs/dbraw/zinc/59/04/39/1039590439.db2.gz BATQIMQJMSKHKT-UHFFFAOYSA-N 0 3 386.439 3.713 20 10 GHCDHN Oc1c(CN2CCN(CCc3ccccc3)CC2)cccc1OC(F)(F)F ZINC001233755633 1039591782 /nfs/dbraw/zinc/59/17/82/1039591782.db2.gz WYLLEGCDUSKOFU-UHFFFAOYSA-N 0 3 380.410 3.651 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1C ZINC001233775866 1039605807 /nfs/dbraw/zinc/60/58/07/1039605807.db2.gz FHEIIBLGHWPRNL-QWHCGFSZSA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1C ZINC001233775866 1039605818 /nfs/dbraw/zinc/60/58/18/1039605818.db2.gz FHEIIBLGHWPRNL-QWHCGFSZSA-N 0 3 375.387 3.702 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCC(=O)N4CC4CC4)CC3)c2c1 ZINC001234535581 1040108554 /nfs/dbraw/zinc/10/85/54/1040108554.db2.gz ATLSZEMRFMGPLM-UHFFFAOYSA-N 0 3 394.515 3.921 20 10 GHCDHN CCOC(=O)C[C@@H](Oc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC001234657825 1040193741 /nfs/dbraw/zinc/19/37/41/1040193741.db2.gz JFNZUUQTJYNBIP-JOCHJYFZSA-N 0 3 382.504 3.902 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+]([C@H]1CCCOC1)C[C@@H]2c1ccc(O)cc1 ZINC001254385512 1040205328 /nfs/dbraw/zinc/20/53/28/1040205328.db2.gz GQPAOSQZPHUYLX-KBXCAEBGSA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+]([C@H]1CCCOC1)C[C@@H]2c1ccc(O)cc1 ZINC001254385512 1040205339 /nfs/dbraw/zinc/20/53/39/1040205339.db2.gz GQPAOSQZPHUYLX-KBXCAEBGSA-N 0 3 389.879 3.626 20 10 GHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254707819 1040466650 /nfs/dbraw/zinc/46/66/50/1040466650.db2.gz RQWIYHJHNGCBDN-MRXNPFEDSA-N 0 3 378.538 3.709 20 10 GHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254707819 1040466662 /nfs/dbraw/zinc/46/66/62/1040466662.db2.gz RQWIYHJHNGCBDN-MRXNPFEDSA-N 0 3 378.538 3.709 20 10 GHCDHN CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234987786 1040483125 /nfs/dbraw/zinc/48/31/25/1040483125.db2.gz KGTIVPMSNRZGHQ-SFHVURJKSA-N 0 3 377.488 3.924 20 10 GHCDHN CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234987786 1040483132 /nfs/dbraw/zinc/48/31/32/1040483132.db2.gz KGTIVPMSNRZGHQ-SFHVURJKSA-N 0 3 377.488 3.924 20 10 GHCDHN COCCN1C(=O)CCC12CC[NH+](Cc1cccc(-c3ccccc3)c1[O-])CC2 ZINC001234993437 1040487539 /nfs/dbraw/zinc/48/75/39/1040487539.db2.gz CKVGLNBASJYDHT-UHFFFAOYSA-N 0 3 394.515 3.663 20 10 GHCDHN CO[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001235001979 1040494525 /nfs/dbraw/zinc/49/45/25/1040494525.db2.gz XBXVCCSIOHPDML-VQTJNVASSA-N 0 3 398.503 3.783 20 10 GHCDHN CO[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001235001979 1040494526 /nfs/dbraw/zinc/49/45/26/1040494526.db2.gz XBXVCCSIOHPDML-VQTJNVASSA-N 0 3 398.503 3.783 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377767 1040888883 /nfs/dbraw/zinc/88/88/83/1040888883.db2.gz DBFNHLKBLKKYPC-QUCCMNQESA-N 0 3 387.321 3.734 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c([O-])c1 ZINC001235680961 1041145069 /nfs/dbraw/zinc/14/50/69/1041145069.db2.gz XMZHLAJTBGYYGL-OFNKIYASSA-N 0 3 382.504 3.897 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c([O-])c1 ZINC001235680961 1041145094 /nfs/dbraw/zinc/14/50/94/1041145094.db2.gz XMZHLAJTBGYYGL-OFNKIYASSA-N 0 3 382.504 3.897 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)c([O-])c1 ZINC001235685961 1041154295 /nfs/dbraw/zinc/15/42/95/1041154295.db2.gz VXPRSYSHYQJSIN-QHCPKHFHSA-N 0 3 379.504 3.714 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)c([O-])c1 ZINC001235685961 1041154306 /nfs/dbraw/zinc/15/43/06/1041154306.db2.gz VXPRSYSHYQJSIN-QHCPKHFHSA-N 0 3 379.504 3.714 20 10 GHCDHN COc1cc(C)c(CN2CCN[C@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797534 1041299297 /nfs/dbraw/zinc/29/92/97/1041299297.db2.gz VXEQHOYPLRRFNP-SFHVURJKSA-N 0 3 391.309 3.618 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](c3ccccc3)C2)N(C)C)cc1 ZINC001256232802 1041667968 /nfs/dbraw/zinc/66/79/68/1041667968.db2.gz URFOBEYCASZPCE-UNMCSNQZSA-N 0 3 380.536 3.554 20 10 GHCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1I ZINC001236644513 1041800236 /nfs/dbraw/zinc/80/02/36/1041800236.db2.gz TWEKHEXKHXXLOO-UHFFFAOYSA-N 0 3 383.229 3.637 20 10 GHCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1I ZINC001236644513 1041800238 /nfs/dbraw/zinc/80/02/38/1041800238.db2.gz TWEKHEXKHXXLOO-UHFFFAOYSA-N 0 3 383.229 3.637 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCC[C@H](Oc2cnccn2)C1 ZINC001236781773 1041889789 /nfs/dbraw/zinc/88/97/89/1041889789.db2.gz HPYFRFLAKFOVNA-NRFANRHFSA-N 0 3 391.471 3.805 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001236788548 1041894434 /nfs/dbraw/zinc/89/44/34/1041894434.db2.gz LWNVLLPESSPADR-BJKOFHAPSA-N 0 3 378.516 3.719 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001236788548 1041894442 /nfs/dbraw/zinc/89/44/42/1041894442.db2.gz LWNVLLPESSPADR-BJKOFHAPSA-N 0 3 378.516 3.719 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)c([O-])c1 ZINC001236812360 1041912040 /nfs/dbraw/zinc/91/20/40/1041912040.db2.gz ZVRIRHIXSFWIHF-NRFANRHFSA-N 0 3 380.488 3.505 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001236831614 1041921609 /nfs/dbraw/zinc/92/16/09/1041921609.db2.gz WJXAVHAPAIHSKU-GOSISDBHSA-N 0 3 377.488 3.801 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001236831614 1041921610 /nfs/dbraw/zinc/92/16/10/1041921610.db2.gz WJXAVHAPAIHSKU-GOSISDBHSA-N 0 3 377.488 3.801 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc3ccccc3cc2[O-])cs1 ZINC001236833007 1041922109 /nfs/dbraw/zinc/92/21/09/1041922109.db2.gz SOEOXOZLJQRPBA-VQTJNVASSA-N 0 3 393.512 3.686 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2cc3ccccc3cc2[O-])cs1 ZINC001236833007 1041922111 /nfs/dbraw/zinc/92/21/11/1041922111.db2.gz SOEOXOZLJQRPBA-VQTJNVASSA-N 0 3 393.512 3.686 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001236833381 1041922170 /nfs/dbraw/zinc/92/21/70/1041922170.db2.gz WCOMMKGVECHQCK-ODOSVJCGSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001236833381 1041922172 /nfs/dbraw/zinc/92/21/72/1041922172.db2.gz WCOMMKGVECHQCK-ODOSVJCGSA-N 0 3 390.483 3.999 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001236833381 1041922175 /nfs/dbraw/zinc/92/21/75/1041922175.db2.gz WCOMMKGVECHQCK-ODOSVJCGSA-N 0 3 390.483 3.999 20 10 GHCDHN C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236850518 1041927654 /nfs/dbraw/zinc/92/76/54/1041927654.db2.gz UPMCQHYHDQTXOK-IYBDPMFKSA-N 0 3 390.524 4.000 20 10 GHCDHN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236850518 1041927655 /nfs/dbraw/zinc/92/76/55/1041927655.db2.gz UPMCQHYHDQTXOK-IYBDPMFKSA-N 0 3 390.524 4.000 20 10 GHCDHN Oc1ccc2cc(Br)ccc2c1CN1CCNC[C@@H]1C(F)(F)F ZINC001236981325 1041977073 /nfs/dbraw/zinc/97/70/73/1041977073.db2.gz NDXYCLZOKXKCOK-OAHLLOKOSA-N 0 3 389.215 3.644 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)c([O-])c1 ZINC001237041790 1042001728 /nfs/dbraw/zinc/00/17/28/1042001728.db2.gz UOBICEQPMSHEGL-FQEVSTJZSA-N 0 3 389.536 3.836 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c([O-])c1 ZINC001237042212 1042001735 /nfs/dbraw/zinc/00/17/35/1042001735.db2.gz YJBGHFMQFQBZDZ-UHFFFAOYSA-N 0 3 394.515 3.588 20 10 GHCDHN CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237050742 1042008868 /nfs/dbraw/zinc/00/88/68/1042008868.db2.gz FCOJOLRSGQUDEQ-CQSZACIVSA-N 0 3 391.386 3.859 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)c([O-])c1 ZINC001237049967 1042009096 /nfs/dbraw/zinc/00/90/96/1042009096.db2.gz VDNDRFMANYLFHM-MRXNPFEDSA-N 0 3 392.297 3.721 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)c([O-])c1 ZINC001237049967 1042009099 /nfs/dbraw/zinc/00/90/99/1042009099.db2.gz VDNDRFMANYLFHM-MRXNPFEDSA-N 0 3 392.297 3.721 20 10 GHCDHN CCOc1ccc(CN2CCN(c3ccc(Br)cc3)CC2)c(O)c1 ZINC001237049451 1042009572 /nfs/dbraw/zinc/00/95/72/1042009572.db2.gz FYJYXQBORVEFLF-UHFFFAOYSA-N 0 3 391.309 3.876 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001237081420 1042026702 /nfs/dbraw/zinc/02/67/02/1042026702.db2.gz XKVPCBHFHHJTJY-KBPBESRZSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001237081420 1042026708 /nfs/dbraw/zinc/02/67/08/1042026708.db2.gz XKVPCBHFHHJTJY-KBPBESRZSA-N 0 3 378.303 3.658 20 10 GHCDHN COc1ccc(CC[N@H+](C)Cc2c([O-])cccc2OC(F)(F)F)cc1OC ZINC001237119616 1042048930 /nfs/dbraw/zinc/04/89/30/1042048930.db2.gz JHEPGNGOURUSBK-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN COc1ccc(CC[N@@H+](C)Cc2c([O-])cccc2OC(F)(F)F)cc1OC ZINC001237119616 1042048937 /nfs/dbraw/zinc/04/89/37/1042048937.db2.gz JHEPGNGOURUSBK-UHFFFAOYSA-N 0 3 385.382 3.983 20 10 GHCDHN O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1 ZINC001237135927 1042057306 /nfs/dbraw/zinc/05/73/06/1042057306.db2.gz ABEMELBJIUOWOU-HUUCEWRRSA-N 0 3 396.434 3.677 20 10 GHCDHN Oc1ccc(C(F)(F)F)cc1CN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237136711 1042058692 /nfs/dbraw/zinc/05/86/92/1042058692.db2.gz UNAKTFAWFDMBFD-HKUYNNGSSA-N 0 3 394.393 3.618 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001237484655 1042228823 /nfs/dbraw/zinc/22/88/23/1042228823.db2.gz GOILHGYXDDAJTA-NVXWUHKLSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001237484655 1042228825 /nfs/dbraw/zinc/22/88/25/1042228825.db2.gz GOILHGYXDDAJTA-NVXWUHKLSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1nccnc1O[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237650387 1042302925 /nfs/dbraw/zinc/30/29/25/1042302925.db2.gz RFQOVQIXVPLEIM-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237650387 1042302930 /nfs/dbraw/zinc/30/29/30/1042302930.db2.gz RFQOVQIXVPLEIM-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN COc1cc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)c(O)c(OC)c1 ZINC001237675731 1042317373 /nfs/dbraw/zinc/31/73/73/1042317373.db2.gz FYNSPQITXUXTDJ-UHFFFAOYSA-N 0 3 395.459 3.839 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c1[O-] ZINC001237679112 1042320605 /nfs/dbraw/zinc/32/06/05/1042320605.db2.gz GMEOJJVCDMOVRB-APWZRJJASA-N 0 3 388.870 3.584 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c1[O-] ZINC001237679112 1042320608 /nfs/dbraw/zinc/32/06/08/1042320608.db2.gz GMEOJJVCDMOVRB-APWZRJJASA-N 0 3 388.870 3.584 20 10 GHCDHN COc1cc(CN2CCC(NC(=O)Nc3cccc(C)c3)CC2)c(O)c(OC)c1 ZINC001237686448 1042326617 /nfs/dbraw/zinc/32/66/17/1042326617.db2.gz ZLOBBWVUUWBTDN-UHFFFAOYSA-N 0 3 399.491 3.504 20 10 GHCDHN Cc1cc(O)c(CN2CCC[C@H](Oc3ccncc3)C2)cc1Br ZINC001237686753 1042327032 /nfs/dbraw/zinc/32/70/32/1042327032.db2.gz XNZIHBUOBFTNRW-INIZCTEOSA-N 0 3 377.282 3.902 20 10 GHCDHN Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cc(F)cc(C)c4[O-])C3)C2=O)c1 ZINC001238063326 1042479894 /nfs/dbraw/zinc/47/98/94/1042479894.db2.gz ZRQVKBVXPMIBMD-HSZRJFAPSA-N 0 3 382.479 3.773 20 10 GHCDHN Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cc(F)cc(C)c4[O-])C3)C2=O)c1 ZINC001238063326 1042479898 /nfs/dbraw/zinc/47/98/98/1042479898.db2.gz ZRQVKBVXPMIBMD-HSZRJFAPSA-N 0 3 382.479 3.773 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccc(OC(F)F)c(F)c3)cc2F)CC1 ZINC001261238160 1045934455 /nfs/dbraw/zinc/93/44/55/1045934455.db2.gz SRXUIWHFZDRZRW-UHFFFAOYSA-N 0 3 397.416 3.608 20 10 GHCDHN Nc1ccc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC001262488104 1046262061 /nfs/dbraw/zinc/26/20/61/1046262061.db2.gz QOSPNHQBOMOPEU-SFHVURJKSA-N 0 3 377.410 3.568 20 10 GHCDHN O=C(CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000733330444 1049372784 /nfs/dbraw/zinc/37/27/84/1049372784.db2.gz WHWHDMGQFXUGGD-UHFFFAOYSA-N 0 3 382.464 3.704 20 10 GHCDHN COc1cc(C2(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)CC2)ccc1C ZINC001289599758 1049555610 /nfs/dbraw/zinc/55/56/10/1049555610.db2.gz ITBBCADTNQTOIV-NRFANRHFSA-N 0 3 395.547 3.520 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(OC(F)(F)F)c2)N(C)C)cc1 ZINC001289600988 1049557315 /nfs/dbraw/zinc/55/73/15/1049557315.db2.gz XVWRVMYAIWGCCP-GOSISDBHSA-N 0 3 395.425 3.684 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)c(Cl)c2)N(C)C)cc1 ZINC001289602048 1049557508 /nfs/dbraw/zinc/55/75/08/1049557508.db2.gz IVXMTHTZVDXKCA-LJQANCHMSA-N 0 3 377.891 3.507 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC001308589547 1050022106 /nfs/dbraw/zinc/02/21/06/1050022106.db2.gz QHIMRZBEDHFLMN-CQSZACIVSA-N 0 3 389.883 3.608 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC001308589547 1050022112 /nfs/dbraw/zinc/02/21/12/1050022112.db2.gz QHIMRZBEDHFLMN-CQSZACIVSA-N 0 3 389.883 3.608 20 10 GHCDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001308631424 1050041503 /nfs/dbraw/zinc/04/15/03/1050041503.db2.gz MRANIYROUGEZGZ-MDZRGWNJSA-N 0 3 399.501 3.845 20 10 GHCDHN CN1CCN(c2ccc(CNCc3ccccc3CC(F)(F)F)cc2F)CC1 ZINC001329531116 1050831013 /nfs/dbraw/zinc/83/10/13/1050831013.db2.gz QHXBMCDIPNCSGD-UHFFFAOYSA-N 0 3 395.444 3.972 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(-n3cccc3)c2)N(C)C)cc1 ZINC001309974699 1051079842 /nfs/dbraw/zinc/07/98/42/1051079842.db2.gz SFKUJEBPKSGLEO-JOCHJYFZSA-N 0 3 391.519 3.968 20 10 GHCDHN O=C(CNCc1ccc(N2CCCC2)cc1)Nc1ccc(Br)cc1 ZINC001332872596 1051589765 /nfs/dbraw/zinc/58/97/65/1051589765.db2.gz QZKBNCKQFDIMST-UHFFFAOYSA-N 0 3 388.309 3.778 20 10 GHCDHN C[C@@H](CCc1ccccc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311367336 1052063337 /nfs/dbraw/zinc/06/33/37/1052063337.db2.gz LGIAQYZPBVEAAU-AVRDEDQJSA-N 0 3 382.552 3.676 20 10 GHCDHN CCN1C[C@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC001313859889 1053258941 /nfs/dbraw/zinc/25/89/41/1053258941.db2.gz LWLJGUUYSDDCKT-MOPGFXCFSA-N 0 3 398.599 3.743 20 10 GHCDHN O=C1[C@@H](NCc2ccc(N3CCCC3)cc2)CCCN1Cc1ccc(F)cc1F ZINC001320937835 1056025580 /nfs/dbraw/zinc/02/55/80/1056025580.db2.gz GCKMYDVGJYQLBW-QFIPXVFZSA-N 0 3 399.485 3.846 20 10 GHCDHN COc1ccccc1OCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848512969 1057142445 /nfs/dbraw/zinc/14/24/45/1057142445.db2.gz AYSMSOOSPBRZNQ-LBPRGKRZSA-N 0 3 396.281 3.902 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COc3ccccc3C2)c1[O-] ZINC000848526431 1057148894 /nfs/dbraw/zinc/14/88/94/1057148894.db2.gz XBJSSJPJYBMPJV-SMDDNHRTSA-N 0 3 378.266 3.818 20 10 GHCDHN CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])c1C ZINC000848524747 1057149061 /nfs/dbraw/zinc/14/90/61/1057149061.db2.gz LYIDUWGGVYQRMT-SNVBAGLBSA-N 0 3 382.302 3.847 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1[O-] ZINC000848534896 1057156665 /nfs/dbraw/zinc/15/66/65/1057156665.db2.gz WFKGMZCIYDQZSL-IGCXYCKISA-N 0 3 394.309 3.979 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1[O-] ZINC000848550975 1057172279 /nfs/dbraw/zinc/17/22/79/1057172279.db2.gz AMDFUFBGMXEOQM-NSHDSACASA-N 0 3 390.281 3.901 20 10 GHCDHN Cc1cc(CC(=O)N(CCN(C)C)Cc2ccco2)c(C)n1-c1ccccc1 ZINC001355650749 1057241397 /nfs/dbraw/zinc/24/13/97/1057241397.db2.gz SJWFMPCOXVIHPU-UHFFFAOYSA-N 0 3 379.504 3.820 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C(F)(F)c2cc(F)cc(F)c2)N(C)C)cc1 ZINC001439959009 1058365688 /nfs/dbraw/zinc/36/56/88/1058365688.db2.gz AXRSUAQTDOCJIQ-SFHVURJKSA-N 0 3 397.416 3.542 20 10 GHCDHN O[C@H]([C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001339154536 1058985062 /nfs/dbraw/zinc/98/50/62/1058985062.db2.gz HWRDOWWCZZSKHB-VQTJNVASSA-N 0 3 378.438 3.911 20 10 GHCDHN COC(=O)c1cccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC001339695532 1059397818 /nfs/dbraw/zinc/39/78/18/1059397818.db2.gz AWOWSDDRWSQOFX-HOTGVXAUSA-N 0 3 386.467 3.516 20 10 GHCDHN CCCN(CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccccc1O ZINC001459556061 1064126674 /nfs/dbraw/zinc/12/66/74/1064126674.db2.gz NTLQGVZBQXIILN-UHFFFAOYSA-N 0 3 396.512 3.966 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(c3cccc(F)c3)CC2)N(C)C)cc1 ZINC001468939904 1067933232 /nfs/dbraw/zinc/93/32/32/1067933232.db2.gz YWCBUEVUICMMNA-OAQYLSRUSA-N 0 3 398.526 3.525 20 10 GHCDHN C[C@@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1Cc1ccccc1 ZINC001478173064 1078751898 /nfs/dbraw/zinc/75/18/98/1078751898.db2.gz ADXIKXHKVKSJFJ-YLJYHZDGSA-N 0 3 393.531 3.733 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)c2ccccc2F)N(C)C)cc1 ZINC001471548158 1073126801 /nfs/dbraw/zinc/12/68/01/1073126801.db2.gz QUDVCSXRENJHOO-FQEVSTJZSA-N 0 3 386.515 3.729 20 10 GHCDHN Cc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)c(Br)c1 ZINC001474249440 1074309908 /nfs/dbraw/zinc/30/99/08/1074309908.db2.gz FQTBETVVGPZLOT-UHFFFAOYSA-N 0 3 388.353 3.799 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(C)cc1[O-] ZINC000279961864 844015823 /nfs/dbraw/zinc/01/58/23/844015823.db2.gz CJSTUVJCDXGBOY-FQEVSTJZSA-N 0 3 390.549 3.769 20 10 GHCDHN CCNC(=O)COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725846393 836738477 /nfs/dbraw/zinc/73/84/77/836738477.db2.gz CULWMLWOVFVRJO-UHFFFAOYSA-N 0 3 390.483 3.864 20 10 GHCDHN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000255377803 842475997 /nfs/dbraw/zinc/47/59/97/842475997.db2.gz YZCLKMYOUSKUSU-HXUWFJFHSA-N 0 3 391.475 3.737 20 10 GHCDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588459292 843544958 /nfs/dbraw/zinc/54/49/58/843544958.db2.gz URKRJUMNDHHXIH-MOPGFXCFSA-N 0 3 379.464 3.674 20 10 GHCDHN Cc1cc(C(=O)NCC2(N3CCSCC3)CCCC2)c(C)n1-c1ccccn1 ZINC000126093512 843774631 /nfs/dbraw/zinc/77/46/31/843774631.db2.gz ILYVKXCLISJZPR-UHFFFAOYSA-N 0 3 398.576 3.581 20 10 GHCDHN COc1ccc(O)c(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000280268774 846346278 /nfs/dbraw/zinc/34/62/78/846346278.db2.gz MIUKOHGRATWVOJ-OAHLLOKOSA-N 0 3 375.774 3.896 20 10 GHCDHN CC(C)C(=O)NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273551483 847368770 /nfs/dbraw/zinc/36/87/70/847368770.db2.gz VDIVOKQDQFQOCH-UHFFFAOYSA-N 0 3 382.504 3.708 20 10 GHCDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000472231494 847549860 /nfs/dbraw/zinc/54/98/60/847549860.db2.gz GTQHKGNMICWDOX-UHFFFAOYSA-N 0 3 382.508 3.662 20 10 GHCDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846359 861903614 /nfs/dbraw/zinc/90/36/14/861903614.db2.gz WZNACXIUJLYGEF-APWZRJJASA-N 0 3 387.524 3.541 20 10 GHCDHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846359 861903627 /nfs/dbraw/zinc/90/36/27/861903627.db2.gz WZNACXIUJLYGEF-APWZRJJASA-N 0 3 387.524 3.541 20 10 GHCDHN CCCCCCN(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731870138 861940276 /nfs/dbraw/zinc/94/02/76/861940276.db2.gz DQMANHQHFVGXDB-HDICACEKSA-N 0 3 393.547 3.568 20 10 GHCDHN COc1ccc(COC[C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204932 862144935 /nfs/dbraw/zinc/14/49/35/862144935.db2.gz WGIJANXOCLTQJM-OAQYLSRUSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1ccc(COC[C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204932 862144940 /nfs/dbraw/zinc/14/49/40/862144940.db2.gz WGIJANXOCLTQJM-OAQYLSRUSA-N 0 3 385.504 3.723 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c([O-])c1 ZINC000760034300 854938110 /nfs/dbraw/zinc/93/81/10/854938110.db2.gz MHYLQWGAOZXAQZ-ZBFHGGJFSA-N 0 3 378.310 3.965 20 10 GHCDHN Cc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 ZINC000139816976 856088610 /nfs/dbraw/zinc/08/86/10/856088610.db2.gz PDCWSLDPDLLDGX-UHFFFAOYSA-N 0 3 397.523 3.602 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1N1CCC(O)CC1 ZINC000921745063 856265324 /nfs/dbraw/zinc/26/53/24/856265324.db2.gz QYQCLDXPTOADST-MRXNPFEDSA-N 0 3 384.495 3.963 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)c(Cl)c1 ZINC000765977315 859003927 /nfs/dbraw/zinc/00/39/27/859003927.db2.gz DUAQNIXBSOXUPV-CQSZACIVSA-N 0 3 396.915 3.565 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000761206311 859123853 /nfs/dbraw/zinc/12/38/53/859123853.db2.gz VXDCPSIVZDRAKS-QWHCGFSZSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000761206311 859123863 /nfs/dbraw/zinc/12/38/63/859123863.db2.gz VXDCPSIVZDRAKS-QWHCGFSZSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000761215436 859334000 /nfs/dbraw/zinc/33/40/00/859334000.db2.gz LNBNSHNFGJJLGW-CRAIPNDOSA-N 0 3 395.286 3.769 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000761215450 859334146 /nfs/dbraw/zinc/33/41/46/859334146.db2.gz LNBNSHNFGJJLGW-YJBOKZPZSA-N 0 3 395.286 3.769 20 10 GHCDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000765230734 859857482 /nfs/dbraw/zinc/85/74/82/859857482.db2.gz SZPCALOHWABTPC-WMZHIEFXSA-N 0 3 392.547 3.607 20 10 GHCDHN CC(C)C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000765243989 859861619 /nfs/dbraw/zinc/86/16/19/859861619.db2.gz LYURQKIMRMXQHO-KNQAVFIVSA-N 0 3 380.536 3.660 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]Cc2c(C)cc(CO)cc2C)c1[O-] ZINC000922561226 860178892 /nfs/dbraw/zinc/17/88/92/860178892.db2.gz NGESOKKREMQTDW-UHFFFAOYSA-N 0 3 380.282 3.562 20 10 GHCDHN C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000154946550 860338661 /nfs/dbraw/zinc/33/86/61/860338661.db2.gz NZDNEPKAXLMXLL-OAHLLOKOSA-N 0 3 395.425 3.710 20 10 GHCDHN CN(C)c1ccc(CN(C)C[C@@H](O)COCc2ccccc2)c(C(F)(F)F)c1 ZINC000792794314 881672585 /nfs/dbraw/zinc/67/25/85/881672585.db2.gz ZDXCMYWZDXFINA-LJQANCHMSA-N 0 3 396.453 3.781 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000734133098 864021710 /nfs/dbraw/zinc/02/17/10/864021710.db2.gz ADTDOPQLEROMKG-NRFANRHFSA-N 0 3 388.515 3.884 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000734658249 864374561 /nfs/dbraw/zinc/37/45/61/864374561.db2.gz FRKYWLCEZNBHDX-QFIPXVFZSA-N 0 3 380.536 3.697 20 10 GHCDHN CN(C)c1ccc(CNCc2ccnc(-n3cccn3)c2)c(C(F)(F)F)c1 ZINC000792905515 881790966 /nfs/dbraw/zinc/79/09/66/881790966.db2.gz RZZDEMJQNBYLGW-UHFFFAOYSA-N 0 3 375.398 3.642 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000735836456 865006724 /nfs/dbraw/zinc/00/67/24/865006724.db2.gz ICOLNCYWTWJCSR-UHFFFAOYSA-N 0 3 399.579 3.670 20 10 GHCDHN COc1ccc(N2CCN(C[C@@H](O)Cc3ccc4ccccc4c3)CC2)cc1F ZINC001168067265 865951290 /nfs/dbraw/zinc/95/12/90/865951290.db2.gz HIAVFLMUVZUZCF-QFIPXVFZSA-N 0 3 394.490 3.713 20 10 GHCDHN CN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000121311739 866149356 /nfs/dbraw/zinc/14/93/56/866149356.db2.gz QAWRLUBUOFRUKT-UHFFFAOYSA-N 0 3 380.467 3.684 20 10 GHCDHN COc1cc(N2CCN(CCCc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000183707222 867472545 /nfs/dbraw/zinc/47/25/45/867472545.db2.gz ULISWHJRALGCND-UHFFFAOYSA-N 0 3 388.483 3.606 20 10 GHCDHN COc1ccc(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)c(O)c1 ZINC000793386289 882162233 /nfs/dbraw/zinc/16/22/33/882162233.db2.gz KGFNHKVILCQJTL-GOSISDBHSA-N 0 3 377.868 3.902 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000743554111 868259741 /nfs/dbraw/zinc/25/97/41/868259741.db2.gz YGOWJZYZWORECG-HXUWFJFHSA-N 0 3 393.531 3.735 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000743870134 868466271 /nfs/dbraw/zinc/46/62/71/868466271.db2.gz IPWIKXYBBQXMIF-DLBZAZTESA-N 0 3 398.503 3.641 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000743870134 868466281 /nfs/dbraw/zinc/46/62/81/868466281.db2.gz IPWIKXYBBQXMIF-DLBZAZTESA-N 0 3 398.503 3.641 20 10 GHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000744402251 868811626 /nfs/dbraw/zinc/81/16/26/868811626.db2.gz LDHHKRGZNLAJGP-LJQANCHMSA-N 0 3 390.430 3.680 20 10 GHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000744402251 868811644 /nfs/dbraw/zinc/81/16/44/868811644.db2.gz LDHHKRGZNLAJGP-LJQANCHMSA-N 0 3 390.430 3.680 20 10 GHCDHN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000857547656 882329447 /nfs/dbraw/zinc/32/94/47/882329447.db2.gz OFNYSWZFGMNPIJ-OAHLLOKOSA-N 0 3 376.859 3.713 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000920866788 882425921 /nfs/dbraw/zinc/42/59/21/882425921.db2.gz JHOICYQQNWKXHA-KSSXRGRSSA-N 0 3 387.568 3.503 20 10 GHCDHN COC[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000312283874 873161960 /nfs/dbraw/zinc/16/19/60/873161960.db2.gz OOUCEGOQWZQUEX-VLIAUNLRSA-N 0 3 382.476 3.598 20 10 GHCDHN Oc1cc2c(cc1CN1CCN(c3ncnc4sccc43)CC1)CCCC2 ZINC000768441332 873307651 /nfs/dbraw/zinc/30/76/51/873307651.db2.gz JNUWONJNNNLSCT-UHFFFAOYSA-N 0 3 380.517 3.598 20 10 GHCDHN C[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1O ZINC001197003444 873522539 /nfs/dbraw/zinc/52/25/39/873522539.db2.gz GZYTWTSNQIGKNC-GFCCVEGCSA-N 0 3 398.444 3.713 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1[O-] ZINC001197003444 873522553 /nfs/dbraw/zinc/52/25/53/873522553.db2.gz GZYTWTSNQIGKNC-GFCCVEGCSA-N 0 3 398.444 3.713 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3ccc(F)c(F)c3)CC1)[C@H](O)CO2 ZINC000768908476 873673730 /nfs/dbraw/zinc/67/37/30/873673730.db2.gz RXAWVYPOFOEEBS-HXUWFJFHSA-N 0 3 375.415 3.551 20 10 GHCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000769556661 874157062 /nfs/dbraw/zinc/15/70/62/874157062.db2.gz QEZIJCPIRXHYJG-MRXNPFEDSA-N 0 3 386.492 3.974 20 10 GHCDHN COc1cccc(CN2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)c1O ZINC000770304251 874586947 /nfs/dbraw/zinc/58/69/47/874586947.db2.gz BSRQOEFSLLGYQB-NRFANRHFSA-N 0 3 390.483 3.948 20 10 GHCDHN COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000776002358 875099342 /nfs/dbraw/zinc/09/93/42/875099342.db2.gz SUWVFDXPYYDIFJ-YLJYHZDGSA-N 0 3 398.503 3.928 20 10 GHCDHN C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170010 875688805 /nfs/dbraw/zinc/68/88/05/875688805.db2.gz HTERIQLBHHKYIT-WMZOPIPTSA-N 0 3 394.943 3.903 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1[O-] ZINC000776251856 876031125 /nfs/dbraw/zinc/03/11/25/876031125.db2.gz FRJQSHYKTLUYQO-UHFFFAOYSA-N 0 3 383.330 3.638 20 10 GHCDHN CN(C)c1ccc([C@@H](CN[C@H]2CCCn3nccc32)NC(=O)OC(C)(C)C)cc1 ZINC000850454459 876937110 /nfs/dbraw/zinc/93/71/10/876937110.db2.gz JRFBVACPCXNQNV-RBUKOAKNSA-N 0 3 399.539 3.640 20 10 GHCDHN COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000850482505 876956755 /nfs/dbraw/zinc/95/67/55/876956755.db2.gz PHYTXXDWNFKUIT-YJBOKZPZSA-N 0 3 393.911 3.633 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)c([O-])c1 ZINC000787329513 877317187 /nfs/dbraw/zinc/31/71/87/877317187.db2.gz WGPHWLGKTGSDJS-UHFFFAOYSA-N 0 3 398.503 3.929 20 10 GHCDHN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(C)n1-c1ccccc1C ZINC000787679693 877551659 /nfs/dbraw/zinc/55/16/59/877551659.db2.gz XCBIXZPEBATHED-LJQANCHMSA-N 0 3 395.547 3.728 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000746724906 877798060 /nfs/dbraw/zinc/79/80/60/877798060.db2.gz SIHCBDRMADIESV-VQIMIIECSA-N 0 3 384.499 3.526 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000776699684 879394885 /nfs/dbraw/zinc/39/48/85/879394885.db2.gz IEOOWQOLDLKLNY-CQSZACIVSA-N 0 3 377.282 3.532 20 10 GHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)c([O-])c1 ZINC000792188340 880976477 /nfs/dbraw/zinc/97/64/77/880976477.db2.gz ODPRPEYDUZIEOM-HSZRJFAPSA-N 0 3 395.503 3.743 20 10 GHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)c([O-])c1 ZINC000792188340 880976491 /nfs/dbraw/zinc/97/64/91/880976491.db2.gz ODPRPEYDUZIEOM-HSZRJFAPSA-N 0 3 395.503 3.743 20 10 GHCDHN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC001183630892 912713425 /nfs/dbraw/zinc/71/34/25/912713425.db2.gz MNKYKSKOMMJTNJ-IBGZPJMESA-N 0 3 386.467 3.983 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000116446742 883501024 /nfs/dbraw/zinc/50/10/24/883501024.db2.gz GIKFKHLVBWVPFC-WBVHZDCISA-N 0 3 386.467 3.629 20 10 GHCDHN COCCOC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000116868903 883954011 /nfs/dbraw/zinc/95/40/11/883954011.db2.gz PORNERGQBCQXPW-UHFFFAOYSA-N 0 3 394.309 3.935 20 10 GHCDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000806634124 884887512 /nfs/dbraw/zinc/88/75/12/884887512.db2.gz DCJUPFAVBDLSAG-QFBILLFUSA-N 0 3 384.524 3.591 20 10 GHCDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914850268 884969913 /nfs/dbraw/zinc/96/99/13/884969913.db2.gz JFTNTGGPDRWOGH-UHFFFAOYSA-N 0 3 378.476 3.812 20 10 GHCDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccco1 ZINC000806846127 885022556 /nfs/dbraw/zinc/02/25/56/885022556.db2.gz DGBDSHLVBSKJCT-XLIONFOSSA-N 0 3 382.508 3.584 20 10 GHCDHN CCCN1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)c(OCC)c2)CC1 ZINC000807333395 885381767 /nfs/dbraw/zinc/38/17/67/885381767.db2.gz KJPOTNYFPFLJNQ-UHFFFAOYSA-N 0 3 389.521 3.637 20 10 GHCDHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000807622657 885579157 /nfs/dbraw/zinc/57/91/57/885579157.db2.gz ULXSZAUEBVEKSW-PGRDOPGGSA-N 0 3 380.536 3.557 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1[O-] ZINC000808717664 886700627 /nfs/dbraw/zinc/70/06/27/886700627.db2.gz KNEXNUIWCDWYMM-OAHLLOKOSA-N 0 3 381.925 3.662 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)c1ccc(N2CCOCC2)cc1 ZINC000795975815 913117222 /nfs/dbraw/zinc/11/72/22/913117222.db2.gz OIRAFBOZZOYEIP-CQSZACIVSA-N 0 3 376.403 3.696 20 10 GHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794595609 887663229 /nfs/dbraw/zinc/66/32/29/887663229.db2.gz SPVYHFKQDPLXQL-LJQANCHMSA-N 0 3 395.528 3.975 20 10 GHCDHN COc1ccccc1O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809711589 887730932 /nfs/dbraw/zinc/73/09/32/887730932.db2.gz ZOWBNDCUGMIMGZ-OAQYLSRUSA-N 0 3 382.504 3.575 20 10 GHCDHN C[C@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1O ZINC000868560270 889504039 /nfs/dbraw/zinc/50/40/39/889504039.db2.gz PQRFXWRPKYHNFK-GRTSSRMGSA-N 0 3 385.430 3.558 20 10 GHCDHN CCOc1cccc(CN2CCCC[C@@H]2COC(=O)NC2CCCC2)c1O ZINC000811511286 889705120 /nfs/dbraw/zinc/70/51/20/889705120.db2.gz XBFNZCUBYOFASA-GOSISDBHSA-N 0 3 376.497 3.814 20 10 GHCDHN C[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(N(C)C)cc1 ZINC000154216646 890313158 /nfs/dbraw/zinc/31/31/58/890313158.db2.gz SUGMVSRPJSQRLQ-HTAPYJJXSA-N 0 3 381.520 3.512 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000717048684 890985821 /nfs/dbraw/zinc/98/58/21/890985821.db2.gz NSTLNZPZNWECCH-LSDHHAIUSA-N 0 3 382.451 3.861 20 10 GHCDHN COc1ccc(CNCc2cc(C)nc(N3CCCC3)c2)cc1Cn1cccn1 ZINC000873127899 891476859 /nfs/dbraw/zinc/47/68/59/891476859.db2.gz WCTNNDCYTXLDKD-UHFFFAOYSA-N 0 3 391.519 3.533 20 10 GHCDHN C[C@@H](CCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881821 893502888 /nfs/dbraw/zinc/50/28/88/893502888.db2.gz IBULZZISFYQYCL-JTSKRJEESA-N 0 3 385.527 3.880 20 10 GHCDHN C[C@H](CCc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881822 893503224 /nfs/dbraw/zinc/50/32/24/893503224.db2.gz IBULZZISFYQYCL-VGOFRKELSA-N 0 3 385.527 3.880 20 10 GHCDHN COc1cccc(O)c1CN1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000877753127 893790540 /nfs/dbraw/zinc/79/05/40/893790540.db2.gz NBXVYDJSVHUWSB-UHFFFAOYSA-N 0 3 390.549 3.724 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000877753127 893790550 /nfs/dbraw/zinc/79/05/50/893790550.db2.gz NBXVYDJSVHUWSB-UHFFFAOYSA-N 0 3 390.549 3.724 20 10 GHCDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001135613407 894890560 /nfs/dbraw/zinc/89/05/60/894890560.db2.gz UNBLTOFUJUFNCK-MRXNPFEDSA-N 0 3 382.485 3.879 20 10 GHCDHN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000816575367 894953565 /nfs/dbraw/zinc/95/35/65/894953565.db2.gz KVFIVWYOERKRAY-XMMPIXPASA-N 0 3 376.500 3.614 20 10 GHCDHN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000816575367 894953572 /nfs/dbraw/zinc/95/35/72/894953572.db2.gz KVFIVWYOERKRAY-XMMPIXPASA-N 0 3 376.500 3.614 20 10 GHCDHN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC000816949842 895209269 /nfs/dbraw/zinc/20/92/69/895209269.db2.gz GKTZUBYLXHDZIV-KKSFZXQISA-N 0 3 377.492 3.944 20 10 GHCDHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817971882 895987896 /nfs/dbraw/zinc/98/78/96/895987896.db2.gz QMUUEEYKFSRYRH-ZDMBXUJBSA-N 0 3 392.135 3.566 20 10 GHCDHN CN1CCN(CCCSc2ncc(-c3ccccc3)n2Cc2ccco2)CC1 ZINC000130330688 897058839 /nfs/dbraw/zinc/05/88/39/897058839.db2.gz YGFZTBOEBQOTDW-UHFFFAOYSA-N 0 3 396.560 3.921 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000883290365 897456266 /nfs/dbraw/zinc/45/62/66/897456266.db2.gz SIZIURPUOMKWJO-DEOSSOPVSA-N 0 3 390.506 3.852 20 10 GHCDHN CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccccc1[O-] ZINC000155642103 898966669 /nfs/dbraw/zinc/96/66/69/898966669.db2.gz CXZLFSSOFGKCPW-KRWDZBQOSA-N 0 3 396.578 3.768 20 10 GHCDHN C[C@H](CN(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000823399454 899011332 /nfs/dbraw/zinc/01/13/32/899011332.db2.gz DUKOLQBNMRIABK-QGZVFWFLSA-N 0 3 386.561 3.924 20 10 GHCDHN CC[C@](C)(C(=O)OC)N(Cc1ccc(N2CCC(OC)CC2)cc1)CC1CC1 ZINC000823502783 899069179 /nfs/dbraw/zinc/06/91/79/899069179.db2.gz GJLVEZPJSQMSPD-HSZRJFAPSA-N 0 3 388.552 3.856 20 10 GHCDHN C[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120977783 899926280 /nfs/dbraw/zinc/92/62/80/899926280.db2.gz BHGBMIRDLPTWST-MRXNPFEDSA-N 0 3 389.490 3.714 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)nc1 ZINC000289920150 914423418 /nfs/dbraw/zinc/42/34/18/914423418.db2.gz VCSHPPDDGAHMHK-CQSZACIVSA-N 0 3 376.298 3.532 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC000844710812 901189187 /nfs/dbraw/zinc/18/91/87/901189187.db2.gz MGHQQTYVDHSCQX-INIZCTEOSA-N 0 3 384.476 3.857 20 10 GHCDHN O=C(NCc1cc(Cl)ccc1O)NC[C@H](c1cccs1)N1CCCC1 ZINC000844858650 901365980 /nfs/dbraw/zinc/36/59/80/901365980.db2.gz LZLNFHFQBSSKLG-OAHLLOKOSA-N 0 3 379.913 3.743 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000158646896 901943351 /nfs/dbraw/zinc/94/33/51/901943351.db2.gz YIQSPUIVMDDYCY-OAQYLSRUSA-N 0 3 392.471 3.567 20 10 GHCDHN COc1c([O-])c(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)ccc1[N+](=O)[O-] ZINC000775031192 914635352 /nfs/dbraw/zinc/63/53/52/914635352.db2.gz ZFEMQXSGXGOCQH-LLVKDONJSA-N 0 3 385.203 3.839 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1[O-] ZINC000779002505 902695401 /nfs/dbraw/zinc/69/54/01/902695401.db2.gz INRHRJPNXUAWSJ-HIFRSBDPSA-N 0 3 380.282 3.554 20 10 GHCDHN CCCN(CCC)c1ccc(CNCc2ccc(-c3nncnn3)cc2)cc1 ZINC000846100108 902714899 /nfs/dbraw/zinc/71/48/99/902714899.db2.gz HRHILZVDEWCTNS-UHFFFAOYSA-N 0 3 376.508 3.850 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1[O-] ZINC000779018515 902932171 /nfs/dbraw/zinc/93/21/71/902932171.db2.gz OKWTWUZLQFDPPE-LLVKDONJSA-N 0 3 377.273 3.843 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1[O-] ZINC000779026311 903154608 /nfs/dbraw/zinc/15/46/08/903154608.db2.gz AXXIGZVXJRTFKG-ZDUSSCGKSA-N 0 3 383.330 3.905 20 10 GHCDHN COc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1F ZINC001177334098 908530760 /nfs/dbraw/zinc/53/07/60/908530760.db2.gz JVEHLWPZLWDRRG-GASCZTMLSA-N 0 3 376.447 3.877 20 10 GHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CCS2 ZINC000191498041 908632674 /nfs/dbraw/zinc/63/26/74/908632674.db2.gz GEHILKAIENHWTA-LJQANCHMSA-N 0 3 388.508 3.998 20 10 GHCDHN COc1cc(C)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)n1 ZINC001177811165 908766119 /nfs/dbraw/zinc/76/61/19/908766119.db2.gz VBNVNNYSXCRKHB-SFHVURJKSA-N 0 3 389.927 3.820 20 10 GHCDHN CN(C)c1cc(F)c(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1F ZINC001177864626 908782218 /nfs/dbraw/zinc/78/22/18/908782218.db2.gz NIUUZXBVGLLFNW-HXUWFJFHSA-N 0 3 383.483 3.814 20 10 GHCDHN CN(C)C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000801736955 921438848 /nfs/dbraw/zinc/43/88/48/921438848.db2.gz YGUDTCHGPLGDFM-HXUWFJFHSA-N 0 3 391.918 3.708 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2ccc(F)c(F)c2n1 ZINC001180364436 910123748 /nfs/dbraw/zinc/12/37/48/910123748.db2.gz SSXBTXHISQTPFX-UHFFFAOYSA-N 0 3 383.442 3.982 20 10 GHCDHN CS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])c1 ZINC001181787402 910988441 /nfs/dbraw/zinc/98/84/41/910988441.db2.gz SFBDMDPQKKFJNF-UHFFFAOYSA-N 0 3 397.496 3.665 20 10 GHCDHN CS(=O)(=O)c1cccc(CNCc2ccc(OCc3ccccc3)cc2O)c1 ZINC001181787402 910988453 /nfs/dbraw/zinc/98/84/53/910988453.db2.gz SFBDMDPQKKFJNF-UHFFFAOYSA-N 0 3 397.496 3.665 20 10 GHCDHN C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950090 911187482 /nfs/dbraw/zinc/18/74/82/911187482.db2.gz RREYQOFUFFJMSW-KOLCDFICSA-N 0 3 392.135 3.710 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1[O-] ZINC000284628710 911959668 /nfs/dbraw/zinc/95/96/68/911959668.db2.gz NCCQYOVBHOZVIC-YJBOKZPZSA-N 0 3 394.313 3.860 20 10 GHCDHN CC(C)OC(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775258458 916690816 /nfs/dbraw/zinc/69/08/16/916690816.db2.gz BEAKWQVWKKKKPS-SFHVURJKSA-N 0 3 382.504 3.939 20 10 GHCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000775258175 916694567 /nfs/dbraw/zinc/69/45/67/916694567.db2.gz SFDSRTHFJZVNKG-JTSKRJEESA-N 0 3 397.519 3.600 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1[O-] ZINC000796486008 917715196 /nfs/dbraw/zinc/71/51/96/917715196.db2.gz PEZYXGCJYLKGMJ-SJCJKPOMSA-N 0 3 380.282 3.683 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1O ZINC000113359264 919366312 /nfs/dbraw/zinc/36/63/12/919366312.db2.gz IUGUQFCVRZQGTO-QGZVFWFLSA-N 0 3 376.884 3.514 20 10 GHCDHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000367569405 922208053 /nfs/dbraw/zinc/20/80/53/922208053.db2.gz HSOBFFUVHCAVLE-JTSKRJEESA-N 0 3 379.504 3.672 20 10 GHCDHN C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000903379957 922977294 /nfs/dbraw/zinc/97/72/94/922977294.db2.gz JKJPWCGFVJLFBP-CXAGYDPISA-N 0 3 378.314 3.893 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(c3ccccc3)CC(O)(C(F)(F)F)C1)CC2 ZINC000903399917 922991505 /nfs/dbraw/zinc/99/15/05/922991505.db2.gz QERFPUFBWGFNBD-PBPGXSGUSA-N 0 3 377.406 3.994 20 10 GHCDHN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000903450692 923035357 /nfs/dbraw/zinc/03/53/57/923035357.db2.gz LBMJUYSEMHRYGT-LOWVWBTDSA-N 0 3 386.286 3.546 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1[O-] ZINC000827832236 926058972 /nfs/dbraw/zinc/05/89/72/926058972.db2.gz LURZBQYKINVAHK-CQSZACIVSA-N 0 3 390.199 3.704 20 10 GHCDHN CCOc1ccc(O)c(CNCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000725850596 926467380 /nfs/dbraw/zinc/46/73/80/926467380.db2.gz CWCFDYWYIOXZRJ-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN CCOc1cccc(CN[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c1O ZINC000725850938 926468290 /nfs/dbraw/zinc/46/82/90/926468290.db2.gz HHHBROAPNPATDW-MRXNPFEDSA-N 0 3 383.492 3.508 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000753569424 929423774 /nfs/dbraw/zinc/42/37/74/929423774.db2.gz DWJSUNMZGMUHTG-GGAORHGYSA-N 0 3 393.483 3.545 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000757864244 929830979 /nfs/dbraw/zinc/83/09/79/929830979.db2.gz OMSDMBCZIYHDLK-MRXNPFEDSA-N 0 3 383.492 3.508 20 10 GHCDHN Cc1oc2ccccc2c1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925056006 931627013 /nfs/dbraw/zinc/62/70/13/931627013.db2.gz RLXLRVLDELGBBA-MRXNPFEDSA-N 0 3 398.528 3.827 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3-n3ccc(C)n3)c2)CC1 ZINC000828754889 935702513 /nfs/dbraw/zinc/70/25/13/935702513.db2.gz FQLKJRWWRFWCLF-UHFFFAOYSA-N 0 3 389.503 3.575 20 10 GHCDHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137858948 935829865 /nfs/dbraw/zinc/82/98/65/935829865.db2.gz BJDAQKUOCHASJQ-JOCHJYFZSA-N 0 3 383.536 3.553 20 10 GHCDHN CCO[C@@H]1C[C@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1(C)C ZINC001204239538 1032683332 /nfs/dbraw/zinc/68/33/32/1032683332.db2.gz WQKIOPAAERPSMP-ZWKOTPCHSA-N 0 3 376.472 3.739 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c1[O-] ZINC000834914363 1021678294 /nfs/dbraw/zinc/67/82/94/1021678294.db2.gz UERJRZROFUQQLC-NOLJZWGESA-N 0 3 394.313 3.768 20 10 GHCDHN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCC(F)(F)CC3)cc2)CC1 ZINC001140473815 1021769839 /nfs/dbraw/zinc/76/98/39/1021769839.db2.gz GOHAITVMKCMECG-UHFFFAOYSA-N 0 3 395.494 3.975 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)c2cc(C)ccc21 ZINC001140949600 1022970742 /nfs/dbraw/zinc/97/07/42/1022970742.db2.gz FMZLTLIBIIIFNS-NRFANRHFSA-N 0 3 393.531 3.917 20 10 GHCDHN Cc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c([O-])c1 ZINC001140950086 1022971659 /nfs/dbraw/zinc/97/16/59/1022971659.db2.gz MFIDVDDMOSZFEF-HXUWFJFHSA-N 0 3 398.478 3.707 20 10 GHCDHN Cc1ccc(C[N@H+]2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)c([O-])c1 ZINC001140950086 1022971662 /nfs/dbraw/zinc/97/16/62/1022971662.db2.gz MFIDVDDMOSZFEF-HXUWFJFHSA-N 0 3 398.478 3.707 20 10 GHCDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c([O-])c1 ZINC001140950402 1022972561 /nfs/dbraw/zinc/97/25/61/1022972561.db2.gz RZJOCRQMYHWSSC-QHCPKHFHSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c([O-])c1 ZINC001140950402 1022972563 /nfs/dbraw/zinc/97/25/63/1022972563.db2.gz RZJOCRQMYHWSSC-QHCPKHFHSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001140950502 1022973254 /nfs/dbraw/zinc/97/32/54/1022973254.db2.gz WEPKQEMQGIPXDY-HSZRJFAPSA-N 0 3 382.479 3.854 20 10 GHCDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001140950502 1022973255 /nfs/dbraw/zinc/97/32/55/1022973255.db2.gz WEPKQEMQGIPXDY-HSZRJFAPSA-N 0 3 382.479 3.854 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c(OC)c1 ZINC001141032156 1023299233 /nfs/dbraw/zinc/29/92/33/1023299233.db2.gz UJWCOZOERXJUHU-LSDHHAIUSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c(OC)c1 ZINC001141032156 1023299239 /nfs/dbraw/zinc/29/92/39/1023299239.db2.gz UJWCOZOERXJUHU-LSDHHAIUSA-N 0 3 394.512 3.535 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)c(OC)c1 ZINC001141034947 1023326931 /nfs/dbraw/zinc/32/69/31/1023326931.db2.gz WNVXRIICMOCNNR-GOSISDBHSA-N 0 3 383.488 3.948 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035032 1023327873 /nfs/dbraw/zinc/32/78/73/1023327873.db2.gz ZOFDTMMUCGZGMK-JPYJTQIMSA-N 0 3 383.488 3.948 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c(OC)c1 ZINC001141035032 1023327881 /nfs/dbraw/zinc/32/78/81/1023327881.db2.gz ZOFDTMMUCGZGMK-JPYJTQIMSA-N 0 3 383.488 3.948 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]21 ZINC001141075340 1023435282 /nfs/dbraw/zinc/43/52/82/1023435282.db2.gz NMIDIWNQUYNGJP-SFTDATJTSA-N 0 3 397.563 3.827 20 10 GHCDHN Fc1ccc(OC2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)nc1 ZINC001141079092 1023445178 /nfs/dbraw/zinc/44/51/78/1023445178.db2.gz SGIMVXLVFVHFGX-UHFFFAOYSA-N 0 3 381.495 3.963 20 10 GHCDHN Cc1ccnc(O[C@@H]2CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)n1 ZINC001141079206 1023445369 /nfs/dbraw/zinc/44/53/69/1023445369.db2.gz WQGDGGCOSQUNTH-OAQYLSRUSA-N 0 3 378.520 3.527 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000756031832 1023485722 /nfs/dbraw/zinc/48/57/22/1023485722.db2.gz BREZVWIOLDWPDH-BGJPBQGDSA-N 0 3 398.322 3.752 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756355961 1023603117 /nfs/dbraw/zinc/60/31/17/1023603117.db2.gz XWBOGMWDOJCPHI-VNQPRFMTSA-N 0 3 376.497 3.804 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756355951 1023603190 /nfs/dbraw/zinc/60/31/90/1023603190.db2.gz XWBOGMWDOJCPHI-BMFZPTHFSA-N 0 3 376.497 3.804 20 10 GHCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000756606163 1023734460 /nfs/dbraw/zinc/73/44/60/1023734460.db2.gz WDGXDMOPCPZYSB-HOYKHHGWSA-N 0 3 376.500 3.833 20 10 GHCDHN Oc1c(F)cccc1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001138127826 1024175632 /nfs/dbraw/zinc/17/56/32/1024175632.db2.gz RAHBHQYDWKZVQB-UHFFFAOYSA-N 0 3 379.273 3.612 20 10 GHCDHN Cc1c(CN(C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2n1C ZINC001138252580 1024471990 /nfs/dbraw/zinc/47/19/90/1024471990.db2.gz MMQZAKAJCCXUHV-KRWDZBQOSA-N 0 3 387.524 3.554 20 10 GHCDHN Cc1c(CN(C)C[C@H]2CN(Cc3ccccc3)CCO2)c2ccccc2n1C ZINC001138259148 1024488609 /nfs/dbraw/zinc/48/86/09/1024488609.db2.gz CNZCSQSZCRPUEI-NRFANRHFSA-N 0 3 377.532 3.820 20 10 GHCDHN CN1CCCc2cc(CN3C[C@@H]4CCN(C(=O)c5cccc(F)c5)[C@@H]4C3)ccc21 ZINC001138355940 1024720243 /nfs/dbraw/zinc/72/02/43/1024720243.db2.gz CEWBMJDIBCNKTA-NZQKXSOJSA-N 0 3 393.506 3.555 20 10 GHCDHN CN1CCCc2cc(CN3CCC[C@@H](c4noc(C(F)(F)F)n4)C3)ccc21 ZINC001138357521 1024721844 /nfs/dbraw/zinc/72/18/44/1024721844.db2.gz HXTXKWQGDCZHTE-OAHLLOKOSA-N 0 3 380.414 3.850 20 10 GHCDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146460 1025642430 /nfs/dbraw/zinc/64/24/30/1025642430.db2.gz IMUYECJKPZXRIQ-HYXAFXHYSA-N 0 3 389.402 3.513 20 10 GHCDHN COCOc1ccc(C)cc1NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001164334712 1026489476 /nfs/dbraw/zinc/48/94/76/1026489476.db2.gz YSVFAJKAAWVOGQ-UHFFFAOYSA-N 0 3 399.535 3.611 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccccc4F)C3)C2)cc1 ZINC001203348464 1027285819 /nfs/dbraw/zinc/28/58/19/1027285819.db2.gz PHPULKQURBNFFA-HSZRJFAPSA-N 0 3 384.495 3.953 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccccc4[O-])C3)C2)cc1 ZINC001203551706 1027429887 /nfs/dbraw/zinc/42/98/87/1027429887.db2.gz LDBHOGJUKDRPCL-QHCPKHFHSA-N 0 3 382.504 3.520 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccccc4[O-])C3)C2)cc1 ZINC001203551706 1027429892 /nfs/dbraw/zinc/42/98/92/1027429892.db2.gz LDBHOGJUKDRPCL-QHCPKHFHSA-N 0 3 382.504 3.520 20 10 GHCDHN COc1cccc(C[N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC001203595937 1027461028 /nfs/dbraw/zinc/46/10/28/1027461028.db2.gz SJFKHHYCRWZYFZ-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN COc1cccc(C[N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC001203595937 1027461042 /nfs/dbraw/zinc/46/10/42/1027461042.db2.gz SJFKHHYCRWZYFZ-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001203621386 1027484713 /nfs/dbraw/zinc/48/47/13/1027484713.db2.gz CMJIYLLGBDXSSN-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001203621386 1027484719 /nfs/dbraw/zinc/48/47/19/1027484719.db2.gz CMJIYLLGBDXSSN-OAQYLSRUSA-N 0 3 376.497 3.624 20 10 GHCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000840761009 1027804823 /nfs/dbraw/zinc/80/48/23/1027804823.db2.gz NFZQNPBHYOGRTM-MRXNPFEDSA-N 0 3 398.457 3.838 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C(=O)NCc4ccccc4)C3)c2c1 ZINC000842633618 1029440458 /nfs/dbraw/zinc/44/04/58/1029440458.db2.gz BVOOVPWQDDYNQR-IBGZPJMESA-N 0 3 390.483 3.692 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C(=O)NCc4ccccc4)C3)c2c1 ZINC000842633618 1029440462 /nfs/dbraw/zinc/44/04/62/1029440462.db2.gz BVOOVPWQDDYNQR-IBGZPJMESA-N 0 3 390.483 3.692 20 10 GHCDHN CNC(=O)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000842929366 1029694161 /nfs/dbraw/zinc/69/41/61/1029694161.db2.gz PJEGZTPGTDJUOM-DZGCQCFKSA-N 0 3 380.410 3.667 20 10 GHCDHN c1[nH]nc2cccc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)c12 ZINC001143101239 1029841718 /nfs/dbraw/zinc/84/17/18/1029841718.db2.gz CJSCDEGMCGRPNC-UHFFFAOYSA-N 0 3 399.498 3.859 20 10 GHCDHN COc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1Cn1cccn1 ZINC001461673114 1069669761 /nfs/dbraw/zinc/66/97/61/1069669761.db2.gz QPZDOARBUYKWFZ-CQSZACIVSA-N 0 3 378.432 3.638 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1Cn1cccn1 ZINC001461673111 1069670137 /nfs/dbraw/zinc/67/01/37/1069670137.db2.gz QPZDOARBUYKWFZ-AWEZNQCLSA-N 0 3 378.432 3.638 20 10 GHCDHN c1ccn(-c2ccc(-c3nnc(C[C@@H]4CN(Cc5ccccc5)CCN4)o3)cc2)c1 ZINC001217698856 1030614913 /nfs/dbraw/zinc/61/49/13/1030614913.db2.gz LDESPKSEYQDFQP-OAQYLSRUSA-N 0 3 399.498 3.544 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)N(C)C)cc1 ZINC001218818831 1031095614 /nfs/dbraw/zinc/09/56/14/1031095614.db2.gz MGNVJKQAIFOXGU-KNQAVFIVSA-N 0 3 396.535 3.681 20 10 GHCDHN CO[C@@H]1CCN[C@H](C(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)C1 ZINC001219203640 1031303811 /nfs/dbraw/zinc/30/38/11/1031303811.db2.gz KYOBGXKIMBBZMO-YYHIUQKOSA-N 0 3 379.504 3.629 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001220212630 1031840305 /nfs/dbraw/zinc/84/03/05/1031840305.db2.gz QMTOUAJZAADMNU-RDJZCZTQSA-N 0 3 395.890 3.603 20 10 GHCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Br)c(C)cc1O ZINC001277427716 1033768062 /nfs/dbraw/zinc/76/80/62/1033768062.db2.gz UYGYKPPYNGOQKE-IAGOWNOFSA-N 0 3 395.341 3.829 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001231586530 1034737597 /nfs/dbraw/zinc/73/75/97/1034737597.db2.gz BXKZYGZMXXRDRY-SFHVURJKSA-N 0 3 375.472 3.874 20 10 GHCDHN CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231587416 1034738931 /nfs/dbraw/zinc/73/89/31/1034738931.db2.gz CGVFEKXHRVTNKD-OAQYLSRUSA-N 0 3 396.531 3.642 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001231587837 1034742531 /nfs/dbraw/zinc/74/25/31/1034742531.db2.gz ZTWBIVGKSPOWJC-DEOSSOPVSA-N 0 3 389.499 3.812 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001231587837 1034742544 /nfs/dbraw/zinc/74/25/44/1034742544.db2.gz ZTWBIVGKSPOWJC-DEOSSOPVSA-N 0 3 389.499 3.812 20 10 GHCDHN Cc1cc(C)c(CN2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c(O)c1 ZINC001231845897 1034939508 /nfs/dbraw/zinc/93/95/08/1034939508.db2.gz UALPBRPKFGZBQP-HSZRJFAPSA-N 0 3 393.487 3.759 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1C ZINC001231849752 1034941870 /nfs/dbraw/zinc/94/18/70/1034941870.db2.gz YEKJTASIXBXOMI-IRXDYDNUSA-N 0 3 391.556 3.886 20 10 GHCDHN Cc1cc([O-])c(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)cc1Cl ZINC001231868720 1034955397 /nfs/dbraw/zinc/95/53/97/1034955397.db2.gz FRCHLEUSUSUAGY-UHFFFAOYSA-N 0 3 388.943 3.718 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@@H](C)[C@H]2C)c1O ZINC001248401184 1035813888 /nfs/dbraw/zinc/81/38/88/1035813888.db2.gz QNWXQXRIPYTEFS-GHMZBOCLSA-N 0 3 375.250 3.626 20 10 GHCDHN CSC1CCC(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001248686413 1036053292 /nfs/dbraw/zinc/05/32/92/1036053292.db2.gz UCKCLKOPAKQAGP-GQOXECLESA-N 0 3 392.613 3.576 20 10 GHCDHN COC(=O)c1c(CN2CCC(Cc3ccncc3)CC2)c2ccccc2n1C ZINC001232403913 1038187723 /nfs/dbraw/zinc/18/77/23/1038187723.db2.gz FFBBDNYZXYMSPH-UHFFFAOYSA-N 0 3 377.488 3.815 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cnc(C)cc4C)C3)C2)cc1 ZINC001233006674 1038767054 /nfs/dbraw/zinc/76/70/54/1038767054.db2.gz UATBNBSWWXBWGW-XMMPIXPASA-N 0 3 395.547 3.826 20 10 GHCDHN CCc1noc([C@H]2CCC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)n1 ZINC001233110090 1038898717 /nfs/dbraw/zinc/89/87/17/1038898717.db2.gz SDDAVQVYUPEVDT-LBPRGKRZSA-N 0 3 380.286 3.788 20 10 GHCDHN CCc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)n1 ZINC001233110090 1038898737 /nfs/dbraw/zinc/89/87/37/1038898737.db2.gz SDDAVQVYUPEVDT-LBPRGKRZSA-N 0 3 380.286 3.788 20 10 GHCDHN CCc1noc([C@H]2CCCN(Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233110090 1038898745 /nfs/dbraw/zinc/89/87/45/1038898745.db2.gz SDDAVQVYUPEVDT-LBPRGKRZSA-N 0 3 380.286 3.788 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)CCCC(=O)c2cccnc2)c1[O-] ZINC001233110274 1038901060 /nfs/dbraw/zinc/90/10/60/1038901060.db2.gz JEEZHPNLHSCZNV-UHFFFAOYSA-N 0 3 377.282 3.953 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCCC(=O)c2cccnc2)c1[O-] ZINC001233110274 1038901064 /nfs/dbraw/zinc/90/10/64/1038901064.db2.gz JEEZHPNLHSCZNV-UHFFFAOYSA-N 0 3 377.282 3.953 20 10 GHCDHN CC(=O)N(C(C)C)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233111495 1038901917 /nfs/dbraw/zinc/90/19/17/1038901917.db2.gz QFOXGHVDLGXIBI-UHFFFAOYSA-N 0 3 383.330 3.684 20 10 GHCDHN CN1CCC[C@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195705 1038962128 /nfs/dbraw/zinc/96/21/28/1038962128.db2.gz ONHPKYQGPKSDJU-KSSFIOAISA-N 0 3 375.310 3.834 20 10 GHCDHN CN1CCC[C@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195705 1038962139 /nfs/dbraw/zinc/96/21/39/1038962139.db2.gz ONHPKYQGPKSDJU-KSSFIOAISA-N 0 3 375.310 3.834 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c1[O-] ZINC001233289695 1039070234 /nfs/dbraw/zinc/07/02/34/1039070234.db2.gz IBDQQINMRUEUEH-LJQANCHMSA-N 0 3 386.879 3.508 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C(=O)Oc4ccccc43)C2(C)C)c1[O-] ZINC001233290574 1039073322 /nfs/dbraw/zinc/07/33/22/1039073322.db2.gz KUWDKTCPUFIJOJ-NRFANRHFSA-N 0 3 387.863 3.896 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C(=O)Oc4ccccc43)C2(C)C)c1[O-] ZINC001233290574 1039073339 /nfs/dbraw/zinc/07/33/39/1039073339.db2.gz KUWDKTCPUFIJOJ-NRFANRHFSA-N 0 3 387.863 3.896 20 10 GHCDHN CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416339 1039272904 /nfs/dbraw/zinc/27/29/04/1039272904.db2.gz FDLYOYASUUWXKX-IBGZPJMESA-N 0 3 386.458 3.734 20 10 GHCDHN CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416339 1039272910 /nfs/dbraw/zinc/27/29/10/1039272910.db2.gz FDLYOYASUUWXKX-IBGZPJMESA-N 0 3 386.458 3.734 20 10 GHCDHN CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416339 1039272931 /nfs/dbraw/zinc/27/29/31/1039272931.db2.gz FDLYOYASUUWXKX-IBGZPJMESA-N 0 3 386.458 3.734 20 10 GHCDHN CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001233416339 1039272942 /nfs/dbraw/zinc/27/29/42/1039272942.db2.gz FDLYOYASUUWXKX-IBGZPJMESA-N 0 3 386.458 3.734 20 10 GHCDHN Oc1cc(O)c(CN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1O ZINC001233485261 1039381066 /nfs/dbraw/zinc/38/10/66/1039381066.db2.gz OOYMGKKKVQNCRI-UHFFFAOYSA-N 0 3 383.366 3.866 20 10 GHCDHN COc1cccc(N2CCN(Cc3cccc(OC(F)(F)F)c3O)CC2)c1 ZINC001233727455 1039571784 /nfs/dbraw/zinc/57/17/84/1039571784.db2.gz MWWSMDOGTQUERC-UHFFFAOYSA-N 0 3 382.382 3.622 20 10 GHCDHN CCOC(=O)CCC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233754217 1039590503 /nfs/dbraw/zinc/59/05/03/1039590503.db2.gz APSGDPHLXYGXKD-UHFFFAOYSA-N 0 3 375.387 3.846 20 10 GHCDHN O=C1CC2(CN1CC1CC1)CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233776177 1039607812 /nfs/dbraw/zinc/60/78/12/1039607812.db2.gz MGZJSTYOSGINEX-UHFFFAOYSA-N 0 3 398.425 3.515 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)c2c1 ZINC001234525389 1040101351 /nfs/dbraw/zinc/10/13/51/1040101351.db2.gz FEYQJKLPZKYTES-JXFKEZNVSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)c2c1 ZINC001234525389 1040101368 /nfs/dbraw/zinc/10/13/68/1040101368.db2.gz FEYQJKLPZKYTES-JXFKEZNVSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(C[C@H]4C(=O)NC4CCC4)CC3)c2c1 ZINC001234544328 1040115289 /nfs/dbraw/zinc/11/52/89/1040115289.db2.gz HGEKGTZLSSNIHM-NRFANRHFSA-N 0 3 394.515 3.825 20 10 GHCDHN CCOC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cn(CC)nc21 ZINC001234545211 1040116485 /nfs/dbraw/zinc/11/64/85/1040116485.db2.gz PFVACDNEEWOBEZ-SFHVURJKSA-N 0 3 395.503 3.906 20 10 GHCDHN CCOC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cn(CC)nc21 ZINC001234545211 1040116497 /nfs/dbraw/zinc/11/64/97/1040116497.db2.gz PFVACDNEEWOBEZ-SFHVURJKSA-N 0 3 395.503 3.906 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)c2c1 ZINC001234552580 1040121917 /nfs/dbraw/zinc/12/19/17/1040121917.db2.gz AOCSGRGGNMBWKI-UHFFFAOYSA-N 0 3 382.504 3.779 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4cc(Cl)ccn4)CC3)c2c1 ZINC001234552790 1040122176 /nfs/dbraw/zinc/12/21/76/1040122176.db2.gz IHFXOQCSLLSPBV-UHFFFAOYSA-N 0 3 383.879 3.925 20 10 GHCDHN O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234989107 1040485432 /nfs/dbraw/zinc/48/54/32/1040485432.db2.gz STTMFSTWWURLNN-BGYRXZFFSA-N 0 3 388.467 3.856 20 10 GHCDHN O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234989107 1040485435 /nfs/dbraw/zinc/48/54/35/1040485435.db2.gz STTMFSTWWURLNN-BGYRXZFFSA-N 0 3 388.467 3.856 20 10 GHCDHN CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998363 1040492293 /nfs/dbraw/zinc/49/22/93/1040492293.db2.gz FPZXDQIHQZXSAD-FQEVSTJZSA-N 0 3 382.504 3.519 20 10 GHCDHN CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998363 1040492306 /nfs/dbraw/zinc/49/23/06/1040492306.db2.gz FPZXDQIHQZXSAD-FQEVSTJZSA-N 0 3 382.504 3.519 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c1[O-] ZINC001255297174 1040940689 /nfs/dbraw/zinc/94/06/89/1040940689.db2.gz XMUNJYDWYCFGFD-TZMCWYRMSA-N 0 3 383.330 3.762 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001235483728 1040956388 /nfs/dbraw/zinc/95/63/88/1040956388.db2.gz GGIXQYHHVUIAND-OAQYLSRUSA-N 0 3 381.520 3.897 20 10 GHCDHN COc1cc(C)c(C[NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001462517197 1070321161 /nfs/dbraw/zinc/32/11/61/1070321161.db2.gz HDRNGILOOWMJCE-OAHLLOKOSA-N 0 3 378.513 3.834 20 10 GHCDHN CCOc1ccc(CN2CCN[C@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797968 1041298298 /nfs/dbraw/zinc/29/82/98/1041298298.db2.gz WLCUAPYISBDLBK-SFHVURJKSA-N 0 3 391.309 3.700 20 10 GHCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(Cl)c1 ZINC001236795491 1041899332 /nfs/dbraw/zinc/89/93/32/1041899332.db2.gz MTFFLFLLCDZGLG-ROUUACIJSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001236808298 1041909032 /nfs/dbraw/zinc/90/90/32/1041909032.db2.gz OWANIWKOGYCHSK-HZPDHXFCSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001236808298 1041909035 /nfs/dbraw/zinc/90/90/35/1041909035.db2.gz OWANIWKOGYCHSK-HZPDHXFCSA-N 0 3 378.513 3.834 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])C[C@]12CCN(c1cccnc1)C2=O ZINC001236828630 1041919959 /nfs/dbraw/zinc/91/99/59/1041919959.db2.gz DWNQTUQIVNNIEL-MZNJEOGPSA-N 0 3 387.483 3.815 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])C[C@]12CCN(c1cccnc1)C2=O ZINC001236828630 1041919964 /nfs/dbraw/zinc/91/99/64/1041919964.db2.gz DWNQTUQIVNNIEL-MZNJEOGPSA-N 0 3 387.483 3.815 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3C[C@@H]4CCC[C@H]4C3)cc2C1 ZINC001236843611 1041925540 /nfs/dbraw/zinc/92/55/40/1041925540.db2.gz PXLCMYBZZZIKLF-HOTGVXAUSA-N 0 3 388.508 3.754 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)c([O-])c1 ZINC001237040582 1042000723 /nfs/dbraw/zinc/00/07/23/1042000723.db2.gz HPJZZAUWRPXWTR-OAQYLSRUSA-N 0 3 394.515 3.629 20 10 GHCDHN CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237042558 1042003269 /nfs/dbraw/zinc/00/32/69/1042003269.db2.gz XQAFTCJWWMNQPU-BJWYYQGGSA-N 0 3 376.497 3.811 20 10 GHCDHN CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001237042558 1042003275 /nfs/dbraw/zinc/00/32/75/1042003275.db2.gz XQAFTCJWWMNQPU-BJWYYQGGSA-N 0 3 376.497 3.811 20 10 GHCDHN O=C1CCC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3[O-])CC2)N1CC1CC1 ZINC001237136503 1042058450 /nfs/dbraw/zinc/05/84/50/1042058450.db2.gz GGSKTHOWSVJIMH-UHFFFAOYSA-N 0 3 382.426 3.778 20 10 GHCDHN O=C1CCC2(CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)N1CC1CC1 ZINC001237136503 1042058451 /nfs/dbraw/zinc/05/84/51/1042058451.db2.gz GGSKTHOWSVJIMH-UHFFFAOYSA-N 0 3 382.426 3.778 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487670 1042230598 /nfs/dbraw/zinc/23/05/98/1042230598.db2.gz CYOVIQUZIAESFP-RPWUZVMVSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487670 1042230603 /nfs/dbraw/zinc/23/06/03/1042230603.db2.gz CYOVIQUZIAESFP-RPWUZVMVSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1cccc(O)c1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001237495250 1042235355 /nfs/dbraw/zinc/23/53/55/1042235355.db2.gz NXVUSMQYUWAPJU-CABCVRRESA-N 0 3 388.430 3.978 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237648936 1042303839 /nfs/dbraw/zinc/30/38/39/1042303839.db2.gz IMCWKKXENFHFDL-IBGZPJMESA-N 0 3 383.398 3.781 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237648936 1042303845 /nfs/dbraw/zinc/30/38/45/1042303845.db2.gz IMCWKKXENFHFDL-IBGZPJMESA-N 0 3 383.398 3.781 20 10 GHCDHN Cc1cc(O)c(CN2CCCN(c3ccc(F)cn3)CC2)cc1Br ZINC001237675833 1042317281 /nfs/dbraw/zinc/31/72/81/1042317281.db2.gz BSCQSBMDNSYLIT-UHFFFAOYSA-N 0 3 394.288 3.710 20 10 GHCDHN Cc1cc(O)c(CN2CCC[C@H](Oc3cccnc3)C2)cc1Br ZINC001237679046 1042321007 /nfs/dbraw/zinc/32/10/07/1042321007.db2.gz MNBRPCISEMUGLE-INIZCTEOSA-N 0 3 377.282 3.902 20 10 GHCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1Br ZINC001237680110 1042322194 /nfs/dbraw/zinc/32/21/94/1042322194.db2.gz YWWUYRUCRDADTD-UHFFFAOYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1ccc(O[C@H]2CCN(Cc3cc(Br)c(C)cc3O)C2)nc1 ZINC001237687092 1042327680 /nfs/dbraw/zinc/32/76/80/1042327680.db2.gz ZIJREKKHNLVOLH-HNNXBMFYSA-N 0 3 377.282 3.820 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1)c1ccc(F)cc1 ZINC001237941468 1042430713 /nfs/dbraw/zinc/43/07/13/1042430713.db2.gz WTZNXRNAQZYSJM-UHFFFAOYSA-N 0 3 380.822 3.718 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC001238065232 1042480452 /nfs/dbraw/zinc/48/04/52/1042480452.db2.gz SRRSPAQHQHIQQS-DOTOQJQBSA-N 0 3 396.478 3.915 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC001238065232 1042480454 /nfs/dbraw/zinc/48/04/54/1042480454.db2.gz SRRSPAQHQHIQQS-DOTOQJQBSA-N 0 3 396.478 3.915 20 10 GHCDHN COc1ccc(CC[C@@H](C)N2CCN(c3ccc(OC)cc3OC)CC2)cc1 ZINC001258405190 1044543089 /nfs/dbraw/zinc/54/30/89/1044543089.db2.gz CKRYVVCFVBPPSR-GOSISDBHSA-N 0 3 384.520 3.856 20 10 GHCDHN Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001304238883 1047623336 /nfs/dbraw/zinc/62/33/36/1047623336.db2.gz YEFYXHXHHIVABD-UHFFFAOYSA-N 0 3 398.599 3.567 20 10 GHCDHN Cc1ncsc1CN1CCC2(CN(Cc3ccc(N(C)C)cc3Cl)C2)C1 ZINC001279333800 1047771499 /nfs/dbraw/zinc/77/14/99/1047771499.db2.gz OPDRILNFDMWSBP-UHFFFAOYSA-N 0 3 390.984 3.879 20 10 GHCDHN COc1cc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c([O-])cc1Br ZINC001279672407 1047909059 /nfs/dbraw/zinc/90/90/59/1047909059.db2.gz GMFBDIKGNLJMQN-UHFFFAOYSA-N 0 3 395.341 3.614 20 10 GHCDHN COc1cc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c([O-])cc1Br ZINC001279672407 1047909061 /nfs/dbraw/zinc/90/90/61/1047909061.db2.gz GMFBDIKGNLJMQN-UHFFFAOYSA-N 0 3 395.341 3.614 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(c3cccc(F)c3)CCC2)N(C)C)cc1 ZINC001463278530 1070958055 /nfs/dbraw/zinc/95/80/55/1070958055.db2.gz FKHDMPYCHNQHTM-OAQYLSRUSA-N 0 3 383.511 3.733 20 10 GHCDHN CC(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463279639 1070959089 /nfs/dbraw/zinc/95/90/89/1070959089.db2.gz JHACAKPJZUHROL-PKTZIBPZSA-N 0 3 381.564 3.986 20 10 GHCDHN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)on2)cc1 ZINC001463283830 1070962418 /nfs/dbraw/zinc/96/24/18/1070962418.db2.gz QIDDWKSUAWWYLT-OAQYLSRUSA-N 0 3 392.503 3.749 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)N(C)C)cc1 ZINC001463284689 1070963383 /nfs/dbraw/zinc/96/33/83/1070963383.db2.gz ROOUJVNJKAKDDF-ZVDOUQERSA-N 0 3 387.474 3.553 20 10 GHCDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000731847418 1048918335 /nfs/dbraw/zinc/91/83/35/1048918335.db2.gz KICQQHWAGQMGNW-UHFFFAOYSA-N 0 3 399.447 3.692 20 10 GHCDHN CN(C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000731848437 1048919442 /nfs/dbraw/zinc/91/94/42/1048919442.db2.gz YCTXDSOUHICRHN-UHFFFAOYSA-N 0 3 383.448 3.708 20 10 GHCDHN CN(C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000731848437 1048919448 /nfs/dbraw/zinc/91/94/48/1048919448.db2.gz YCTXDSOUHICRHN-UHFFFAOYSA-N 0 3 383.448 3.708 20 10 GHCDHN CN(C(=O)CN(Cc1ccccc1O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000731848437 1048919452 /nfs/dbraw/zinc/91/94/52/1048919452.db2.gz YCTXDSOUHICRHN-UHFFFAOYSA-N 0 3 383.448 3.708 20 10 GHCDHN C[C@@H](CSc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001289600594 1049555955 /nfs/dbraw/zinc/55/59/55/1049555955.db2.gz ULVQGLRHXAWMAF-LAUBAEHRSA-N 0 3 385.577 3.900 20 10 GHCDHN Cc1cccc(N2CCN(CCCC[NH2+]Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC001308195912 1049908351 /nfs/dbraw/zinc/90/83/51/1049908351.db2.gz CPOLFAIQSNWXJB-UHFFFAOYSA-N 0 3 389.490 3.671 20 10 GHCDHN COc1cc(N2CCN(c3c(C)cnc4ccccc43)CC2)cc(OC)c1OC ZINC001323860494 1057024522 /nfs/dbraw/zinc/02/45/22/1057024522.db2.gz WIXZRGDXYGCPFW-UHFFFAOYSA-N 0 3 393.487 3.896 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1[O-] ZINC000848513054 1057142249 /nfs/dbraw/zinc/14/22/49/1057142249.db2.gz CTTCNEDBMSLKPG-WCQYABFASA-N 0 3 394.265 3.654 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1[O-] ZINC000848530374 1057151978 /nfs/dbraw/zinc/15/19/78/1057151978.db2.gz ZPTOERVFCWUEJQ-MLGOLLRUSA-N 0 3 380.282 3.938 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000848536292 1057157237 /nfs/dbraw/zinc/15/72/37/1057157237.db2.gz NIQKOBRATUWBIT-NSHDSACASA-N 0 3 395.253 3.965 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000848535930 1057157981 /nfs/dbraw/zinc/15/79/81/1057157981.db2.gz MBTMTRZJCCQDPL-BUXKBTBVSA-N 0 3 392.293 3.648 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1[O-] ZINC000848550974 1057172470 /nfs/dbraw/zinc/17/24/70/1057172470.db2.gz AMDFUFBGMXEOQM-LLVKDONJSA-N 0 3 390.281 3.901 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)cnc2Cl)N(C)C)cc1 ZINC001439959083 1058365750 /nfs/dbraw/zinc/36/57/50/1058365750.db2.gz BXBRHEJEORKLTR-IBGZPJMESA-N 0 3 386.927 3.711 20 10 GHCDHN Cc1nc2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2s1 ZINC001439959194 1058365840 /nfs/dbraw/zinc/36/58/40/1058365840.db2.gz CHFASZYBGKPQSB-IBGZPJMESA-N 0 3 382.533 3.703 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)N(C)C)cc1 ZINC001439960804 1058366838 /nfs/dbraw/zinc/36/68/38/1058366838.db2.gz OKPZDXZUIWAHKB-GIFXNVAJSA-N 0 3 391.559 3.766 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1CC1CC1 ZINC001456927024 1062920854 /nfs/dbraw/zinc/92/08/54/1062920854.db2.gz ACNUBQNMXNPVGA-QFIPXVFZSA-N 0 3 382.552 3.614 20 10 GHCDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC001468344155 1067694893 /nfs/dbraw/zinc/69/48/93/1067694893.db2.gz APGDGZPQKOSSGW-HXUWFJFHSA-N 0 3 396.531 3.903 20 10 GHCDHN COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(Cl)cc(F)c2[O-])cc1F ZINC000849350084 1067816410 /nfs/dbraw/zinc/81/64/10/1067816410.db2.gz PCAAHCZVJUGZRX-YOEHRIQHSA-N 0 3 382.838 3.568 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC001474731155 1074538011 /nfs/dbraw/zinc/53/80/11/1074538011.db2.gz DRIYKIHRQPWFEB-ZDUSSCGKSA-N 0 3 384.904 3.791 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC001474731155 1074538013 /nfs/dbraw/zinc/53/80/13/1074538013.db2.gz DRIYKIHRQPWFEB-ZDUSSCGKSA-N 0 3 384.904 3.791 20 10 GHCDHN CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825417595 608501680 /nfs/dbraw/zinc/50/16/80/608501680.db2.gz RVOJZMQEFBZHIB-NRFANRHFSA-N 0 3 376.508 3.880 20 10 GHCDHN CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825417595 608501681 /nfs/dbraw/zinc/50/16/81/608501681.db2.gz RVOJZMQEFBZHIB-NRFANRHFSA-N 0 3 376.508 3.880 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)c1 ZINC000163393006 834882982 /nfs/dbraw/zinc/88/29/82/834882982.db2.gz RILBIGXNDHBRMV-GOSISDBHSA-N 0 3 382.430 3.516 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c([O-])c1 ZINC000728595070 835043517 /nfs/dbraw/zinc/04/35/17/835043517.db2.gz PKRIAPYTOSITPO-MRXNPFEDSA-N 0 3 391.309 3.922 20 10 GHCDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000275351882 836854781 /nfs/dbraw/zinc/85/47/81/836854781.db2.gz ABJGPKVBKWOKOK-UNMCSNQZSA-N 0 3 393.487 3.807 20 10 GHCDHN CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1[O-] ZINC000155367928 836890762 /nfs/dbraw/zinc/89/07/62/836890762.db2.gz TXCSRWAVDJJFOE-LZJOCLMNSA-N 0 3 382.504 3.883 20 10 GHCDHN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000363817767 839082516 /nfs/dbraw/zinc/08/25/16/839082516.db2.gz HNJIHGINVOEXSA-JXFKEZNVSA-N 0 3 386.515 3.733 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823919 839161923 /nfs/dbraw/zinc/16/19/23/839161923.db2.gz WDYFHHCXDPDJLS-UYAOXDASSA-N 0 3 380.488 3.533 20 10 GHCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c([O-])c1O ZINC000182823919 839161930 /nfs/dbraw/zinc/16/19/30/839161930.db2.gz WDYFHHCXDPDJLS-UYAOXDASSA-N 0 3 380.488 3.533 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cscc2Br)N(C)C)cc1 ZINC000891249298 839324054 /nfs/dbraw/zinc/32/40/54/839324054.db2.gz QKNWLINVMATNFS-INIZCTEOSA-N 0 3 396.354 3.609 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCCO1 ZINC000759848282 840161902 /nfs/dbraw/zinc/16/19/02/840161902.db2.gz AMIAEZZWTGLAEK-OXQOHEQNSA-N 0 3 379.859 3.899 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CCCO1 ZINC000759848282 840161918 /nfs/dbraw/zinc/16/19/18/840161918.db2.gz AMIAEZZWTGLAEK-OXQOHEQNSA-N 0 3 379.859 3.899 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1F ZINC000731363849 861574413 /nfs/dbraw/zinc/57/44/13/861574413.db2.gz NIVXKBGCUVQQKX-NRFANRHFSA-N 0 3 386.515 3.774 20 10 GHCDHN OC[C@@H](NCc1ccccc1O)c1ccc(Br)cc1C(F)(F)F ZINC000280182137 846324594 /nfs/dbraw/zinc/32/45/94/846324594.db2.gz GUOJCMUMOYWFDB-CQSZACIVSA-N 0 3 390.199 3.997 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1N1CCC(O)CC1 ZINC000921745060 856264602 /nfs/dbraw/zinc/26/46/02/856264602.db2.gz QYQCLDXPTOADST-INIZCTEOSA-N 0 3 384.495 3.963 20 10 GHCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000733298659 862845311 /nfs/dbraw/zinc/84/53/11/862845311.db2.gz DLSWXZQELJFBRQ-KRWDZBQOSA-N 0 3 396.597 3.501 20 10 GHCDHN COc1cc(OC)cc(OCCC[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000761215299 859335472 /nfs/dbraw/zinc/33/54/72/859335472.db2.gz JKOONBOHGYGRCL-UHFFFAOYSA-N 0 3 381.856 3.630 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CSCCN(C)Cc2ccccc2)cc1 ZINC000840207302 859602152 /nfs/dbraw/zinc/60/21/52/859602152.db2.gz VAUBZTSIJZEHGU-UHFFFAOYSA-N 0 3 385.577 3.576 20 10 GHCDHN CC[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1OCC(=O)N1CCCC1 ZINC000054175974 863668106 /nfs/dbraw/zinc/66/81/06/863668106.db2.gz WBCSGJNPNBSNQA-NRFANRHFSA-N 0 3 394.515 3.864 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000734218472 864091104 /nfs/dbraw/zinc/09/11/04/864091104.db2.gz UIWMZXWNADOXFN-NRFANRHFSA-N 0 3 381.520 3.978 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000174371714 865738890 /nfs/dbraw/zinc/73/88/90/865738890.db2.gz QSVDMFSHRALEJD-MRXNPFEDSA-N 0 3 384.476 3.793 20 10 GHCDHN C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1[O-] ZINC000183512255 866821392 /nfs/dbraw/zinc/82/13/92/866821392.db2.gz CKXOZEURWCIENW-INIZCTEOSA-N 0 3 376.460 3.960 20 10 GHCDHN C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1[O-] ZINC000183534683 866833732 /nfs/dbraw/zinc/83/37/32/866833732.db2.gz HEYGRUTYSYIMSR-OAHLLOKOSA-N 0 3 394.562 3.522 20 10 GHCDHN Cc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c(C)n1-c1ccccn1 ZINC000742396331 867263151 /nfs/dbraw/zinc/26/31/51/867263151.db2.gz AXPKMTDVWOWFCT-OAQYLSRUSA-N 0 3 376.504 3.830 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@H](C)C3)ccc21 ZINC000553782237 868191718 /nfs/dbraw/zinc/19/17/18/868191718.db2.gz AZDBJSNQOSJEKH-YGKZAACZSA-N 0 3 397.563 3.707 20 10 GHCDHN C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)N(C)Cc1ccccc1 ZINC000743603978 868296721 /nfs/dbraw/zinc/29/67/21/868296721.db2.gz JYLSGHZMDMXCCU-QGZVFWFLSA-N 0 3 381.520 3.591 20 10 GHCDHN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000743817521 868441028 /nfs/dbraw/zinc/44/10/28/868441028.db2.gz YGVFGUWBHQAKQY-IBGZPJMESA-N 0 3 380.536 3.559 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C[C@H]1C(F)(F)F ZINC001168525255 882299325 /nfs/dbraw/zinc/29/93/25/882299325.db2.gz SQCPPIQQUHEMFR-OCCSQVGLSA-N 0 3 390.402 3.518 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1cccc(C)c1)C(C)(C)C)cc2=O ZINC000775523144 870296046 /nfs/dbraw/zinc/29/60/46/870296046.db2.gz FCXNGHRTPPTTLI-IBGZPJMESA-N 0 3 396.491 3.797 20 10 GHCDHN COc1ccc(Cn2nc(C)c(CNCc3ccc(N(C)C)cc3)c2C)cc1 ZINC000766419346 870745436 /nfs/dbraw/zinc/74/54/36/870745436.db2.gz RPBNCJQDBOHBNW-UHFFFAOYSA-N 0 3 378.520 3.913 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000069784410 871510774 /nfs/dbraw/zinc/51/07/74/871510774.db2.gz IYWVUYCHGIHDFX-QGZVFWFLSA-N 0 3 389.565 3.634 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)c2c1 ZINC000921188807 882677787 /nfs/dbraw/zinc/67/77/87/882677787.db2.gz QQOYPJXWMNRVRN-UHFFFAOYSA-N 0 3 383.879 3.925 20 10 GHCDHN COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000775732100 873271788 /nfs/dbraw/zinc/27/17/88/873271788.db2.gz LVBXWBUDZQLHEL-UHFFFAOYSA-N 0 3 391.895 3.981 20 10 GHCDHN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000775732100 873271794 /nfs/dbraw/zinc/27/17/94/873271794.db2.gz LVBXWBUDZQLHEL-UHFFFAOYSA-N 0 3 391.895 3.981 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)[C@H](O)CO2 ZINC000768439714 873304505 /nfs/dbraw/zinc/30/45/05/873304505.db2.gz MSPZGBFXZIAHRM-ORAYPTAESA-N 0 3 377.843 3.818 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)[C@H](O)CO2 ZINC000768439714 873304521 /nfs/dbraw/zinc/30/45/21/873304521.db2.gz MSPZGBFXZIAHRM-ORAYPTAESA-N 0 3 377.843 3.818 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Oc3ccccc3Cl)CC1)[C@H](O)CO2 ZINC000768463000 873328245 /nfs/dbraw/zinc/32/82/45/873328245.db2.gz PWKFYGPTCUHOSS-GOSISDBHSA-N 0 3 375.852 3.515 20 10 GHCDHN Oc1cc2c(cc1CN1CCC(Oc3ccccc3Cl)CC1)[C@H](O)CO2 ZINC000768463000 873328262 /nfs/dbraw/zinc/32/82/62/873328262.db2.gz PWKFYGPTCUHOSS-GOSISDBHSA-N 0 3 375.852 3.515 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cccc3cccnc32)N(C)C)cc1 ZINC001196883035 873427000 /nfs/dbraw/zinc/42/70/00/873427000.db2.gz UPPLRPGALNGZIX-FQEVSTJZSA-N 0 3 377.492 3.725 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528000782 873869109 /nfs/dbraw/zinc/86/91/09/873869109.db2.gz HLWKOPXOMSMRJH-SJKOYZFVSA-N 0 3 389.293 3.941 20 10 GHCDHN Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1[O-] ZINC000769496062 874101642 /nfs/dbraw/zinc/10/16/42/874101642.db2.gz VEJSNSZJAFMYGQ-UHFFFAOYSA-N 0 3 386.087 3.789 20 10 GHCDHN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000775837822 874333974 /nfs/dbraw/zinc/33/39/74/874333974.db2.gz UNUAGZGXYIQCKK-HJPURHCSSA-N 0 3 381.520 3.679 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775834147 874343992 /nfs/dbraw/zinc/34/39/92/874343992.db2.gz KPDNUACEVSFJHA-LBPRGKRZSA-N 0 3 376.844 3.604 20 10 GHCDHN CCC(=O)c1cc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)ccc1F ZINC000770142567 874493835 /nfs/dbraw/zinc/49/38/35/874493835.db2.gz BHJGYWCTEUAZNC-UHFFFAOYSA-N 0 3 383.467 3.813 20 10 GHCDHN Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(C)n1-c1ccccn1 ZINC000771508126 875303973 /nfs/dbraw/zinc/30/39/73/875303973.db2.gz MLGQDWDJSVSIGO-VGSWGCGISA-N 0 3 376.504 3.910 20 10 GHCDHN Cc1cc(Cl)cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1[O-] ZINC000776175148 875693230 /nfs/dbraw/zinc/69/32/30/875693230.db2.gz IKCUTQPCDGBENJ-UHFFFAOYSA-N 0 3 397.700 3.636 20 10 GHCDHN COc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1C ZINC001201889709 875907614 /nfs/dbraw/zinc/90/76/14/875907614.db2.gz RFSBAKCMUSSNIR-QGZVFWFLSA-N 0 3 392.421 3.913 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C(F)F)nc1 ZINC000850426674 876908873 /nfs/dbraw/zinc/90/88/73/876908873.db2.gz YCGSLULMFDIOFB-PBHICJAKSA-N 0 3 388.462 3.572 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1[O-] ZINC000850560071 877027302 /nfs/dbraw/zinc/02/73/02/877027302.db2.gz BPHUGFFNYQUYOA-SCLBCKFNSA-N 0 3 386.330 3.681 20 10 GHCDHN CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000109761718 877423704 /nfs/dbraw/zinc/42/37/04/877423704.db2.gz OTCMTXRWUFWACQ-OAQYLSRUSA-N 0 3 396.487 3.605 20 10 GHCDHN CC(=O)c1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000109761718 877423716 /nfs/dbraw/zinc/42/37/16/877423716.db2.gz OTCMTXRWUFWACQ-OAQYLSRUSA-N 0 3 396.487 3.605 20 10 GHCDHN CC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000109761718 877423725 /nfs/dbraw/zinc/42/37/25/877423725.db2.gz OTCMTXRWUFWACQ-OAQYLSRUSA-N 0 3 396.487 3.605 20 10 GHCDHN Fc1cc(CNCc2ccccc2N2CCCCC2)ccc1N1CCOCC1 ZINC000237852414 878174149 /nfs/dbraw/zinc/17/41/49/878174149.db2.gz MLZSDGWDOINHHW-UHFFFAOYSA-N 0 3 383.511 3.942 20 10 GHCDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)nc1 ZINC000093534267 912324849 /nfs/dbraw/zinc/32/48/49/912324849.db2.gz JDUIONJGZFTZEA-SFHVURJKSA-N 0 3 381.480 3.667 20 10 GHCDHN CCN1CCN(c2cccc(NCc3cc(Br)ccc3O)c2)CC1 ZINC000789543962 879063590 /nfs/dbraw/zinc/06/35/90/879063590.db2.gz HWRLSNAKRVVNLR-UHFFFAOYSA-N 0 3 390.325 3.909 20 10 GHCDHN CCN1CCN(c2cccc(NC3CCN(c4ccc(OC)cc4)CC3)c2)CC1 ZINC000789544486 879065261 /nfs/dbraw/zinc/06/52/61/879065261.db2.gz LJBXXVLJZZPGIG-UHFFFAOYSA-N 0 3 394.563 3.918 20 10 GHCDHN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000761523070 879212868 /nfs/dbraw/zinc/21/28/68/879212868.db2.gz QPJMICJWDGEXTK-CQSZACIVSA-N 0 3 375.856 3.936 20 10 GHCDHN CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1F ZINC000746976135 880203569 /nfs/dbraw/zinc/20/35/69/880203569.db2.gz ZSWFDUFOPHZNFL-NRFANRHFSA-N 0 3 384.499 3.528 20 10 GHCDHN CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)c1ccc(C)cc1[O-] ZINC000858493084 883146230 /nfs/dbraw/zinc/14/62/30/883146230.db2.gz ITESRVCGYJXOLC-KRWDZBQOSA-N 0 3 378.513 3.815 20 10 GHCDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000747231063 883624299 /nfs/dbraw/zinc/62/42/99/883624299.db2.gz DZTWJNPVLAKUCZ-YADHBBJMSA-N 0 3 395.547 3.811 20 10 GHCDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807141940 885259719 /nfs/dbraw/zinc/25/97/19/885259719.db2.gz XPBCMBXFPYKMQQ-NJNPRVFISA-N 0 3 380.536 3.776 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000919785883 886364887 /nfs/dbraw/zinc/36/48/87/886364887.db2.gz MGKNOGSUGPTCJO-WIYYLYMNSA-N 0 3 380.536 3.730 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000862545664 886459342 /nfs/dbraw/zinc/45/93/42/886459342.db2.gz AILGQSASQCRZNJ-IBGZPJMESA-N 0 3 390.524 3.630 20 10 GHCDHN COc1c(F)ccc(F)c1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000118975973 886470620 /nfs/dbraw/zinc/47/06/20/886470620.db2.gz LYACYEOWNUEXJO-UHFFFAOYSA-N 0 3 389.446 3.756 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697993 887678216 /nfs/dbraw/zinc/67/82/16/887678216.db2.gz SYTJYSLJDLIKPC-MJGOQNOKSA-N 0 3 395.421 3.964 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697993 887678221 /nfs/dbraw/zinc/67/82/21/887678221.db2.gz SYTJYSLJDLIKPC-MJGOQNOKSA-N 0 3 395.421 3.964 20 10 GHCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)c1C ZINC000809688061 887706538 /nfs/dbraw/zinc/70/65/38/887706538.db2.gz ZSPBMNOPAIXNMY-UHFFFAOYSA-N 0 3 391.899 3.873 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000809791420 887846315 /nfs/dbraw/zinc/84/63/15/887846315.db2.gz YFCXDOVKDSYHSC-HXUWFJFHSA-N 0 3 379.859 3.620 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000809791420 887846324 /nfs/dbraw/zinc/84/63/24/887846324.db2.gz YFCXDOVKDSYHSC-HXUWFJFHSA-N 0 3 379.859 3.620 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1[O-] ZINC000794802495 888072445 /nfs/dbraw/zinc/07/24/45/888072445.db2.gz FVGXOUIHAHROLY-HXUWFJFHSA-N 0 3 388.533 3.726 20 10 GHCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000794804762 888095411 /nfs/dbraw/zinc/09/54/11/888095411.db2.gz WBELSGBVLUEPNX-CTNGQTDRSA-N 0 3 382.504 3.850 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000796077690 913245248 /nfs/dbraw/zinc/24/52/48/913245248.db2.gz ILTHQYKISZBDQX-JOCHJYFZSA-N 0 3 379.548 3.856 20 10 GHCDHN COc1cccc2c1OCCC[C@@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000866244511 888795636 /nfs/dbraw/zinc/79/56/36/888795636.db2.gz PMBHRJRPHZISQC-QFIPXVFZSA-N 0 3 396.531 3.907 20 10 GHCDHN CCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1OC ZINC000122252084 889555434 /nfs/dbraw/zinc/55/54/34/889555434.db2.gz ATFJVGDTQHOUHB-UHFFFAOYSA-N 0 3 397.519 3.877 20 10 GHCDHN CCOc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1O ZINC000916836158 890271791 /nfs/dbraw/zinc/27/17/91/890271791.db2.gz HLUZEYCOZGJYLB-HOTGVXAUSA-N 0 3 388.483 3.833 20 10 GHCDHN Cc1cc(Br)c([O-])c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000812779027 890959000 /nfs/dbraw/zinc/95/90/00/890959000.db2.gz TXOOPRHCQOCIAM-KRWDZBQOSA-N 0 3 391.309 3.642 20 10 GHCDHN Cc1cc(Br)c([O-])c(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000812779027 890959006 /nfs/dbraw/zinc/95/90/06/890959006.db2.gz TXOOPRHCQOCIAM-KRWDZBQOSA-N 0 3 391.309 3.642 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000717048678 890986160 /nfs/dbraw/zinc/98/61/60/890986160.db2.gz NSTLNZPZNWECCH-HUUCEWRRSA-N 0 3 382.451 3.861 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1Cn1cccn1 ZINC000873098684 891470638 /nfs/dbraw/zinc/47/06/38/891470638.db2.gz UGOQKVBRSZQMTO-RKOGDMNLSA-N 0 3 383.517 3.528 20 10 GHCDHN COc1cc(Br)cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000873183626 891510960 /nfs/dbraw/zinc/51/09/60/891510960.db2.gz XIKYKSMLYLTHMJ-JTQLQIEISA-N 0 3 381.226 3.922 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000154325482 891619111 /nfs/dbraw/zinc/61/91/11/891619111.db2.gz OHMCUZJZNFFSEP-SFTDATJTSA-N 0 3 390.911 3.606 20 10 GHCDHN CCOc1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c(O)c1 ZINC000813792467 891981799 /nfs/dbraw/zinc/98/17/99/891981799.db2.gz QRHRUAAQQASFCZ-MRXNPFEDSA-N 0 3 384.245 3.516 20 10 GHCDHN COc1ccc([C@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001134686356 893199864 /nfs/dbraw/zinc/19/98/64/893199864.db2.gz IDHNBBTZJHROLX-VGSWGCGISA-N 0 3 383.536 3.674 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3cc4c(ccnc4Cl)o3)cc2)CC1 ZINC000876965861 893411428 /nfs/dbraw/zinc/41/14/28/893411428.db2.gz MHKVGULZDLLXTK-UHFFFAOYSA-N 0 3 385.895 3.980 20 10 GHCDHN C[C@@H](CCc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881820 893503350 /nfs/dbraw/zinc/50/33/50/893503350.db2.gz IBULZZISFYQYCL-HTAPYJJXSA-N 0 3 385.527 3.880 20 10 GHCDHN COc1ccccc1C[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134883204 893507674 /nfs/dbraw/zinc/50/76/74/893507674.db2.gz ZEFZFGFBFGESRO-XMSQKQJNSA-N 0 3 397.563 3.749 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]CCC2(O)CCN(c3ccccc3)CC2)c1[O-] ZINC000877678317 893758774 /nfs/dbraw/zinc/75/87/74/893758774.db2.gz LJMOPGXALWTZSP-UHFFFAOYSA-N 0 3 390.911 3.565 20 10 GHCDHN [O-]c1c(C[NH2+]Cc2ccccc2OCCN2CCOCC2)ccc2ccccc21 ZINC000816541517 894909229 /nfs/dbraw/zinc/90/92/29/894909229.db2.gz OHWTWPIOXAXUOT-UHFFFAOYSA-N 0 3 392.499 3.546 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000816624935 894954742 /nfs/dbraw/zinc/95/47/42/894954742.db2.gz LZTFGCQCASZOIH-FQEVSTJZSA-N 0 3 383.492 3.621 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c([O-])c1 ZINC000816636428 895016883 /nfs/dbraw/zinc/01/68/83/895016883.db2.gz UXBGYSCKAOYQBX-CALCHBBNSA-N 0 3 390.524 3.870 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)c([O-])c1 ZINC000816636428 895016901 /nfs/dbraw/zinc/01/69/01/895016901.db2.gz UXBGYSCKAOYQBX-CALCHBBNSA-N 0 3 390.524 3.870 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1n1cccn1 ZINC000816672709 895018541 /nfs/dbraw/zinc/01/85/41/895018541.db2.gz IBOJHVPOVCJHMI-MDNUFGMLSA-N 0 3 393.487 3.676 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1n1cccn1 ZINC000816672712 895018965 /nfs/dbraw/zinc/01/89/65/895018965.db2.gz IBOJHVPOVCJHMI-YMPZKCBVSA-N 0 3 393.487 3.676 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)N(C)C)cc1 ZINC001135714374 895148078 /nfs/dbraw/zinc/14/80/78/895148078.db2.gz HNTZNEFWULPCTF-INIZCTEOSA-N 0 3 384.501 3.908 20 10 GHCDHN C[C@H](N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387222 897549796 /nfs/dbraw/zinc/54/97/96/897549796.db2.gz UFAOXDLHWHZDBQ-AVRDEDQJSA-N 0 3 394.494 3.951 20 10 GHCDHN C[C@@H](N[C@H](Cn1ccnc1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387225 897550229 /nfs/dbraw/zinc/55/02/29/897550229.db2.gz UFAOXDLHWHZDBQ-XMSQKQJNSA-N 0 3 394.494 3.951 20 10 GHCDHN COCCOc1ccc(N2CCN([C@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001171006820 898866915 /nfs/dbraw/zinc/86/69/15/898866915.db2.gz ZPISBKVBTRSZDG-FQEVSTJZSA-N 0 3 384.495 3.530 20 10 GHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001137204659 899373832 /nfs/dbraw/zinc/37/38/32/899373832.db2.gz KYTHGMWMYPJIJR-HDICACEKSA-N 0 3 389.565 3.775 20 10 GHCDHN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000825096571 899972872 /nfs/dbraw/zinc/97/28/72/899972872.db2.gz IBIZLDRNHLGMRG-UHFFFAOYSA-N 0 3 389.337 3.951 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000886325326 900935351 /nfs/dbraw/zinc/93/53/51/900935351.db2.gz BCUPTQCDQFCZKQ-UHFFFAOYSA-N 0 3 391.437 3.697 20 10 GHCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC000846160610 902731027 /nfs/dbraw/zinc/73/10/27/902731027.db2.gz UGMZFLSEQRBVSH-MEDUHNTESA-N 0 3 378.831 3.649 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000779037965 903366969 /nfs/dbraw/zinc/36/69/69/903366969.db2.gz XSZPOHVZYHBZGP-HIFRSBDPSA-N 0 3 384.314 3.842 20 10 GHCDHN C[C@H](NCCOc1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1Cl ZINC000773058410 904403090 /nfs/dbraw/zinc/40/30/90/904403090.db2.gz HDEWPHNSTHIPEN-AWEZNQCLSA-N 0 3 396.318 3.955 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000779604129 907859945 /nfs/dbraw/zinc/85/99/45/907859945.db2.gz HJGXNMKANRODRX-GOSISDBHSA-N 0 3 376.928 3.969 20 10 GHCDHN C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000773619656 908447975 /nfs/dbraw/zinc/44/79/75/908447975.db2.gz NHNLJCBUVMBZIS-AVRDEDQJSA-N 0 3 380.536 3.950 20 10 GHCDHN COc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1F ZINC001177333468 908530357 /nfs/dbraw/zinc/53/03/57/908530357.db2.gz CATPSMZLPQBKBQ-HUUCEWRRSA-N 0 3 376.447 3.877 20 10 GHCDHN CN(C)c1ccc(/C=C/CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC001179607001 909605441 /nfs/dbraw/zinc/60/54/41/909605441.db2.gz BZQNBSKQFJDFGW-HLFKLIKESA-N 0 3 385.458 3.606 20 10 GHCDHN CN1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000245655440 909804476 /nfs/dbraw/zinc/80/44/76/909804476.db2.gz OCDBMDZKRIANAY-FGZHOGPDSA-N 0 3 378.520 3.531 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246270345 910209183 /nfs/dbraw/zinc/20/91/83/910209183.db2.gz RTFAINJMWFSPFP-MOPGFXCFSA-N 0 3 392.293 3.688 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246270345 910209190 /nfs/dbraw/zinc/20/91/90/910209190.db2.gz RTFAINJMWFSPFP-MOPGFXCFSA-N 0 3 392.293 3.688 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000246502531 910338733 /nfs/dbraw/zinc/33/87/33/910338733.db2.gz SQQCMFZAKDLPPM-VGSWGCGISA-N 0 3 381.520 3.603 20 10 GHCDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329179 910863495 /nfs/dbraw/zinc/86/34/95/910863495.db2.gz MVUMSOUXTCKQQJ-UGKGYDQZSA-N 0 3 377.488 3.738 20 10 GHCDHN Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329179 910863512 /nfs/dbraw/zinc/86/35/12/910863512.db2.gz MVUMSOUXTCKQQJ-UGKGYDQZSA-N 0 3 377.488 3.738 20 10 GHCDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329167 910863785 /nfs/dbraw/zinc/86/37/85/910863785.db2.gz MVUMSOUXTCKQQJ-KNQAVFIVSA-N 0 3 377.488 3.738 20 10 GHCDHN Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271329167 910863788 /nfs/dbraw/zinc/86/37/88/910863788.db2.gz MVUMSOUXTCKQQJ-KNQAVFIVSA-N 0 3 377.488 3.738 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000247216791 911043599 /nfs/dbraw/zinc/04/35/99/911043599.db2.gz XIKMBNJSECZZFP-DLBZAZTESA-N 0 3 389.565 3.805 20 10 GHCDHN COC(=O)c1coc([C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000774209629 911495352 /nfs/dbraw/zinc/49/53/52/911495352.db2.gz NUMXRSPKCPCXKJ-DZGCQCFKSA-N 0 3 394.418 3.987 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000795633814 911511036 /nfs/dbraw/zinc/51/10/36/911511036.db2.gz VLDJTVDEVRIYKU-IBGZPJMESA-N 0 3 392.293 3.689 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000795633814 911511041 /nfs/dbraw/zinc/51/10/41/911511041.db2.gz VLDJTVDEVRIYKU-IBGZPJMESA-N 0 3 392.293 3.689 20 10 GHCDHN CC(C)(NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)N1CCCC1 ZINC000796362026 915019765 /nfs/dbraw/zinc/01/97/65/915019765.db2.gz JRUZBIVTUKKRQS-UHFFFAOYSA-N 0 3 377.532 3.740 20 10 GHCDHN Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000303816217 915169704 /nfs/dbraw/zinc/16/97/04/915169704.db2.gz ZZIZWTGATSIHNL-PZJWPPBQSA-N 0 3 379.548 3.897 20 10 GHCDHN Oc1cc2c(cc1CN1CCC(O)(c3ccccc3C(F)(F)F)CC1)OCO2 ZINC000775120530 915283303 /nfs/dbraw/zinc/28/33/03/915283303.db2.gz MWKATTQOJQQDCD-UHFFFAOYSA-N 0 3 395.377 3.623 20 10 GHCDHN CS(=O)(=O)CCCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293970091 916503206 /nfs/dbraw/zinc/50/32/06/916503206.db2.gz ASDWFSHJNMFRAV-FQEVSTJZSA-N 0 3 375.534 3.871 20 10 GHCDHN CC(C)N(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253741 916644568 /nfs/dbraw/zinc/64/45/68/916644568.db2.gz DMCHICCTCVGRFN-HXUWFJFHSA-N 0 3 395.547 3.611 20 10 GHCDHN CCN(Cc1ccccc1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254096 916652493 /nfs/dbraw/zinc/65/24/93/916652493.db2.gz GKEKCHZVYCIUKX-VQTJNVASSA-N 0 3 395.547 3.611 20 10 GHCDHN C[C@@H](NCc1cncc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000775257671 916680842 /nfs/dbraw/zinc/68/08/42/916680842.db2.gz KSXDOPMAYBYJTF-CQSZACIVSA-N 0 3 376.298 3.532 20 10 GHCDHN CC(C)c1cccc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775257997 916680957 /nfs/dbraw/zinc/68/09/57/916680957.db2.gz OBGMSXKIDNDLFD-GOSISDBHSA-N 0 3 381.520 3.936 20 10 GHCDHN CCOc1ccc(O)c(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000775319691 916908794 /nfs/dbraw/zinc/90/87/94/916908794.db2.gz XTJLMYPKRKWGDF-INIZCTEOSA-N 0 3 394.393 3.705 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000775373275 917246239 /nfs/dbraw/zinc/24/62/39/917246239.db2.gz QKWZLJGJWUTLBB-IRXDYDNUSA-N 0 3 382.504 3.879 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(Cl)cn3)cc2F)CC1 ZINC000775501175 918392838 /nfs/dbraw/zinc/39/28/38/918392838.db2.gz CGFJYZKBQPGWKU-OAHLLOKOSA-N 0 3 376.907 3.867 20 10 GHCDHN C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000903379959 922977741 /nfs/dbraw/zinc/97/77/41/922977741.db2.gz JKJPWCGFVJLFBP-DYVFJYSZSA-N 0 3 378.314 3.893 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)c1[O-] ZINC000903403153 922994233 /nfs/dbraw/zinc/99/42/33/922994233.db2.gz OCECYYSTECKPCJ-GFCCVEGCSA-N 0 3 380.282 3.549 20 10 GHCDHN COc1cc(Br)cc(CN2CCC([C@@H]3CCCCO3)CC2)c1O ZINC000827376875 925384060 /nfs/dbraw/zinc/38/40/60/925384060.db2.gz JVSLBNCLKBXBCG-INIZCTEOSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cccc(C(=O)NCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725849203 926467652 /nfs/dbraw/zinc/46/76/52/926467652.db2.gz WCDBVSWMKJPLSL-UHFFFAOYSA-N 0 3 376.456 3.587 20 10 GHCDHN C[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000753764156 929523699 /nfs/dbraw/zinc/52/36/99/929523699.db2.gz RROMQEDXTIJAGN-XLIONFOSSA-N 0 3 388.939 3.821 20 10 GHCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)s1 ZINC000797138989 932198912 /nfs/dbraw/zinc/19/89/12/932198912.db2.gz CFJUKAOHVCGYTB-DCQANWLSSA-N 0 3 392.500 3.746 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3cc(C)nc(Cl)c3)cc2F)CC1 ZINC000797600401 932340446 /nfs/dbraw/zinc/34/04/46/932340446.db2.gz STMQZYAGTULFNX-UHFFFAOYSA-N 0 3 376.907 3.614 20 10 GHCDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000798003781 932486546 /nfs/dbraw/zinc/48/65/46/932486546.db2.gz RLLAQRJVCFFSSX-XHSDSOJGSA-N 0 3 380.916 3.559 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000799336187 932956146 /nfs/dbraw/zinc/95/61/46/932956146.db2.gz JMSQPJBAHWMWSZ-ZDUSSCGKSA-N 0 3 388.821 3.542 20 10 GHCDHN COC1CCN(c2ccc(CN[C@H](CC(=O)N(C)C)c3ccccc3)cc2)CC1 ZINC000828670167 935687045 /nfs/dbraw/zinc/68/70/45/935687045.db2.gz YZZAFJPOMJACJM-HSZRJFAPSA-N 0 3 395.547 3.611 20 10 GHCDHN Cc1cc(C(=O)CN2CCC[C@@H]2[C@@H]2CCCOC2)c(C)n1-c1ccc(F)cn1 ZINC000828910548 935739211 /nfs/dbraw/zinc/73/92/11/935739211.db2.gz SDCNOUACCDUDHW-YLJYHZDGSA-N 0 3 385.483 3.702 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(Br)cc1O ZINC001277191093 1032331998 /nfs/dbraw/zinc/33/19/98/1032331998.db2.gz DKEGIIXAOSYZPV-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)c(Br)cc1[O-] ZINC001277191093 1032332014 /nfs/dbraw/zinc/33/20/14/1032332014.db2.gz DKEGIIXAOSYZPV-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)c(Br)cc1[O-] ZINC001277191093 1032332023 /nfs/dbraw/zinc/33/20/23/1032332023.db2.gz DKEGIIXAOSYZPV-IAOVAPTHSA-N 0 3 395.341 3.827 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)CC1 ZINC001204272002 1032714975 /nfs/dbraw/zinc/71/49/75/1032714975.db2.gz GHYIDNYXFJKRSK-UHFFFAOYSA-N 0 3 376.497 3.711 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)CC1 ZINC001204272002 1032714992 /nfs/dbraw/zinc/71/49/92/1032714992.db2.gz GHYIDNYXFJKRSK-UHFFFAOYSA-N 0 3 376.497 3.711 20 10 GHCDHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1[O-] ZINC000933072764 1018830903 /nfs/dbraw/zinc/83/09/03/1018830903.db2.gz JIILUTZXWCBCEK-IBGZPJMESA-N 0 3 385.435 3.585 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)CC2 ZINC000834783735 1021467801 /nfs/dbraw/zinc/46/78/01/1021467801.db2.gz NGXUTFKKBCLMMS-DYVFJYSZSA-N 0 3 376.294 3.583 20 10 GHCDHN CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000834887559 1021616584 /nfs/dbraw/zinc/61/65/84/1021616584.db2.gz TZTGIQNMJRWRKY-OAHLLOKOSA-N 0 3 385.483 3.805 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)CC2 ZINC000834901217 1021648486 /nfs/dbraw/zinc/64/84/86/1021648486.db2.gz YTHMFACMRCUXBV-PXAZEXFGSA-N 0 3 394.284 3.722 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c([O-])c1 ZINC000725843779 1022386088 /nfs/dbraw/zinc/38/60/88/1022386088.db2.gz DKPMFKPCARFIEJ-HXUWFJFHSA-N 0 3 390.911 3.607 20 10 GHCDHN CCN(CC)c1ccc(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c(O)c1 ZINC001140852406 1022701608 /nfs/dbraw/zinc/70/16/08/1022701608.db2.gz MVLMFUSBGMWLOK-SFHVURJKSA-N 0 3 399.583 3.852 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)c(O)c1 ZINC001140856076 1022711561 /nfs/dbraw/zinc/71/15/61/1022711561.db2.gz QLSAOSLPIBQTDK-UHFFFAOYSA-N 0 3 383.536 3.565 20 10 GHCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c([O-])c1 ZINC001140949667 1022970613 /nfs/dbraw/zinc/97/06/13/1022970613.db2.gz GKFBEXMAIHGQCM-HTZLVSCSSA-N 0 3 384.545 3.579 20 10 GHCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c([O-])c1 ZINC001140949667 1022970616 /nfs/dbraw/zinc/97/06/16/1022970616.db2.gz GKFBEXMAIHGQCM-HTZLVSCSSA-N 0 3 384.545 3.579 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950339 1022972224 /nfs/dbraw/zinc/97/22/24/1022972224.db2.gz QUHMXHRVGXQPPN-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950339 1022972228 /nfs/dbraw/zinc/97/22/28/1022972228.db2.gz QUHMXHRVGXQPPN-PKTZIBPZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)c([O-])c1 ZINC001140952239 1022980607 /nfs/dbraw/zinc/98/06/07/1022980607.db2.gz JQFXXXCRLZFONS-UHFFFAOYSA-N 0 3 379.504 3.561 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C[C@H]1c1ccccc1 ZINC001141029671 1023282627 /nfs/dbraw/zinc/28/26/27/1023282627.db2.gz ZJUHPYMCLFQRKP-OALUTQOASA-N 0 3 399.487 3.578 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C[C@H]1c1ccccc1 ZINC001141029671 1023282633 /nfs/dbraw/zinc/28/26/33/1023282633.db2.gz ZJUHPYMCLFQRKP-OALUTQOASA-N 0 3 399.487 3.578 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032694 1023300499 /nfs/dbraw/zinc/30/04/99/1023300499.db2.gz MWRYNRLUYPFSDN-OAQYLSRUSA-N 0 3 394.512 3.536 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032694 1023300508 /nfs/dbraw/zinc/30/05/08/1023300508.db2.gz MWRYNRLUYPFSDN-OAQYLSRUSA-N 0 3 394.512 3.536 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141032694 1023300515 /nfs/dbraw/zinc/30/05/15/1023300515.db2.gz MWRYNRLUYPFSDN-OAQYLSRUSA-N 0 3 394.512 3.536 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756378871 1023618783 /nfs/dbraw/zinc/61/87/83/1023618783.db2.gz JFJGPLMGXJBIEF-KUHUBIRLSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(NS(C)(=O)=O)c1 ZINC000756494861 1023685055 /nfs/dbraw/zinc/68/50/55/1023685055.db2.gz OUYHTGLRWXAKPE-HSMVNMDESA-N 0 3 378.469 3.802 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756605075 1023733716 /nfs/dbraw/zinc/73/37/16/1023733716.db2.gz QGRIOBIGROOESE-VUBSUSDNSA-N 0 3 384.495 3.552 20 10 GHCDHN Cc1nc(CN2CCC3(CN(Cc4ccc5c(c4)CCCN5C)C3)C2)cs1 ZINC001138356556 1024720044 /nfs/dbraw/zinc/72/00/44/1024720044.db2.gz KUYRKWVIUFOQBD-UHFFFAOYSA-N 0 3 382.577 3.542 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CCn4c(C)cnc43)CC2)c(OC)c1 ZINC001138388310 1024762850 /nfs/dbraw/zinc/76/28/50/1024762850.db2.gz VQHLGXMTYRYFEB-UHFFFAOYSA-N 0 3 382.552 3.984 20 10 GHCDHN OC[C@@H](CC(F)F)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000839063763 1025553061 /nfs/dbraw/zinc/55/30/61/1025553061.db2.gz UEXGLSOVIPPKRZ-CYBMUJFWSA-N 0 3 377.273 3.545 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139132266 1025945021 /nfs/dbraw/zinc/94/50/21/1025945021.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 0 3 392.499 3.761 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139132266 1025945026 /nfs/dbraw/zinc/94/50/26/1025945026.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 0 3 392.499 3.761 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139132266 1025945030 /nfs/dbraw/zinc/94/50/30/1025945030.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 0 3 392.499 3.761 20 10 GHCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139132266 1025945039 /nfs/dbraw/zinc/94/50/39/1025945039.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 0 3 392.499 3.761 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cc(Cl)nc4[nH]ccc43)CC2)cc1 ZINC001164327458 1026487033 /nfs/dbraw/zinc/48/70/33/1026487033.db2.gz HTCNMQDNRIFMQU-UHFFFAOYSA-N 0 3 399.926 3.849 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cccc4[nH]cc(F)c43)CC2)cc1 ZINC001164335414 1026488857 /nfs/dbraw/zinc/48/88/57/1026488857.db2.gz DHIBLDLQQFCYAG-UHFFFAOYSA-N 0 3 382.483 3.940 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cc(F)cc4[nH]ccc43)CC2)cc1 ZINC001164334728 1026489042 /nfs/dbraw/zinc/48/90/42/1026489042.db2.gz ZHXPKZBXEPPECI-UHFFFAOYSA-N 0 3 382.483 3.940 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)ccc1N(C)C ZINC001139671050 1026526106 /nfs/dbraw/zinc/52/61/06/1026526106.db2.gz FHOUTYAJFZGNFQ-QFIPXVFZSA-N 0 3 391.559 3.899 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)Cc2ccccc2CNC3=O)ccc1N(C)C ZINC001139672465 1026527075 /nfs/dbraw/zinc/52/70/75/1026527075.db2.gz XXMLMSRRWHQDIA-UHFFFAOYSA-N 0 3 377.532 3.516 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2cc(C)ccc21 ZINC001140055778 1026835434 /nfs/dbraw/zinc/83/54/34/1026835434.db2.gz UGLJOZGGHHJDLK-HXUWFJFHSA-N 0 3 397.494 3.747 20 10 GHCDHN CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203551486 1027428687 /nfs/dbraw/zinc/42/86/87/1027428687.db2.gz FQWKVBUPNWNSTB-UHFFFAOYSA-N 0 3 388.515 3.692 20 10 GHCDHN COc1cccc(CN2CCN(c3ccc(Br)cc3C)CC2)c1O ZINC001203599581 1027463107 /nfs/dbraw/zinc/46/31/07/1027463107.db2.gz IXUAFQMXPBYMNG-UHFFFAOYSA-N 0 3 391.309 3.794 20 10 GHCDHN CCOc1cccc(CN2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1O ZINC001203617861 1027479882 /nfs/dbraw/zinc/47/98/82/1027479882.db2.gz WDTYDEJDXHTTRC-MRXNPFEDSA-N 0 3 384.451 3.550 20 10 GHCDHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203879628 1027675166 /nfs/dbraw/zinc/67/51/66/1027675166.db2.gz VMMMWYDOXWMRLK-JOCHJYFZSA-N 0 3 392.499 3.674 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001203945483 1027740321 /nfs/dbraw/zinc/74/03/21/1027740321.db2.gz NNXRKHRSPKBRIV-KRWDZBQOSA-N 0 3 394.441 3.995 20 10 GHCDHN COC(=O)c1ccc(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1C ZINC001461464975 1069561541 /nfs/dbraw/zinc/56/15/41/1069561541.db2.gz NYNHKHFEFPCWNG-OAHLLOKOSA-N 0 3 389.927 3.991 20 10 GHCDHN CCOc1ccc(O)c(CN[C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC000842742208 1029550799 /nfs/dbraw/zinc/55/07/99/1029550799.db2.gz LKBMVNUQEXRCIP-KRWDZBQOSA-N 0 3 385.382 3.903 20 10 GHCDHN CC(C)(C)c1cccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1O ZINC001143108666 1029846550 /nfs/dbraw/zinc/84/65/50/1029846550.db2.gz UAKZNFHTXJABEI-MSOLQXFVSA-N 0 3 385.533 3.635 20 10 GHCDHN OCC1([C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)CC=CC1 ZINC000843432714 1030006226 /nfs/dbraw/zinc/00/62/26/1030006226.db2.gz IRIJKDNDQKTVFZ-HSZRJFAPSA-N 0 3 396.506 3.822 20 10 GHCDHN O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1O[C@@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001218127476 1030788251 /nfs/dbraw/zinc/78/82/51/1030788251.db2.gz QKHZLPJHUOPJCJ-ZQSJJCHFSA-N 0 3 384.392 3.614 20 10 GHCDHN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H](N)Cc2cncn2C)c(C)c1 ZINC001219204063 1031303894 /nfs/dbraw/zinc/30/38/94/1031303894.db2.gz SQYKXNBQNABLGB-RRRUWBTGSA-N 0 3 376.464 3.961 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(C)C)C3)c1[O-] ZINC001277067155 1031566094 /nfs/dbraw/zinc/56/60/94/1031566094.db2.gz URIOKFDAJMNRFG-HXUWFJFHSA-N 0 3 380.916 3.667 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@]23CC(=O)N(CC(C)C)C3)c1[O-] ZINC001277067155 1031566107 /nfs/dbraw/zinc/56/61/07/1031566107.db2.gz URIOKFDAJMNRFG-HXUWFJFHSA-N 0 3 380.916 3.667 20 10 GHCDHN CN(C(=O)c1ccc(NCc2ccc(Cl)cc2O)cc1)[C@H]1CCCN(C)C1 ZINC001205765740 1033563556 /nfs/dbraw/zinc/56/35/56/1033563556.db2.gz FKEYPFLOZCMTMX-IBGZPJMESA-N 0 3 387.911 3.824 20 10 GHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001157436157 1033588929 /nfs/dbraw/zinc/58/89/29/1033588929.db2.gz ZYGLYYILFSPNEI-OFNKIYASSA-N 0 3 384.495 3.848 20 10 GHCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469647 1034615509 /nfs/dbraw/zinc/61/55/09/1034615509.db2.gz KFGCZJHSGSVLJW-SXLOBPIMSA-N 0 3 381.472 3.745 20 10 GHCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231469647 1034615515 /nfs/dbraw/zinc/61/55/15/1034615515.db2.gz KFGCZJHSGSVLJW-SXLOBPIMSA-N 0 3 381.472 3.745 20 10 GHCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(Br)ccc(OC)c1[O-])C2 ZINC001231550510 1034703299 /nfs/dbraw/zinc/70/32/99/1034703299.db2.gz MIIXXHLDKQEQLD-ACJLOTCBSA-N 0 3 384.314 3.802 20 10 GHCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(Br)ccc(OC)c1[O-])C2 ZINC001231550510 1034703314 /nfs/dbraw/zinc/70/33/14/1034703314.db2.gz MIIXXHLDKQEQLD-ACJLOTCBSA-N 0 3 384.314 3.802 20 10 GHCDHN COC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001231586724 1034739497 /nfs/dbraw/zinc/73/94/97/1034739497.db2.gz LCKPADVYRAZXDX-QGZVFWFLSA-N 0 3 386.492 3.613 20 10 GHCDHN COC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001231586724 1034739512 /nfs/dbraw/zinc/73/95/12/1034739512.db2.gz LCKPADVYRAZXDX-QGZVFWFLSA-N 0 3 386.492 3.613 20 10 GHCDHN COC[C@H]1CN(Cc2c(O)ccc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001231586724 1034739525 /nfs/dbraw/zinc/73/95/25/1034739525.db2.gz LCKPADVYRAZXDX-QGZVFWFLSA-N 0 3 386.492 3.613 20 10 GHCDHN CCOC(=O)c1ccnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])c1 ZINC001160616975 1035017733 /nfs/dbraw/zinc/01/77/33/1035017733.db2.gz ZMPYJMMZMXOIMM-NHCUHLMSSA-N 0 3 393.443 3.523 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3c[nH]c4c3cccc4C)CC2)cc1 ZINC001209492099 1035291544 /nfs/dbraw/zinc/29/15/44/1035291544.db2.gz BVEKQPLUHFIWMZ-UHFFFAOYSA-N 0 3 379.504 3.824 20 10 GHCDHN CSC1CCC(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001248686415 1036052621 /nfs/dbraw/zinc/05/26/21/1036052621.db2.gz UCKCLKOPAKQAGP-RRWXTXHCSA-N 0 3 392.613 3.576 20 10 GHCDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)c(Br)c2)[C@@H]1OC ZINC001462062872 1069974492 /nfs/dbraw/zinc/97/44/92/1069974492.db2.gz UYACYYJDOPZMJK-UHOSZYNNSA-N 0 3 397.357 3.721 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@@H](c3nc(C(C)C)no3)C2)c2ccccc2n1C ZINC001232406828 1038189180 /nfs/dbraw/zinc/18/91/80/1038189180.db2.gz YPYQISWGZBHHOC-OAHLLOKOSA-N 0 3 396.491 3.851 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2cc(O)c(O)c(O)c2)C2CCC2)C1 ZINC001233014957 1038768477 /nfs/dbraw/zinc/76/84/77/1038768477.db2.gz CIFMIKRIQCZYMD-INIZCTEOSA-N 0 3 392.496 3.557 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC(N(C)C(=O)C(C)C)CC2)c1O ZINC001233111802 1038903235 /nfs/dbraw/zinc/90/32/35/1038903235.db2.gz YLHOHJUXNWREJU-UHFFFAOYSA-N 0 3 383.330 3.542 20 10 GHCDHN Oc1ccc2cc(Br)ccc2c1CN1CC(N2CC[C@H](F)C2)C1 ZINC001233194993 1038962042 /nfs/dbraw/zinc/96/20/42/1038962042.db2.gz AJDBJCFSAIIFEH-AWEZNQCLSA-N 0 3 379.273 3.536 20 10 GHCDHN [O-]c1c(C[NH+]2CCC(O)(Cc3ccccc3)CC2)cccc1OC(F)(F)F ZINC001233728701 1039571718 /nfs/dbraw/zinc/57/17/18/1039571718.db2.gz YXEGIZIQLZWEEV-UHFFFAOYSA-N 0 3 381.394 3.860 20 10 GHCDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233744980 1039584240 /nfs/dbraw/zinc/58/42/40/1039584240.db2.gz BFQXRGOTWOVZGI-LJQANCHMSA-N 0 3 398.425 3.515 20 10 GHCDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233744980 1039584256 /nfs/dbraw/zinc/58/42/56/1039584256.db2.gz BFQXRGOTWOVZGI-LJQANCHMSA-N 0 3 398.425 3.515 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233746000 1039586756 /nfs/dbraw/zinc/58/67/56/1039586756.db2.gz QZUAHWNZOADOMQ-KDOFPFPSSA-N 0 3 389.414 3.698 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233746000 1039586772 /nfs/dbraw/zinc/58/67/72/1039586772.db2.gz QZUAHWNZOADOMQ-KDOFPFPSSA-N 0 3 389.414 3.698 20 10 GHCDHN COC[C@H]1COCCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233754508 1039591642 /nfs/dbraw/zinc/59/16/42/1039591642.db2.gz GZQSJSDXIYCWGJ-HNNXBMFYSA-N 0 3 389.414 3.556 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234568963 1040136914 /nfs/dbraw/zinc/13/69/14/1040136914.db2.gz IBKSXPOHZGGACK-HNAYVOBHSA-N 0 3 384.476 3.605 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234568963 1040136932 /nfs/dbraw/zinc/13/69/32/1040136932.db2.gz IBKSXPOHZGGACK-HNAYVOBHSA-N 0 3 384.476 3.605 20 10 GHCDHN CCOC(=O)C(CC)(CC)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001462487361 1070294958 /nfs/dbraw/zinc/29/49/58/1070294958.db2.gz ZTBCGJIEBWOXAZ-UHFFFAOYSA-N 0 3 392.471 3.563 20 10 GHCDHN [O-]c1cccc(Br)c1CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235381593 1040901810 /nfs/dbraw/zinc/90/18/10/1040901810.db2.gz ZYCDSQMOQDWCFC-XLIONFOSSA-N 0 3 387.321 3.734 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001235668823 1041123812 /nfs/dbraw/zinc/12/38/12/1041123812.db2.gz FZHWGUCKXCLAIO-UHFFFAOYSA-N 0 3 396.409 3.759 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c([O-])c1 ZINC001235680183 1041142568 /nfs/dbraw/zinc/14/25/68/1041142568.db2.gz SVLRJDDQCJZATJ-QZTJIDSGSA-N 0 3 384.545 3.955 20 10 GHCDHN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(Br)cc1[O-] ZINC001236752510 1041873274 /nfs/dbraw/zinc/87/32/74/1041873274.db2.gz YONBMPIQRLUMCQ-UHFFFAOYSA-N 0 3 394.265 3.914 20 10 GHCDHN CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(Br)cc1[O-] ZINC001236752510 1041873280 /nfs/dbraw/zinc/87/32/80/1041873280.db2.gz YONBMPIQRLUMCQ-UHFFFAOYSA-N 0 3 394.265 3.914 20 10 GHCDHN CCc1ccc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001236786678 1041893537 /nfs/dbraw/zinc/89/35/37/1041893537.db2.gz GRENSFHZXRNWME-FUPPJEDESA-N 0 3 382.504 3.546 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001236790630 1041896427 /nfs/dbraw/zinc/89/64/27/1041896427.db2.gz RTORMZGYCUWKAP-UHFFFAOYSA-N 0 3 381.307 3.507 20 10 GHCDHN Oc1cc(Cl)c(Cl)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001236790630 1041896429 /nfs/dbraw/zinc/89/64/29/1041896429.db2.gz RTORMZGYCUWKAP-UHFFFAOYSA-N 0 3 381.307 3.507 20 10 GHCDHN COc1cc([O-])c(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c(Cl)c1 ZINC001236795489 1041899904 /nfs/dbraw/zinc/89/99/04/1041899904.db2.gz MTFFLFLLCDZGLG-QZTJIDSGSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236807688 1041909017 /nfs/dbraw/zinc/90/90/17/1041909017.db2.gz JBQQDHYDRZNZFP-JOCHJYFZSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001236807688 1041909021 /nfs/dbraw/zinc/90/90/21/1041909021.db2.gz JBQQDHYDRZNZFP-JOCHJYFZSA-N 0 3 390.524 3.932 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001236811456 1041911429 /nfs/dbraw/zinc/91/14/29/1041911429.db2.gz OQZSRQMNCFIVJS-QHCPKHFHSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001236811456 1041911434 /nfs/dbraw/zinc/91/14/34/1041911434.db2.gz OQZSRQMNCFIVJS-QHCPKHFHSA-N 0 3 380.488 3.647 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)c([O-])c1 ZINC001236812361 1041912180 /nfs/dbraw/zinc/91/21/80/1041912180.db2.gz ZVRIRHIXSFWIHF-OAQYLSRUSA-N 0 3 380.488 3.505 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])CC[C@@H]21 ZINC001236827890 1041919062 /nfs/dbraw/zinc/91/90/62/1041919062.db2.gz WAUUFUAFXGRMSK-FPOVZHCZSA-N 0 3 398.503 3.756 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])CC[C@@H]21 ZINC001236827890 1041919065 /nfs/dbraw/zinc/91/90/65/1041919065.db2.gz WAUUFUAFXGRMSK-FPOVZHCZSA-N 0 3 398.503 3.756 20 10 GHCDHN COC(=O)c1ccc(N2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)cc1 ZINC001236834069 1041921979 /nfs/dbraw/zinc/92/19/79/1041921979.db2.gz TVBOHQSHKMMNNS-UHFFFAOYSA-N 0 3 376.456 3.654 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001236833373 1041922094 /nfs/dbraw/zinc/92/20/94/1041922094.db2.gz WCOMMKGVECHQCK-AMHTUMDSSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001236833373 1041922097 /nfs/dbraw/zinc/92/20/97/1041922097.db2.gz WCOMMKGVECHQCK-AMHTUMDSSA-N 0 3 390.483 3.999 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001236833373 1041922099 /nfs/dbraw/zinc/92/20/99/1041922099.db2.gz WCOMMKGVECHQCK-AMHTUMDSSA-N 0 3 390.483 3.999 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001236835789 1041922685 /nfs/dbraw/zinc/92/26/85/1041922685.db2.gz SPQYJSFZKVAHBI-QHCPKHFHSA-N 0 3 398.503 3.757 20 10 GHCDHN CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001236835789 1041922690 /nfs/dbraw/zinc/92/26/90/1041922690.db2.gz SPQYJSFZKVAHBI-QHCPKHFHSA-N 0 3 398.503 3.757 20 10 GHCDHN C[C@H]1C[C@H](C)C[NH+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236852788 1041928571 /nfs/dbraw/zinc/92/85/71/1041928571.db2.gz UPMCQHYHDQTXOK-HOTGVXAUSA-N 0 3 390.524 4.000 20 10 GHCDHN CCOC(=O)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1C ZINC001236927777 1041961441 /nfs/dbraw/zinc/96/14/41/1041961441.db2.gz WKCZBMZWAWIUHC-IRXDYDNUSA-N 0 3 394.943 3.588 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001237041799 1042001416 /nfs/dbraw/zinc/00/14/16/1042001416.db2.gz URYCNWRMDOWQCN-XMMPIXPASA-N 0 3 394.515 3.937 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c([O-])c1 ZINC001237041799 1042001419 /nfs/dbraw/zinc/00/14/19/1042001419.db2.gz URYCNWRMDOWQCN-XMMPIXPASA-N 0 3 394.515 3.937 20 10 GHCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)O1 ZINC001237048957 1042008065 /nfs/dbraw/zinc/00/80/65/1042008065.db2.gz PSYPZOSFEJUGKE-NFBKMPQASA-N 0 3 388.552 3.801 20 10 GHCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)O1 ZINC001237048957 1042008070 /nfs/dbraw/zinc/00/80/70/1042008070.db2.gz PSYPZOSFEJUGKE-NFBKMPQASA-N 0 3 388.552 3.801 20 10 GHCDHN COc1ccc(N2CCN(Cc3ccc(OCC(F)(F)F)cc3O)CC2)cc1 ZINC001237051116 1042010405 /nfs/dbraw/zinc/01/04/05/1042010405.db2.gz HNPJKWJPBQBZFP-UHFFFAOYSA-N 0 3 396.409 3.664 20 10 GHCDHN C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052833 1042011973 /nfs/dbraw/zinc/01/19/73/1042011973.db2.gz CZHNIKJKXNHAOI-UHFFFAOYSA-N 0 3 392.418 3.680 20 10 GHCDHN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052833 1042011978 /nfs/dbraw/zinc/01/19/78/1042011978.db2.gz CZHNIKJKXNHAOI-UHFFFAOYSA-N 0 3 392.418 3.680 20 10 GHCDHN COC(=O)CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C1CCCC1 ZINC001237058324 1042014197 /nfs/dbraw/zinc/01/41/97/1042014197.db2.gz YEQHANPLKDCCHS-UHFFFAOYSA-N 0 3 375.387 3.641 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C1CCCC1 ZINC001237058324 1042014202 /nfs/dbraw/zinc/01/42/02/1042014202.db2.gz YEQHANPLKDCCHS-UHFFFAOYSA-N 0 3 375.387 3.641 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1c1ccccc1 ZINC001237124745 1042052527 /nfs/dbraw/zinc/05/25/27/1042052527.db2.gz DIOFVMILAKBFFG-LSDHHAIUSA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1c1ccccc1 ZINC001237124745 1042052535 /nfs/dbraw/zinc/05/25/35/1042052535.db2.gz DIOFVMILAKBFFG-LSDHHAIUSA-N 0 3 395.377 3.679 20 10 GHCDHN CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237135580 1042057267 /nfs/dbraw/zinc/05/72/67/1042057267.db2.gz KAZZQMWQUDSTSK-UHFFFAOYSA-N 0 3 386.414 3.854 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237137488 1042059681 /nfs/dbraw/zinc/05/96/81/1042059681.db2.gz PXUSSBSRIDHCCV-CJNGLKHVSA-N 0 3 397.466 3.964 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237137488 1042059685 /nfs/dbraw/zinc/05/96/85/1042059685.db2.gz PXUSSBSRIDHCCV-CJNGLKHVSA-N 0 3 397.466 3.964 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)c2cc(C)ccc21 ZINC001237489076 1042232529 /nfs/dbraw/zinc/23/25/29/1042232529.db2.gz UZEGXDWMHGKPLO-NRFANRHFSA-N 0 3 393.531 3.917 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1[O-] ZINC001237683702 1042325220 /nfs/dbraw/zinc/32/52/20/1042325220.db2.gz IISISZWJEMIBRK-UHFFFAOYSA-N 0 3 380.879 3.807 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1[O-] ZINC001237683702 1042325226 /nfs/dbraw/zinc/32/52/26/1042325226.db2.gz IISISZWJEMIBRK-UHFFFAOYSA-N 0 3 380.879 3.807 20 10 GHCDHN Cc1cc(Cl)cc(CN2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001237687142 1042327936 /nfs/dbraw/zinc/32/79/36/1042327936.db2.gz RLTUDZMKBDGJOA-DLBZAZTESA-N 0 3 396.915 3.564 20 10 GHCDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@H]1N(C)C ZINC001295851191 1045167259 /nfs/dbraw/zinc/16/72/59/1045167259.db2.gz DCSVDEAXNJQGTP-RTBURBONSA-N 0 3 391.968 3.865 20 10 GHCDHN CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@@H]1N(C)C ZINC001295851189 1045168000 /nfs/dbraw/zinc/16/80/00/1045168000.db2.gz DCSVDEAXNJQGTP-RBUKOAKNSA-N 0 3 391.968 3.865 20 10 GHCDHN Cc1ccc(Cl)c(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001463286499 1070964066 /nfs/dbraw/zinc/96/40/66/1070964066.db2.gz VXRGIQAKWZMARK-LJQANCHMSA-N 0 3 389.927 3.512 20 10 GHCDHN CN(CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000726797814 1048235345 /nfs/dbraw/zinc/23/53/45/1048235345.db2.gz YXLFJASYAUPODC-UHFFFAOYSA-N 0 3 392.500 3.542 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000731848073 1048919342 /nfs/dbraw/zinc/91/93/42/1048919342.db2.gz QNAFZXOYBYMGHT-UHFFFAOYSA-N 0 3 395.459 3.634 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000731848073 1048919347 /nfs/dbraw/zinc/91/93/47/1048919347.db2.gz QNAFZXOYBYMGHT-UHFFFAOYSA-N 0 3 395.459 3.634 20 10 GHCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000731848073 1048919353 /nfs/dbraw/zinc/91/93/53/1048919353.db2.gz QNAFZXOYBYMGHT-UHFFFAOYSA-N 0 3 395.459 3.634 20 10 GHCDHN COc1ccc(N(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC(C)C)cc1 ZINC001307850325 1049632432 /nfs/dbraw/zinc/63/24/32/1049632432.db2.gz OUXHVURJWZVWAC-QFIPXVFZSA-N 0 3 383.536 3.577 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CCCOc4c(F)cccc43)cc2F)CC1 ZINC001308352030 1049955766 /nfs/dbraw/zinc/95/57/66/1049955766.db2.gz DBCYJQBXLNTGFU-FQEVSTJZSA-N 0 3 387.474 3.720 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c1[O-] ZINC001308936686 1050196330 /nfs/dbraw/zinc/19/63/30/1050196330.db2.gz XXXMMOJYOBCYNA-JKSUJKDBSA-N 0 3 381.900 3.854 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c1[O-] ZINC001308936686 1050196341 /nfs/dbraw/zinc/19/63/41/1050196341.db2.gz XXXMMOJYOBCYNA-JKSUJKDBSA-N 0 3 381.900 3.854 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)c1[O-] ZINC001329941748 1050927074 /nfs/dbraw/zinc/92/70/74/1050927074.db2.gz SHXKVEYWAFQAQT-JTQLQIEISA-N 0 3 384.274 3.563 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(-n3cccc3)c2)N(C)C)cc1 ZINC001309974702 1051079138 /nfs/dbraw/zinc/07/91/38/1051079138.db2.gz SFKUJEBPKSGLEO-QFIPXVFZSA-N 0 3 391.519 3.968 20 10 GHCDHN Cc1ccccc1[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001313417143 1053048386 /nfs/dbraw/zinc/04/83/86/1053048386.db2.gz RIJWAWWRJBQCTO-NZQKXSOJSA-N 0 3 394.563 3.863 20 10 GHCDHN CCN1C[C@@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC001313859893 1053258535 /nfs/dbraw/zinc/25/85/35/1053258535.db2.gz LWLJGUUYSDDCKT-RBUKOAKNSA-N 0 3 398.599 3.743 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000848517742 1057144727 /nfs/dbraw/zinc/14/47/27/1057144727.db2.gz FVEYBLBYRHAUGY-BONVTDFDSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000848547075 1057167612 /nfs/dbraw/zinc/16/76/12/1057167612.db2.gz JIIBMBDJLXNFGN-CJNGLKHVSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1[O-] ZINC000848549072 1057170680 /nfs/dbraw/zinc/17/06/80/1057170680.db2.gz KHWUAIGAXZJTCA-CJNGLKHVSA-N 0 3 394.309 3.808 20 10 GHCDHN COC(=O)Cc1ccccc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000848578984 1057192963 /nfs/dbraw/zinc/19/29/63/1057192963.db2.gz PVLRNNFPUQFHTC-UHFFFAOYSA-N 0 3 397.475 3.590 20 10 GHCDHN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001339154538 1058984906 /nfs/dbraw/zinc/98/49/06/1058984906.db2.gz HWRDOWWCZZSKHB-WOJBJXKFSA-N 0 3 378.438 3.911 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)cc1Cl ZINC001350837780 1064199898 /nfs/dbraw/zinc/19/98/98/1064199898.db2.gz KLFOSUSBPFJULP-UHFFFAOYSA-N 0 3 377.891 3.529 20 10 GHCDHN CCCc1csc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001466062030 1065970114 /nfs/dbraw/zinc/97/01/14/1065970114.db2.gz GXOJSAUZNJTBAK-KRWDZBQOSA-N 0 3 375.542 3.586 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C2CCC2)C2CCC2)N(C)C)cc1 ZINC001470908781 1072806752 /nfs/dbraw/zinc/80/67/52/1072806752.db2.gz YDRMTRHBHYLCTO-QFIPXVFZSA-N 0 3 386.584 3.871 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)N(C)C)cc1 ZINC001479533553 1079224329 /nfs/dbraw/zinc/22/43/29/1079224329.db2.gz JANOXGJHROWACP-SFTDATJTSA-N 0 3 395.551 3.543 20 10 GHCDHN CCN1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C ZINC001474379907 1074375666 /nfs/dbraw/zinc/37/56/66/1074375666.db2.gz HYFHREHHLKGMCG-MRXNPFEDSA-N 0 3 380.374 3.965 20 10 GHCDHN COc1c([O-])c(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001474609431 1074483434 /nfs/dbraw/zinc/48/34/34/1074483434.db2.gz GSDPRVTWEHIODX-ULQDDVLXSA-N 0 3 399.491 3.792 20 10 GHCDHN COc1c([O-])c(C[N@H+]2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001474609431 1074483437 /nfs/dbraw/zinc/48/34/37/1074483437.db2.gz GSDPRVTWEHIODX-ULQDDVLXSA-N 0 3 399.491 3.792 20 10 GHCDHN CN(C)c1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1 ZINC000736778989 598887640 /nfs/dbraw/zinc/88/76/40/598887640.db2.gz JLRJSZOTJASCDY-UHFFFAOYSA-N 0 3 390.516 3.951 20 10 GHCDHN COc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1-c1nnn[n-]1 ZINC000826193837 607501346 /nfs/dbraw/zinc/50/13/46/607501346.db2.gz RJPLSVQPBRRQPJ-UHFFFAOYSA-N 0 3 379.464 3.526 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1-c1nnn[n-]1 ZINC000826193837 607501348 /nfs/dbraw/zinc/50/13/48/607501348.db2.gz RJPLSVQPBRRQPJ-UHFFFAOYSA-N 0 3 379.464 3.526 20 10 GHCDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255590641 834523631 /nfs/dbraw/zinc/52/36/31/834523631.db2.gz LTGYZZQQVVHAOL-KRWDZBQOSA-N 0 3 393.491 3.889 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1O ZINC000177087244 835825715 /nfs/dbraw/zinc/82/57/15/835825715.db2.gz KKCFABZFKLDNOR-CYBMUJFWSA-N 0 3 380.916 3.621 20 10 GHCDHN COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725845152 836575184 /nfs/dbraw/zinc/57/51/84/836575184.db2.gz PXKIIIMXLGIDDC-QFIPXVFZSA-N 0 3 379.456 3.900 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000164236466 837878195 /nfs/dbraw/zinc/87/81/95/837878195.db2.gz FIJMYGYBUWJJDD-CVEARBPZSA-N 0 3 375.538 3.926 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163881811 838430896 /nfs/dbraw/zinc/43/08/96/838430896.db2.gz LUBLCAADGQQPGD-QGZVFWFLSA-N 0 3 397.494 3.640 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3c(C)nn(C(C)C)c3C)cc2F)CC1 ZINC000892905738 839379038 /nfs/dbraw/zinc/37/90/38/839379038.db2.gz OSDRBYFYXFBONC-UHFFFAOYSA-N 0 3 387.547 3.652 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000472109799 845934434 /nfs/dbraw/zinc/93/44/34/845934434.db2.gz DPBCBIVTBFKQET-SIKLNZKXSA-N 0 3 376.504 3.731 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280227120 846337944 /nfs/dbraw/zinc/33/79/44/846337944.db2.gz VBTLSGHHXALEPJ-OAQYLSRUSA-N 0 3 381.520 3.610 20 10 GHCDHN COc1cc(O)c(CN[C@H]2CCOc3ccc(Br)cc32)cc1OC ZINC000271777545 846917063 /nfs/dbraw/zinc/91/70/63/846917063.db2.gz BBRVAEYEMHMISE-AWEZNQCLSA-N 0 3 394.265 3.785 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000273485431 847352539 /nfs/dbraw/zinc/35/25/39/847352539.db2.gz NBQAAVVLBOBMPA-MRXNPFEDSA-N 0 3 398.503 3.556 20 10 GHCDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000281235482 851510917 /nfs/dbraw/zinc/51/09/17/851510917.db2.gz MTANTATWBNCMDA-JOCHJYFZSA-N 0 3 384.495 3.820 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000171731595 862712842 /nfs/dbraw/zinc/71/28/42/862712842.db2.gz VLNUCNUZCBHKER-INIZCTEOSA-N 0 3 397.519 3.598 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(COCc2ccccc2)OC)c1[O-] ZINC000702853801 857013274 /nfs/dbraw/zinc/01/32/74/857013274.db2.gz UWMOWNGHOOHYJQ-FQEVSTJZSA-N 0 3 379.884 3.766 20 10 GHCDHN COc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc(OC)c1 ZINC000733334469 862877108 /nfs/dbraw/zinc/87/71/08/862877108.db2.gz KSCRFAQYIDGTLY-GOSISDBHSA-N 0 3 390.911 3.817 20 10 GHCDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281245427 862922709 /nfs/dbraw/zinc/92/27/09/862922709.db2.gz NLROMFNVKYMLTB-HXUWFJFHSA-N 0 3 388.458 3.712 20 10 GHCDHN COc1cc(N2CCN(CC(C)(C)c3ccccc3)CC2)cc(OC)c1OC ZINC000761219961 859461008 /nfs/dbraw/zinc/46/10/08/859461008.db2.gz QUAGFAKWEZIPSN-UHFFFAOYSA-N 0 3 384.520 3.812 20 10 GHCDHN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)ccc1Br ZINC000765004793 859731741 /nfs/dbraw/zinc/73/17/41/859731741.db2.gz XKQGZLHSZUUSJD-DYVFJYSZSA-N 0 3 389.293 3.919 20 10 GHCDHN COc1ccc2c(c1)nccc2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765470369 859984704 /nfs/dbraw/zinc/98/47/04/859984704.db2.gz JRBVIBYOISHHTB-UHFFFAOYSA-N 0 3 381.451 3.956 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)c1ccccc1[O-] ZINC000895850655 860005515 /nfs/dbraw/zinc/00/55/15/860005515.db2.gz DOFFCKUAJSIQPV-ZTFGCOKTSA-N 0 3 376.497 3.505 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000727839509 860288151 /nfs/dbraw/zinc/28/81/51/860288151.db2.gz GVLJUKLPLSZXPI-QFIPXVFZSA-N 0 3 380.536 3.779 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](CNC(=O)OC(C)(C)C)C3)c2c1 ZINC000170638551 860495215 /nfs/dbraw/zinc/49/52/15/860495215.db2.gz LIJGFYNMSVTVCE-OAHLLOKOSA-N 0 3 386.492 3.901 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](CNC(=O)OC(C)(C)C)C3)c2c1 ZINC000170638551 860495220 /nfs/dbraw/zinc/49/52/20/860495220.db2.gz LIJGFYNMSVTVCE-OAHLLOKOSA-N 0 3 386.492 3.901 20 10 GHCDHN COc1ccc(O)c(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000114505789 881628402 /nfs/dbraw/zinc/62/84/02/881628402.db2.gz KZTJKBBNAKSVBL-UHFFFAOYSA-N 0 3 384.388 3.867 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1[O-] ZINC000184670476 864828683 /nfs/dbraw/zinc/82/86/83/864828683.db2.gz SYBAVLYOUQYZQK-UKRRQHHQSA-N 0 3 378.394 3.863 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1 ZINC000736347565 865186548 /nfs/dbraw/zinc/18/65/48/865186548.db2.gz FJSDXIKVWAFLMK-GOSISDBHSA-N 0 3 391.494 3.793 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000740909209 866081954 /nfs/dbraw/zinc/08/19/54/866081954.db2.gz KAJQYLCJAQSHFF-DENIHFKCSA-N 0 3 390.531 3.698 20 10 GHCDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1c1ccccc1 ZINC000741808392 866803838 /nfs/dbraw/zinc/80/38/38/866803838.db2.gz TXCHXYAZFHXNFG-AUSIDOKSSA-N 0 3 379.548 3.837 20 10 GHCDHN Cc1cc(O)c(CNCC(=O)Nc2cc(Br)ccc2C)cc1C ZINC000742368590 867240472 /nfs/dbraw/zinc/24/04/72/867240472.db2.gz JRHZLZHYSNMYLF-UHFFFAOYSA-N 0 3 377.282 3.808 20 10 GHCDHN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000743817522 868441214 /nfs/dbraw/zinc/44/12/14/868441214.db2.gz YGVFGUWBHQAKQY-LJQANCHMSA-N 0 3 380.536 3.559 20 10 GHCDHN Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000744403022 868811829 /nfs/dbraw/zinc/81/18/29/868811829.db2.gz SOHRYVYLIWDETP-GOSISDBHSA-N 0 3 386.467 3.850 20 10 GHCDHN Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000744403022 868811849 /nfs/dbraw/zinc/81/18/49/868811849.db2.gz SOHRYVYLIWDETP-GOSISDBHSA-N 0 3 386.467 3.850 20 10 GHCDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000151534347 869510455 /nfs/dbraw/zinc/51/04/55/869510455.db2.gz WRZOTLPTQGIKPA-KRWDZBQOSA-N 0 3 389.540 3.973 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000746055200 869985637 /nfs/dbraw/zinc/98/56/37/869985637.db2.gz XDKZIGKKUORZSA-QFIPXVFZSA-N 0 3 380.536 3.559 20 10 GHCDHN Cc1nc2ccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)cc2n1C ZINC000793755384 882387252 /nfs/dbraw/zinc/38/72/52/882387252.db2.gz CBMHZGOLZTVTIF-UHFFFAOYSA-N 0 3 391.519 3.664 20 10 GHCDHN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000746417732 870634632 /nfs/dbraw/zinc/63/46/32/870634632.db2.gz RDQHNQUOZMNVPE-HXUWFJFHSA-N 0 3 398.526 3.698 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000182326779 872212440 /nfs/dbraw/zinc/21/24/40/872212440.db2.gz PVRWNCGBIRHSBJ-LLVKDONJSA-N 0 3 384.354 3.589 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000182326762 872212851 /nfs/dbraw/zinc/21/28/51/872212851.db2.gz PVRWNCGBIRHSBJ-NSHDSACASA-N 0 3 384.354 3.589 20 10 GHCDHN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)o1 ZINC000527585877 873322184 /nfs/dbraw/zinc/32/21/84/873322184.db2.gz CBZBSJWFGABEOL-UHFFFAOYSA-N 0 3 376.884 3.958 20 10 GHCDHN Cc1cc(C)c(C(=O)NC2CCN(Cc3cc(Cl)cc(C)c3O)CC2)o1 ZINC000527585877 873322197 /nfs/dbraw/zinc/32/21/97/873322197.db2.gz CBZBSJWFGABEOL-UHFFFAOYSA-N 0 3 376.884 3.958 20 10 GHCDHN CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768466680 873332315 /nfs/dbraw/zinc/33/23/15/873332315.db2.gz ULVFSHLCHRVXBI-QFIPXVFZSA-N 0 3 376.456 3.902 20 10 GHCDHN CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768466680 873332332 /nfs/dbraw/zinc/33/23/32/873332332.db2.gz ULVFSHLCHRVXBI-QFIPXVFZSA-N 0 3 376.456 3.902 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1[O-] ZINC000768893499 873654654 /nfs/dbraw/zinc/65/46/54/873654654.db2.gz SFOZHSADPBOFSG-CYBMUJFWSA-N 0 3 380.282 3.546 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1[O-] ZINC000768893499 873654659 /nfs/dbraw/zinc/65/46/59/873654659.db2.gz SFOZHSADPBOFSG-CYBMUJFWSA-N 0 3 380.282 3.546 20 10 GHCDHN COc1ccccc1CC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000769335088 873974942 /nfs/dbraw/zinc/97/49/42/873974942.db2.gz SZPFYNUEDRMSRR-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1ccccc1CC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000769335088 873974949 /nfs/dbraw/zinc/97/49/49/873974949.db2.gz SZPFYNUEDRMSRR-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000769335898 873977218 /nfs/dbraw/zinc/97/72/18/873977218.db2.gz SHHMQWZCBYCPHD-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN Cc1cccc(C2(O)CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c1C ZINC000769495602 874103265 /nfs/dbraw/zinc/10/32/65/874103265.db2.gz HOHCSNHXAWSEAJ-UHFFFAOYSA-N 0 3 398.522 3.763 20 10 GHCDHN CC(C)OCc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829330 874284785 /nfs/dbraw/zinc/28/47/85/874284785.db2.gz XZZCBQZJSLNNLX-SFHVURJKSA-N 0 3 383.536 3.645 20 10 GHCDHN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834171 874344049 /nfs/dbraw/zinc/34/40/49/874344049.db2.gz KZFZFTUWWYIMCJ-SFHVURJKSA-N 0 3 380.536 3.951 20 10 GHCDHN CC(C)OCCCNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000151830058 875989217 /nfs/dbraw/zinc/98/92/17/875989217.db2.gz IVUROTFSBBCEBN-UHFFFAOYSA-N 0 3 384.520 3.689 20 10 GHCDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000776246817 876016489 /nfs/dbraw/zinc/01/64/89/876016489.db2.gz UNEXLNICWDHDRB-QGZVFWFLSA-N 0 3 386.515 3.726 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000179590549 883011427 /nfs/dbraw/zinc/01/14/27/883011427.db2.gz SZVWHQZMONJOBW-UHFFFAOYSA-N 0 3 395.341 3.688 20 10 GHCDHN Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1[O-] ZINC000179590549 883011440 /nfs/dbraw/zinc/01/14/40/883011440.db2.gz SZVWHQZMONJOBW-UHFFFAOYSA-N 0 3 395.341 3.688 20 10 GHCDHN COc1cc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850096100 876662418 /nfs/dbraw/zinc/66/24/18/876662418.db2.gz JEBQLQCCFYMQOU-HXUWFJFHSA-N 0 3 382.504 3.589 20 10 GHCDHN Cc1nn(-c2ccc(C)cc2)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406383 876888640 /nfs/dbraw/zinc/88/86/40/876888640.db2.gz FFKNRZJGDBDQAO-UHFFFAOYSA-N 0 3 390.531 3.740 20 10 GHCDHN C[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(N(C)C)cc1 ZINC000786786585 876939098 /nfs/dbraw/zinc/93/90/98/876939098.db2.gz ZAKQBKMNBKWMEB-BTYIYWSLSA-N 0 3 387.474 3.873 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850500507 876975518 /nfs/dbraw/zinc/97/55/18/876975518.db2.gz HIIDMVRTQGSEEJ-WBMJQRKESA-N 0 3 389.293 3.701 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1[O-] ZINC000850573160 877038818 /nfs/dbraw/zinc/03/88/18/877038818.db2.gz VJRGLYMQINFEHO-IIYDPXPESA-N 0 3 394.309 3.979 20 10 GHCDHN CC1(C)C[C@@H](NCc2ccc(N3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000788578637 878181412 /nfs/dbraw/zinc/18/14/12/878181412.db2.gz CJSLUHZIDUJHMA-OAQYLSRUSA-N 0 3 381.476 3.944 20 10 GHCDHN COCCCN(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)C1CCN(C)CC1 ZINC000854527440 879881548 /nfs/dbraw/zinc/88/15/48/879881548.db2.gz LEFPYWLSSAQPEH-UHFFFAOYSA-N 0 3 397.563 3.596 20 10 GHCDHN COc1ccc(N2CC[C@H](NC(=O)c3oc4ccccc4c3CN(C)C)C2)cc1 ZINC000855229954 880374516 /nfs/dbraw/zinc/37/45/16/880374516.db2.gz DDAUCOXKVRKXOD-INIZCTEOSA-N 0 3 393.487 3.512 20 10 GHCDHN CCOc1cccc(CN[C@@](C)(CO)c2cccc(Br)c2)c1O ZINC000898168507 884624882 /nfs/dbraw/zinc/62/48/82/884624882.db2.gz HVQADQVYDFYIIS-SFHVURJKSA-N 0 3 380.282 3.551 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1[O-] ZINC001183874595 912867956 /nfs/dbraw/zinc/86/79/56/912867956.db2.gz BALQORDLXFKTPR-MHRLRVJTSA-N 0 3 384.314 3.525 20 10 GHCDHN CSCC[C@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C ZINC000806663167 884921690 /nfs/dbraw/zinc/92/16/90/884921690.db2.gz SSPUSOMSZXDIRS-XLIONFOSSA-N 0 3 377.598 3.928 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000807621417 885574869 /nfs/dbraw/zinc/57/48/69/885574869.db2.gz YRUHJRZAVMTNTN-NQIIRXRSSA-N 0 3 381.520 3.977 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1[O-] ZINC000155048209 886103945 /nfs/dbraw/zinc/10/39/45/886103945.db2.gz JDBIDBNETKBWHF-HXUWFJFHSA-N 0 3 388.533 3.595 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1[O-] ZINC000808447659 886358952 /nfs/dbraw/zinc/35/89/52/886358952.db2.gz SNAZCCOWNPUGAJ-CQSZACIVSA-N 0 3 393.325 3.773 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c1[O-] ZINC000808693151 886647950 /nfs/dbraw/zinc/64/79/50/886647950.db2.gz XUCOOZZAXNHULI-DYESRHJHSA-N 0 3 387.955 3.993 20 10 GHCDHN COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(Cl)cc(C)c3[O-])C2=O)cc1 ZINC000808707543 886687646 /nfs/dbraw/zinc/68/76/46/886687646.db2.gz RQZBQVWEIGOZPH-IFXJQAMLSA-N 0 3 388.895 3.814 20 10 GHCDHN C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546700 887205680 /nfs/dbraw/zinc/20/56/80/887205680.db2.gz MYRFRTYDRKSGGT-KKZNHRDASA-N 0 3 392.135 3.708 20 10 GHCDHN C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546703 887205983 /nfs/dbraw/zinc/20/59/83/887205983.db2.gz MYRFRTYDRKSGGT-YWVKMMECSA-N 0 3 392.135 3.708 20 10 GHCDHN O=C1CCCN1C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809565798 887545495 /nfs/dbraw/zinc/54/54/95/887545495.db2.gz APGJWEBOUUXGCX-UHFFFAOYSA-N 0 3 389.543 3.836 20 10 GHCDHN CN(Cc1ccccc1O)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000120291078 888080478 /nfs/dbraw/zinc/08/04/78/888080478.db2.gz AISODRRVVCFEQB-HXUWFJFHSA-N 0 3 392.421 3.805 20 10 GHCDHN CCOc1ccc(C[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)c([O-])c1 ZINC000747625023 888822322 /nfs/dbraw/zinc/82/23/22/888822322.db2.gz XYAREPJINZJRDF-UHFFFAOYSA-N 0 3 392.883 3.880 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000811512318 889705014 /nfs/dbraw/zinc/70/50/14/889705014.db2.gz LSIIZWOFVKVAQA-MJGOQNOKSA-N 0 3 376.294 3.719 20 10 GHCDHN COc1cccc([C@@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001134686432 893201908 /nfs/dbraw/zinc/20/19/08/893201908.db2.gz KDWWNSLDNQKNAI-HTAPYJJXSA-N 0 3 383.536 3.674 20 10 GHCDHN Cc1cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)ccc1N(C)C ZINC000815060051 893400602 /nfs/dbraw/zinc/40/06/02/893400602.db2.gz IHXSGAIOYSTAOM-UHFFFAOYSA-N 0 3 379.548 3.728 20 10 GHCDHN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000815154514 893492550 /nfs/dbraw/zinc/49/25/50/893492550.db2.gz DHYYGSKIWXOIND-YWZLYKJASA-N 0 3 387.474 3.873 20 10 GHCDHN C[C@@H]1CCc2c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)csc2C1 ZINC001134882277 893504813 /nfs/dbraw/zinc/50/48/13/893504813.db2.gz OEAIYNTWONUBNQ-FOIQADDNSA-N 0 3 385.577 3.972 20 10 GHCDHN OC[C@H]1C=C[C@@H](N(Cc2cccs2)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532186 893668180 /nfs/dbraw/zinc/66/81/80/893668180.db2.gz STIYRJRUWYDJEX-PZJWPPBQSA-N 0 3 398.572 3.648 20 10 GHCDHN CC(C)(C)OC(=O)C1(C)CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877607072 893714571 /nfs/dbraw/zinc/71/45/71/893714571.db2.gz WAJDEBDIKQYRQN-UHFFFAOYSA-N 0 3 388.552 3.592 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000774854618 913801804 /nfs/dbraw/zinc/80/18/04/913801804.db2.gz YEISRVIZCDRENW-QFBILLFUSA-N 0 3 399.491 3.966 20 10 GHCDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000774854618 913801826 /nfs/dbraw/zinc/80/18/26/913801826.db2.gz YEISRVIZCDRENW-QFBILLFUSA-N 0 3 399.491 3.966 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877694049 893767530 /nfs/dbraw/zinc/76/75/30/893767530.db2.gz YBBPDCCKECWJNM-FUHWJXTLSA-N 0 3 381.394 3.574 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877694049 893767542 /nfs/dbraw/zinc/76/75/42/893767542.db2.gz YBBPDCCKECWJNM-FUHWJXTLSA-N 0 3 381.394 3.574 20 10 GHCDHN OC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C(F)(F)F ZINC000877694049 893767552 /nfs/dbraw/zinc/76/75/52/893767552.db2.gz YBBPDCCKECWJNM-FUHWJXTLSA-N 0 3 381.394 3.574 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000748049790 894555037 /nfs/dbraw/zinc/55/50/37/894555037.db2.gz RHGGKDOUZSHSQU-UHFFFAOYSA-N 0 3 392.927 3.909 20 10 GHCDHN CCN1CCN(Cc2ccccc2C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816535134 894904027 /nfs/dbraw/zinc/90/40/27/894904027.db2.gz HFCDCTDCHCTIJV-UHFFFAOYSA-N 0 3 391.918 3.612 20 10 GHCDHN CC(C)[C@]1(CO)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000816662723 895009003 /nfs/dbraw/zinc/00/90/03/895009003.db2.gz WZBWGYOUWQYDFM-OAQYLSRUSA-N 0 3 375.513 3.816 20 10 GHCDHN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000774909403 914006256 /nfs/dbraw/zinc/00/62/56/914006256.db2.gz MOQKSDADIJCFGF-GOSISDBHSA-N 0 3 399.491 3.653 20 10 GHCDHN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000774909403 914006272 /nfs/dbraw/zinc/00/62/72/914006272.db2.gz MOQKSDADIJCFGF-GOSISDBHSA-N 0 3 399.491 3.653 20 10 GHCDHN CC[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)ccc1[O-] ZINC000817939541 895968323 /nfs/dbraw/zinc/96/83/23/895968323.db2.gz DXRQPIORERTRFF-QGZVFWFLSA-N 0 3 378.314 3.770 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3nc4ccc(Cl)cc4n3C)C2)cc1 ZINC000818222540 896087857 /nfs/dbraw/zinc/08/78/57/896087857.db2.gz UQZCYMQAJPGMEZ-OAHLLOKOSA-N 0 3 384.911 3.851 20 10 GHCDHN CN(C)Cc1cnc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 ZINC000796281839 914116697 /nfs/dbraw/zinc/11/66/97/914116697.db2.gz ZVCKZLNUXCRZSA-UHFFFAOYSA-N 0 3 396.507 3.565 20 10 GHCDHN COCC1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOCC1 ZINC000821332208 897824526 /nfs/dbraw/zinc/82/45/26/897824526.db2.gz LEWZRTBCAHWPTM-UHFFFAOYSA-N 0 3 382.464 3.826 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000796294230 914204153 /nfs/dbraw/zinc/20/41/53/914204153.db2.gz NPVTWMIGXCFBGK-GOSISDBHSA-N 0 3 389.499 3.637 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(OC)c2ccccc2)c1[O-] ZINC000824780576 899801647 /nfs/dbraw/zinc/80/16/47/899801647.db2.gz VDUCZTPNXIBHAU-SFHVURJKSA-N 0 3 380.282 3.815 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1[O-] ZINC000825118757 899991046 /nfs/dbraw/zinc/99/10/46/899991046.db2.gz WZQFTEQJABJWJR-VYDXJSESSA-N 0 3 379.888 3.538 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC(OCCOC(C)C)CC2)c1O ZINC000825207426 900026929 /nfs/dbraw/zinc/02/69/29/900026929.db2.gz JTNCEEBBNAEQDF-UHFFFAOYSA-N 0 3 386.330 3.869 20 10 GHCDHN Cc1cc(Br)cc(C[NH+]2CCC(OCCOC(C)C)CC2)c1[O-] ZINC000825207426 900026940 /nfs/dbraw/zinc/02/69/40/900026940.db2.gz JTNCEEBBNAEQDF-UHFFFAOYSA-N 0 3 386.330 3.869 20 10 GHCDHN CCc1cccc2cc(CNCc3ccc(N4CCC(C(N)=O)CC4)cc3)oc21 ZINC000886325207 900932921 /nfs/dbraw/zinc/93/29/21/900932921.db2.gz YLKFRLCWNFPKGU-UHFFFAOYSA-N 0 3 391.515 3.987 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@@H]3CCSc4ccccc43)cc2)CC1 ZINC000886747630 901252478 /nfs/dbraw/zinc/25/24/78/901252478.db2.gz ZZXXANOHPUQFDS-HXUWFJFHSA-N 0 3 381.545 3.715 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c2c1c(F)ccc2[O-] ZINC000886749188 901254066 /nfs/dbraw/zinc/25/40/66/901254066.db2.gz LUTSRPCPKDDKRO-AUUYWEPGSA-N 0 3 397.494 3.571 20 10 GHCDHN Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846123394 902700037 /nfs/dbraw/zinc/70/00/37/902700037.db2.gz QCZPBLGMBNKQEJ-OAQYLSRUSA-N 0 3 390.483 3.837 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1[O-] ZINC000779013455 902803447 /nfs/dbraw/zinc/80/34/47/902803447.db2.gz RDUTYJRDKPGDSJ-GFCCVEGCSA-N 0 3 395.272 3.683 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1[O-] ZINC000779031219 903198139 /nfs/dbraw/zinc/19/81/39/903198139.db2.gz YTGBZGLGILLYNG-QGTPRVQTSA-N 0 3 397.357 3.757 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000103604242 903886108 /nfs/dbraw/zinc/88/61/08/903886108.db2.gz MBJMZUJVPIOIHR-UZLBHIALSA-N 0 3 383.492 3.598 20 10 GHCDHN Cc1n[nH]cc1[C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779165337 905090175 /nfs/dbraw/zinc/09/01/75/905090175.db2.gz PMYOQSXJIYWVEG-LIRRHRJNSA-N 0 3 387.528 3.701 20 10 GHCDHN CN(C)C(=O)CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183169919 907342070 /nfs/dbraw/zinc/34/20/70/907342070.db2.gz XZVYCKZTIPJYGW-UHFFFAOYSA-N 0 3 382.504 3.662 20 10 GHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC001175418587 907542332 /nfs/dbraw/zinc/54/23/32/907542332.db2.gz LUPNQYXVIBYALF-HUUCEWRRSA-N 0 3 376.884 3.622 20 10 GHCDHN COc1cccc([O-])c1C[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000779596772 907835643 /nfs/dbraw/zinc/83/56/43/907835643.db2.gz LLKYGSDKZXNJCV-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CNCc2ccc(-n3cncn3)nc2)cc1 ZINC001177256199 908493598 /nfs/dbraw/zinc/49/35/98/908493598.db2.gz AZORDCQXWPDMON-UHFFFAOYSA-N 0 3 390.516 3.650 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1N1CCN(C)CC1 ZINC001177748473 908735424 /nfs/dbraw/zinc/73/54/24/908735424.db2.gz BUDPSNLCYWYOHV-QGZVFWFLSA-N 0 3 383.511 3.753 20 10 GHCDHN COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2ccccc12 ZINC001180179733 909978101 /nfs/dbraw/zinc/97/81/01/909978101.db2.gz RMNZPQXGRFDPGZ-QFIPXVFZSA-N 0 3 391.515 3.947 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000268812428 910028751 /nfs/dbraw/zinc/02/87/51/910028751.db2.gz FGDMMDHYFZRZEO-KRWDZBQOSA-N 0 3 394.494 3.823 20 10 GHCDHN CC[C@@H]1CN(C)CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001181988328 911111798 /nfs/dbraw/zinc/11/17/98/911111798.db2.gz YPESPXRUDHFNAK-QGZVFWFLSA-N 0 3 380.374 3.965 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000284670137 911979408 /nfs/dbraw/zinc/97/94/08/911979408.db2.gz QFTSLVWZNRGRRF-JTHBVZDNSA-N 0 3 376.456 3.986 20 10 GHCDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303707611 915069043 /nfs/dbraw/zinc/06/90/43/915069043.db2.gz BZWGDZMOHRPKJK-XLIONFOSSA-N 0 3 383.511 3.728 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000775201498 916220924 /nfs/dbraw/zinc/22/09/24/916220924.db2.gz UJILUVXNIQBLJN-KRWDZBQOSA-N 0 3 379.884 3.705 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1[O-] ZINC000775201498 916220945 /nfs/dbraw/zinc/22/09/45/916220945.db2.gz UJILUVXNIQBLJN-KRWDZBQOSA-N 0 3 379.884 3.705 20 10 GHCDHN CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000775258176 916694736 /nfs/dbraw/zinc/69/47/36/916694736.db2.gz SFDSRTHFJZVNKG-VGOFRKELSA-N 0 3 397.519 3.600 20 10 GHCDHN CCC[C@@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775260101 916706272 /nfs/dbraw/zinc/70/62/72/916706272.db2.gz NAWZRDQIBJVVLI-AUSIDOKSSA-N 0 3 395.547 3.831 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000294909398 917047570 /nfs/dbraw/zinc/04/75/70/917047570.db2.gz WJJOXIVJRLQDFM-PZJWPPBQSA-N 0 3 383.488 3.578 20 10 GHCDHN C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000775407381 917530204 /nfs/dbraw/zinc/53/02/04/917530204.db2.gz TVURXPYKGBZFTC-HXUWFJFHSA-N 0 3 394.563 3.532 20 10 GHCDHN Cc1cc(Br)cc(CNCc2cnc(C(F)(F)F)nc2)c1O ZINC000826838984 924226847 /nfs/dbraw/zinc/22/68/47/924226847.db2.gz MOCARVYDDKMTML-UHFFFAOYSA-N 0 3 376.176 3.562 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000725848408 926466538 /nfs/dbraw/zinc/46/65/38/926466538.db2.gz SCBIPCQPLZVDOF-AWEZNQCLSA-N 0 3 391.309 3.779 20 10 GHCDHN C[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000753764154 929523565 /nfs/dbraw/zinc/52/35/65/929523565.db2.gz RROMQEDXTIJAGN-FXAWDEMLSA-N 0 3 388.939 3.821 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCOc4cc(F)ccc43)cc2)C1 ZINC000781892654 931014235 /nfs/dbraw/zinc/01/42/35/931014235.db2.gz XIHHWKCGHHFYLM-LAUBAEHRSA-N 0 3 397.494 3.531 20 10 GHCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3cc(Br)cc(C)c3[O-])CC2)n[nH]1 ZINC000784056915 931769721 /nfs/dbraw/zinc/76/97/21/931769721.db2.gz RTRNWTOBXFCPJK-CYBMUJFWSA-N 0 3 393.329 3.814 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cc(F)ccc1[O-] ZINC000926993185 932373635 /nfs/dbraw/zinc/37/36/35/932373635.db2.gz CNVWNDFXUFCDHD-MTRWXTFGSA-N 0 3 379.472 3.851 20 10 GHCDHN CC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000798934865 932823055 /nfs/dbraw/zinc/82/30/55/932823055.db2.gz GWARTJRRJGPSRS-QGZVFWFLSA-N 0 3 396.940 3.763 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cc2Cl)C1 ZINC000799938656 933178006 /nfs/dbraw/zinc/17/80/06/933178006.db2.gz DMURZNJDSBODJK-DOTOQJQBSA-N 0 3 390.959 3.612 20 10 GHCDHN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccccc1N1CCCC1 ZINC001116439499 933558918 /nfs/dbraw/zinc/55/89/18/933558918.db2.gz DBBCOULSEZXJTF-UHFFFAOYSA-N 0 3 396.554 3.810 20 10 GHCDHN COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C(=O)[O-])ccc3[O-])CC2)cc1 ZINC001599562598 998228355 /nfs/dbraw/zinc/22/83/55/998228355.db2.gz HJGHFFPNFQOQNO-INIZCTEOSA-N 0 3 398.503 3.662 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(F)F)nc2)N(C)C)cc1 ZINC000931911747 1018074732 /nfs/dbraw/zinc/07/47/32/1018074732.db2.gz RDMZMFDASLXGRK-KRWDZBQOSA-N 0 3 377.439 3.510 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204323127 1032768749 /nfs/dbraw/zinc/76/87/49/1032768749.db2.gz FDBSHWFMTJBHPK-UHFFFAOYSA-N 0 3 385.533 3.521 20 10 GHCDHN O=C(NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1)c1ccc(F)cc1 ZINC001204329015 1032772463 /nfs/dbraw/zinc/77/24/63/1032772463.db2.gz BJOQIPJVUFKSAO-UHFFFAOYSA-N 0 3 381.495 3.820 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@@H](c3ccccn3)C2)c1O ZINC001204338412 1032779204 /nfs/dbraw/zinc/77/92/04/1032779204.db2.gz GNRLSFGKKKCZHD-CYBMUJFWSA-N 0 3 377.282 3.938 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)CC2 ZINC000834901508 1021649470 /nfs/dbraw/zinc/64/94/70/1021649470.db2.gz BCPNUIVXJADEKI-CXAGYDPISA-N 0 3 394.284 3.722 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1[O-] ZINC000834909507 1021668110 /nfs/dbraw/zinc/66/81/10/1021668110.db2.gz AEOHDCHMABGAQL-YPMHNXCESA-N 0 3 392.297 3.844 20 10 GHCDHN CN(C)c1ccc(/C=C/CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000835025959 1021781154 /nfs/dbraw/zinc/78/11/54/1021781154.db2.gz PAVXQAGTFWVFBO-ONEGZZNKSA-N 0 3 381.495 3.799 20 10 GHCDHN Cc1nc2ccccn2c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000754340468 1022630484 /nfs/dbraw/zinc/63/04/84/1022630484.db2.gz ARYDLFRPVWWTPV-GOSISDBHSA-N 0 3 384.911 3.756 20 10 GHCDHN CCN(CC)c1ccc(CN2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001140855437 1022709563 /nfs/dbraw/zinc/70/95/63/1022709563.db2.gz YYOXJEPSQWVZAS-UHFFFAOYSA-N 0 3 380.492 3.702 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CCN(CC4CC4)C3=O)CC2)c(Cl)c1 ZINC001140926458 1022903334 /nfs/dbraw/zinc/90/33/34/1022903334.db2.gz LZPBKEOJXZBLMX-UHFFFAOYSA-N 0 3 375.944 3.631 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000754832642 1022920230 /nfs/dbraw/zinc/92/02/30/1022920230.db2.gz INBRICCJVQHPAQ-PXNSSMCTSA-N 0 3 392.858 3.645 20 10 GHCDHN Cc1cc(CN2CCc3c(Cl)c(O)c(O)cc3[C@@H](c3ccc(O)cc3)C2)n[nH]1 ZINC001203081548 1022965415 /nfs/dbraw/zinc/96/54/15/1022965415.db2.gz WQDPNPNGSSZSLS-GOSISDBHSA-N 0 3 399.878 3.679 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950407 1022972207 /nfs/dbraw/zinc/97/22/07/1022972207.db2.gz SAPNJBMDKCZSMN-PKTZIBPZSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950407 1022972208 /nfs/dbraw/zinc/97/22/08/1022972208.db2.gz SAPNJBMDKCZSMN-PKTZIBPZSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950337 1022972298 /nfs/dbraw/zinc/97/22/98/1022972298.db2.gz QUHMXHRVGXQPPN-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950337 1022972300 /nfs/dbraw/zinc/97/23/00/1022972300.db2.gz QUHMXHRVGXQPPN-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001140954004 1022988423 /nfs/dbraw/zinc/98/84/23/1022988423.db2.gz IONFZBJEFISDCK-GJZGRUSLSA-N 0 3 388.430 3.978 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(OCc3ccccc3F)CC2)c(OC)c1 ZINC001141028534 1023276856 /nfs/dbraw/zinc/27/68/56/1023276856.db2.gz SRXVVWAEYMIQIJ-UHFFFAOYSA-N 0 3 375.440 3.730 20 10 GHCDHN Cc1ccc(N2C[C@]3(CCN(Cc4ccc5c(c4)OCCN5C)C3)CC2=O)s1 ZINC001141140470 1023569574 /nfs/dbraw/zinc/56/95/74/1023569574.db2.gz FPBMTPRQCXFEHV-JOCHJYFZSA-N 0 3 397.544 3.514 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2ccc(N(C)C)cc2)cc1 ZINC000756362760 1023607646 /nfs/dbraw/zinc/60/76/46/1023607646.db2.gz LMIPGUOIXCUIKX-FGZHOGPDSA-N 0 3 386.561 3.936 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000756389347 1023624774 /nfs/dbraw/zinc/62/47/74/1023624774.db2.gz CBSJIBLQYPRTRM-DNVCBOLYSA-N 0 3 397.494 3.772 20 10 GHCDHN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000756442165 1023651776 /nfs/dbraw/zinc/65/17/76/1023651776.db2.gz AHIRFMSDJCYYBC-SUMWQHHRSA-N 0 3 392.496 3.556 20 10 GHCDHN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)c4c3c([O-])ccc4F)C2)c1 ZINC000756639025 1023748705 /nfs/dbraw/zinc/74/87/05/1023748705.db2.gz UZZFFOZHWOCAIU-BIENJYKASA-N 0 3 386.467 3.965 20 10 GHCDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)c1cccc(C(F)(F)F)c1 ZINC001141163331 1023989682 /nfs/dbraw/zinc/98/96/82/1023989682.db2.gz ZXKQNUNZUPYVIV-UHFFFAOYSA-N 0 3 394.393 3.511 20 10 GHCDHN Cc1c(CN2CCc3ncc(CN4CCCCC4)n3CC2)c2ccccc2n1C ZINC001138255832 1024480423 /nfs/dbraw/zinc/48/04/23/1024480423.db2.gz UYPLOCDYNYCRQS-UHFFFAOYSA-N 0 3 391.563 3.727 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c(OC)c1 ZINC001138387892 1024762435 /nfs/dbraw/zinc/76/24/35/1024762435.db2.gz PDIVLVWLPAZVGR-OAQYLSRUSA-N 0 3 399.579 3.812 20 10 GHCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](c2ccccc2)C1 ZINC001138499725 1024933125 /nfs/dbraw/zinc/93/31/25/1024933125.db2.gz GKNDDCGBJJQWLV-GGAORHGYSA-N 0 3 394.515 3.650 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cc(Br)ccc1N1CCOCC1 ZINC001138671438 1025193948 /nfs/dbraw/zinc/19/39/48/1025193948.db2.gz NITOTFGVYYQHNH-UHFFFAOYSA-N 0 3 391.309 3.623 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cc(Br)ccc1N1CCOCC1 ZINC001138671438 1025193956 /nfs/dbraw/zinc/19/39/56/1025193956.db2.gz NITOTFGVYYQHNH-UHFFFAOYSA-N 0 3 391.309 3.623 20 10 GHCDHN CC(C)N1CC[C@H](NCc2ccc(N3CCCCC3)c(Br)c2)C1=O ZINC000838960464 1025477850 /nfs/dbraw/zinc/47/78/50/1025477850.db2.gz ZUOVGTXJHXTSLJ-KRWDZBQOSA-N 0 3 394.357 3.538 20 10 GHCDHN CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1COCC12OCCO2 ZINC000839177111 1025686129 /nfs/dbraw/zinc/68/61/29/1025686129.db2.gz VGBXJCXLBIGOSW-NRFANRHFSA-N 0 3 383.488 3.565 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccccc3-c3cnco3)CC2)cc1 ZINC001164333678 1026487944 /nfs/dbraw/zinc/48/79/44/1026487944.db2.gz BWBHLQKRUHQKBP-UHFFFAOYSA-N 0 3 392.503 3.974 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140055216 1026835170 /nfs/dbraw/zinc/83/51/70/1026835170.db2.gz BPVCZCKIBJQYGV-FGZHOGPDSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140055216 1026835179 /nfs/dbraw/zinc/83/51/79/1026835179.db2.gz BPVCZCKIBJQYGV-FGZHOGPDSA-N 0 3 386.467 3.514 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3nccc4ccccc43)cc2F)CC1 ZINC001461154701 1069415835 /nfs/dbraw/zinc/41/58/35/1069415835.db2.gz AJXOYLJKSTZKTA-UHFFFAOYSA-N 0 3 378.495 3.806 20 10 GHCDHN CCN(CC)c1ccc(CNCc2cc(C(=O)OC)c3n2CCCC3)cc1F ZINC001461181162 1069429819 /nfs/dbraw/zinc/42/98/19/1069429819.db2.gz KHBJXYWFXDUIHS-UHFFFAOYSA-N 0 3 387.499 3.886 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3c(F)cccc3F)CC1)[C@H](O)CO2 ZINC000840142667 1027272757 /nfs/dbraw/zinc/27/27/57/1027272757.db2.gz GKTAYELPUGSOJP-HXUWFJFHSA-N 0 3 375.415 3.551 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC001203552027 1027430611 /nfs/dbraw/zinc/43/06/11/1027430611.db2.gz XPZOOFIYBHOOSP-UHFFFAOYSA-N 0 3 385.471 3.877 20 10 GHCDHN CCOc1cccc(C[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC001203604005 1027469603 /nfs/dbraw/zinc/46/96/03/1027469603.db2.gz YPCHRBDVDDSXKP-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1cccc(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC001203604005 1027469610 /nfs/dbraw/zinc/46/96/10/1027469610.db2.gz YPCHRBDVDDSXKP-UHFFFAOYSA-N 0 3 378.513 3.870 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001203622157 1027484377 /nfs/dbraw/zinc/48/43/77/1027484377.db2.gz RDXJSYPXRBWHPA-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001203659666 1027517018 /nfs/dbraw/zinc/51/70/18/1027517018.db2.gz XFQLFNVVLQTBMM-UHFFFAOYSA-N 0 3 386.923 3.913 20 10 GHCDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841301215 1028392676 /nfs/dbraw/zinc/39/26/76/1028392676.db2.gz GENZVPOCRGXUQG-UHFFFAOYSA-N 0 3 391.313 3.627 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000841998258 1029026838 /nfs/dbraw/zinc/02/68/38/1029026838.db2.gz QPYQTJLQJAHIET-HSZRJFAPSA-N 0 3 392.547 3.705 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000842905042 1029674902 /nfs/dbraw/zinc/67/49/02/1029674902.db2.gz ZIASAJFJVUYZJR-UKRRQHHQSA-N 0 3 379.472 3.808 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)N(C)C)cc1 ZINC001221941364 1029901333 /nfs/dbraw/zinc/90/13/33/1029901333.db2.gz KKBGPTKZNXOSHH-XZOQPEGZSA-N 0 3 394.563 3.676 20 10 GHCDHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(OC)cc1 ZINC001223803742 1030759420 /nfs/dbraw/zinc/75/94/20/1030759420.db2.gz VIKZYQRORNJNEO-VXKWHMMOSA-N 0 3 398.551 3.814 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)N(C)C)cc1 ZINC001218818832 1031095941 /nfs/dbraw/zinc/09/59/41/1031095941.db2.gz MGNVJKQAIFOXGU-SIKLNZKXSA-N 0 3 396.535 3.681 20 10 GHCDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cc1 ZINC001224784890 1031119873 /nfs/dbraw/zinc/11/98/73/1031119873.db2.gz ZKQUVAQYUUVURL-LEWJYISDSA-N 0 3 386.515 3.945 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](c2ccccc2)C(F)F)N(C)C)cc1 ZINC001205470335 1033427245 /nfs/dbraw/zinc/42/72/45/1033427245.db2.gz OFOJXTKQHVNPKW-MOPGFXCFSA-N 0 3 390.478 3.661 20 10 GHCDHN CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427738 1033768292 /nfs/dbraw/zinc/76/82/92/1033768292.db2.gz VRWMGWBLRKOWNP-LIRRHRJNSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427738 1033768305 /nfs/dbraw/zinc/76/83/05/1033768305.db2.gz VRWMGWBLRKOWNP-LIRRHRJNSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1[O-] ZINC001277439779 1033852140 /nfs/dbraw/zinc/85/21/40/1033852140.db2.gz RNBPAOHUBQIINY-KRWDZBQOSA-N 0 3 390.833 3.731 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1[O-] ZINC001277439779 1033852159 /nfs/dbraw/zinc/85/21/59/1033852159.db2.gz RNBPAOHUBQIINY-KRWDZBQOSA-N 0 3 390.833 3.731 20 10 GHCDHN [NH3+]CCC1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001206506828 1033880579 /nfs/dbraw/zinc/88/05/79/1033880579.db2.gz RXODGLFWPYVVMP-UHFFFAOYSA-N 0 3 381.236 3.734 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](C(F)F)C2CCCCC2)N(C)C)cc1 ZINC001207756032 1034559404 /nfs/dbraw/zinc/55/94/04/1034559404.db2.gz OAURKCYDOGVUQM-RTBURBONSA-N 0 3 396.526 3.869 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001207829014 1034605934 /nfs/dbraw/zinc/60/59/34/1034605934.db2.gz WTTUNMJFBSBMBJ-WMLDXEAASA-N 0 3 396.478 3.889 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001207829014 1034605951 /nfs/dbraw/zinc/60/59/51/1034605951.db2.gz WTTUNMJFBSBMBJ-WMLDXEAASA-N 0 3 396.478 3.889 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC001231469319 1034614333 /nfs/dbraw/zinc/61/43/33/1034614333.db2.gz ZTUFIPKHHNFKOG-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CCC(Oc2ncccn2)CC1 ZINC001231469319 1034614335 /nfs/dbraw/zinc/61/43/35/1034614335.db2.gz ZTUFIPKHHNFKOG-UHFFFAOYSA-N 0 3 391.471 3.805 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001231587888 1034742916 /nfs/dbraw/zinc/74/29/16/1034742916.db2.gz OQLKKDXRXLDENQ-AMHTUMDSSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001231587888 1034742931 /nfs/dbraw/zinc/74/29/31/1034742931.db2.gz OQLKKDXRXLDENQ-AMHTUMDSSA-N 0 3 390.483 3.999 20 10 GHCDHN COc1cc(N(C)C)ccc1CN(C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231858035 1034946876 /nfs/dbraw/zinc/94/68/76/1034946876.db2.gz QHRUGUZFNXUZDD-LJQANCHMSA-N 0 3 391.556 3.981 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@@H](C)CC2)c1O ZINC001248391235 1035801133 /nfs/dbraw/zinc/80/11/33/1035801133.db2.gz OTHJUELYSIXEQG-LLVKDONJSA-N 0 3 375.250 3.627 20 10 GHCDHN COc1cc(I)cc(CN2CCC[C@@H](C)[C@@H]2C)c1O ZINC001248401185 1035814912 /nfs/dbraw/zinc/81/49/12/1035814912.db2.gz QNWXQXRIPYTEFS-MNOVXSKESA-N 0 3 375.250 3.626 20 10 GHCDHN CCOc1cc(NC2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)ncn1 ZINC001462050717 1069967505 /nfs/dbraw/zinc/96/75/05/1069967505.db2.gz IGAFIXCZCFKKAV-AATRIKPKSA-N 0 3 381.524 3.531 20 10 GHCDHN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001462303605 1070156074 /nfs/dbraw/zinc/15/60/74/1070156074.db2.gz IUVIQYLEQGRPFI-QFIPXVFZSA-N 0 3 393.531 3.960 20 10 GHCDHN CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)n1 ZINC001233110089 1038898922 /nfs/dbraw/zinc/89/89/22/1038898922.db2.gz SDDAVQVYUPEVDT-GFCCVEGCSA-N 0 3 380.286 3.788 20 10 GHCDHN CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)n1 ZINC001233110089 1038898941 /nfs/dbraw/zinc/89/89/41/1038898941.db2.gz SDDAVQVYUPEVDT-GFCCVEGCSA-N 0 3 380.286 3.788 20 10 GHCDHN CCc1noc([C@@H]2CCCN(Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233110089 1038898961 /nfs/dbraw/zinc/89/89/61/1038898961.db2.gz SDDAVQVYUPEVDT-GFCCVEGCSA-N 0 3 380.286 3.788 20 10 GHCDHN Cc1cc(Br)cc(CN2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001233109793 1038900023 /nfs/dbraw/zinc/90/00/23/1038900023.db2.gz DYXRSQSRBJRXRB-SFHVURJKSA-N 0 3 375.310 3.952 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)c2ccccc2)N(C)C)cc1 ZINC001252800822 1039178071 /nfs/dbraw/zinc/17/80/71/1039178071.db2.gz GWIHIZVDWOPJAC-NRFANRHFSA-N 0 3 382.552 3.632 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(NC(=O)C4CCCC4)CC3)c2c1 ZINC001234552610 1040121948 /nfs/dbraw/zinc/12/19/48/1040121948.db2.gz BUYIPZOYDJCNHM-UHFFFAOYSA-N 0 3 382.504 3.825 20 10 GHCDHN COc1ccc(N2CCN(C3CCN(c4ccc(F)cc4)CC3)CC2)c(OC)c1 ZINC001254633875 1040410597 /nfs/dbraw/zinc/41/05/97/1040410597.db2.gz XARDWBYBXCGILY-UHFFFAOYSA-N 0 3 399.510 3.634 20 10 GHCDHN CCOC[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)Cc2c1cnn2C ZINC001235001571 1040494178 /nfs/dbraw/zinc/49/41/78/1040494178.db2.gz NLSRABIXRNWSPE-IBGZPJMESA-N 0 3 377.488 3.929 20 10 GHCDHN COc1ccc2c(c1)C1(CC[NH2+]CC1)N(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001235020306 1040510679 /nfs/dbraw/zinc/51/06/79/1040510679.db2.gz RONYPJVAKHUEBH-UHFFFAOYSA-N 0 3 386.923 4.000 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c([O-])c1 ZINC001235680029 1041143877 /nfs/dbraw/zinc/14/38/77/1041143877.db2.gz SADMGFZBHYANJR-CVDCTZTESA-N 0 3 382.504 3.897 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c([O-])c1 ZINC001235680029 1041143896 /nfs/dbraw/zinc/14/38/96/1041143896.db2.gz SADMGFZBHYANJR-CVDCTZTESA-N 0 3 382.504 3.897 20 10 GHCDHN Cc1cc(F)cc(CN2CCN[C@H](c3cccc(Br)c3)C2)c1O ZINC001235793824 1041289086 /nfs/dbraw/zinc/28/90/86/1041289086.db2.gz CSNWBBUZDNFOPR-KRWDZBQOSA-N 0 3 379.273 3.749 20 10 GHCDHN CN1CCN(c2ccc(-c3nccc4c3ccn4Cc3ccccc3)cn2)CC1 ZINC001235967752 1041470709 /nfs/dbraw/zinc/47/07/09/1041470709.db2.gz PKXQLZITELOORB-UHFFFAOYSA-N 0 3 383.499 3.898 20 10 GHCDHN COc1cc([O-])c(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001236356126 1041680628 /nfs/dbraw/zinc/68/06/28/1041680628.db2.gz NKBBXSGZEOMWBK-INIZCTEOSA-N 0 3 378.875 3.948 20 10 GHCDHN CCOc1ccc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001256297947 1041691029 /nfs/dbraw/zinc/69/10/29/1041691029.db2.gz UHRPICXGOSNMIN-UHFFFAOYSA-N 0 3 389.540 3.607 20 10 GHCDHN COc1ccc(CN(Cc2cc(Cl)cc(F)c2[O-])C2CC[NH2+]CC2)cc1 ZINC001236448026 1041716981 /nfs/dbraw/zinc/71/69/81/1041716981.db2.gz WAGCKKWCOLTVLT-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c([O-])c1 ZINC001236786470 1041891494 /nfs/dbraw/zinc/89/14/94/1041891494.db2.gz DPQRBAURKDRIEI-NRFANRHFSA-N 0 3 378.516 3.935 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)c([O-])c1 ZINC001236811149 1041911519 /nfs/dbraw/zinc/91/15/19/1041911519.db2.gz MCOOIXXEFBVBNF-UHFFFAOYSA-N 0 3 394.515 3.918 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c([O-])c1 ZINC001236811882 1041911598 /nfs/dbraw/zinc/91/15/98/1041911598.db2.gz VMHQNCSOUSWWAY-FQEVSTJZSA-N 0 3 394.515 3.690 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2C1 ZINC001236832849 1041922207 /nfs/dbraw/zinc/92/22/07/1041922207.db2.gz RMPQNFRZQUZJPG-BGYRXZFFSA-N 0 3 378.497 3.811 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2C1 ZINC001236832849 1041922209 /nfs/dbraw/zinc/92/22/09/1041922209.db2.gz RMPQNFRZQUZJPG-BGYRXZFFSA-N 0 3 378.497 3.811 20 10 GHCDHN COc1ccc2c(c1)CN(Cc1ccc(N3CCN(C)CC3)cc1F)CCC2 ZINC001236944752 1041966016 /nfs/dbraw/zinc/96/60/16/1041966016.db2.gz FCSAVFBYXRVAMG-UHFFFAOYSA-N 0 3 383.511 3.535 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c([O-])c1 ZINC001237049670 1042009722 /nfs/dbraw/zinc/00/97/22/1042009722.db2.gz ZZRJJQYGKZXZLT-UHFFFAOYSA-N 0 3 381.520 3.782 20 10 GHCDHN COc1cc(O)c(CN2CCN(C)[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001237058366 1042013936 /nfs/dbraw/zinc/01/39/36/1042013936.db2.gz DDPIRRYYBQEYLW-GOSISDBHSA-N 0 3 391.309 3.652 20 10 GHCDHN CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064052 1042017294 /nfs/dbraw/zinc/01/72/94/1042017294.db2.gz XHMUWBWGFPOZTE-ZDUSSCGKSA-N 0 3 389.414 3.887 20 10 GHCDHN CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064052 1042017300 /nfs/dbraw/zinc/01/73/00/1042017300.db2.gz XHMUWBWGFPOZTE-ZDUSSCGKSA-N 0 3 389.414 3.887 20 10 GHCDHN COc1cc([O-])c(CN2CCC([NH+]3CCCCC3)CC2)c(Br)c1 ZINC001237063545 1042017320 /nfs/dbraw/zinc/01/73/20/1042017320.db2.gz TWNNYPRUHCIDFX-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237112528 1042044303 /nfs/dbraw/zinc/04/43/03/1042044303.db2.gz JMUYWJBLQPMMLJ-IBGZPJMESA-N 0 3 398.425 3.515 20 10 GHCDHN O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237112528 1042044308 /nfs/dbraw/zinc/04/43/08/1042044308.db2.gz JMUYWJBLQPMMLJ-IBGZPJMESA-N 0 3 398.425 3.515 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001237137141 1042059815 /nfs/dbraw/zinc/05/98/15/1042059815.db2.gz LUGLJGIPGHWZDV-KRWDZBQOSA-N 0 3 385.426 3.961 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cccc4nccc(C)c34)CC2)cc1 ZINC001237638516 1042298901 /nfs/dbraw/zinc/29/89/01/1042298901.db2.gz XNIMJZNGSVDRSY-UHFFFAOYSA-N 0 3 391.515 3.891 20 10 GHCDHN COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237690463 1042328576 /nfs/dbraw/zinc/32/85/76/1042328576.db2.gz XZGPMCIDIXVADT-UHFFFAOYSA-N 0 3 388.895 3.757 20 10 GHCDHN COc1ccccc1C(=O)NC1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237690463 1042328579 /nfs/dbraw/zinc/32/85/79/1042328579.db2.gz XZGPMCIDIXVADT-UHFFFAOYSA-N 0 3 388.895 3.757 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC(C3CN(C(=O)OC(C)(C)C)C3)CC2)c1[O-] ZINC001238060338 1042478672 /nfs/dbraw/zinc/47/86/72/1042478672.db2.gz HUOQMQIKECGCJM-UHFFFAOYSA-N 0 3 378.488 3.919 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCN(C)Cc2ccccc2)c1 ZINC001292059900 1043579239 /nfs/dbraw/zinc/57/92/39/1043579239.db2.gz YWLPGBYLCWQTFP-UHFFFAOYSA-N 0 3 389.499 3.768 20 10 GHCDHN Cc1ccc(O)c(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC001301046522 1046307520 /nfs/dbraw/zinc/30/75/20/1046307520.db2.gz DVCIYTRDEVXFIT-FQEVSTJZSA-N 0 3 392.421 3.771 20 10 GHCDHN [O-]c1cc(O)c(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)cc1Cl ZINC001279572287 1047841706 /nfs/dbraw/zinc/84/17/06/1047841706.db2.gz GZEOXOZKPQGGHK-UHFFFAOYSA-N 0 3 378.822 3.601 20 10 GHCDHN [O-]c1cc(O)c(CN2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)cc1Cl ZINC001279572287 1047841721 /nfs/dbraw/zinc/84/17/21/1047841721.db2.gz GZEOXOZKPQGGHK-UHFFFAOYSA-N 0 3 378.822 3.601 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)N(C)C)cc1 ZINC001289599846 1049556489 /nfs/dbraw/zinc/55/64/89/1049556489.db2.gz JPXROAWOPOFPOR-QFIPXVFZSA-N 0 3 378.520 3.586 20 10 GHCDHN C/C=C/COc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001289601789 1049557047 /nfs/dbraw/zinc/55/70/47/1049557047.db2.gz DOAIVFCLKROTPF-YQTDCCHMSA-N 0 3 395.547 3.669 20 10 GHCDHN CCOc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000755046989 1050248785 /nfs/dbraw/zinc/24/87/85/1050248785.db2.gz DCOQTKZGPYEETI-INIZCTEOSA-N 0 3 385.464 3.681 20 10 GHCDHN CC(C)c1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001311683326 1052327859 /nfs/dbraw/zinc/32/78/59/1052327859.db2.gz LBBFAPZEHCNFTI-QFIPXVFZSA-N 0 3 382.552 3.978 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001312658514 1052828414 /nfs/dbraw/zinc/82/84/14/1052828414.db2.gz FMNGZGBWNKGLEW-YDHSSHFGSA-N 0 3 396.579 3.983 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(C3CC3)cc2F)N(C)C)cc1 ZINC001312818206 1052881422 /nfs/dbraw/zinc/88/14/22/1052881422.db2.gz WNHMLSPLRNXWBN-QFIPXVFZSA-N 0 3 398.526 3.871 20 10 GHCDHN CSc1ccccc1[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001322615429 1056770694 /nfs/dbraw/zinc/77/06/94/1056770694.db2.gz VJQCBFTXRSXSBU-WMZOPIPTSA-N 0 3 383.561 3.961 20 10 GHCDHN COc1ccc2c(c1)c1c(n2CC(=O)N(CCN(C)C)C2CCCC2)CCCC1 ZINC001355277891 1057103766 /nfs/dbraw/zinc/10/37/66/1057103766.db2.gz FIMLJFMNYAMPNK-UHFFFAOYSA-N 0 3 397.563 3.862 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1[O-] ZINC000848519420 1057144752 /nfs/dbraw/zinc/14/47/52/1057144752.db2.gz BSVJFORZNKXAOX-BMIGLBTASA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1[O-] ZINC000848523785 1057148153 /nfs/dbraw/zinc/14/81/53/1057148153.db2.gz MVVJSEZBTGMSIK-XHDPSFHLSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1[O-] ZINC000848523783 1057148401 /nfs/dbraw/zinc/14/84/01/1057148401.db2.gz MVVJSEZBTGMSIK-IAQYHMDHSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1[O-] ZINC000848526073 1057149743 /nfs/dbraw/zinc/14/97/43/1057149743.db2.gz VHVXQMZLSFMRQD-SNVBAGLBSA-N 0 3 393.272 3.543 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1[O-] ZINC000848527210 1057150077 /nfs/dbraw/zinc/15/00/77/1057150077.db2.gz VDLDRPPWVUBDLZ-BMIGLBTASA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000848528102 1057150935 /nfs/dbraw/zinc/15/09/35/1057150935.db2.gz KNNPVYYHBULWCL-MGPLVRAMSA-N 0 3 386.311 3.783 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1[O-] ZINC000848547633 1057170079 /nfs/dbraw/zinc/17/00/79/1057170079.db2.gz RBODAHVXORPUOX-PRHODGIISA-N 0 3 386.208 3.781 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1[O-] ZINC000848549074 1057170544 /nfs/dbraw/zinc/17/05/44/1057170544.db2.gz KHWUAIGAXZJTCA-XJKSGUPXSA-N 0 3 394.309 3.808 20 10 GHCDHN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC001442473541 1058966944 /nfs/dbraw/zinc/96/69/44/1058966944.db2.gz MQFVMEBLDFRGEM-GOSISDBHSA-N 0 3 397.538 3.851 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)N(C)C)cc1 ZINC001477650587 1078507793 /nfs/dbraw/zinc/50/77/93/1078507793.db2.gz NDLFRVKKLNQRRO-AUSIDOKSSA-N 0 3 396.579 3.903 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)N(C)C)cc1 ZINC001477650589 1078507953 /nfs/dbraw/zinc/50/79/53/1078507953.db2.gz NDLFRVKKLNQRRO-WMZHIEFXSA-N 0 3 396.579 3.903 20 10 GHCDHN Cc1ccc([C@H](CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)N(C)C)cc1 ZINC001477650588 1078508099 /nfs/dbraw/zinc/50/80/99/1078508099.db2.gz NDLFRVKKLNQRRO-CVDCTZTESA-N 0 3 396.579 3.903 20 10 GHCDHN C[C@H](CCCC(F)(F)F)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001470077418 1068558810 /nfs/dbraw/zinc/55/88/10/1068558810.db2.gz FGZCDTIZZRIKMR-RHSMWYFYSA-N 0 3 388.478 3.776 20 10 GHCDHN CCN(Cc1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471542355 1073123479 /nfs/dbraw/zinc/12/34/79/1073123479.db2.gz AFAZTQPIPXUUGY-OAQYLSRUSA-N 0 3 386.515 3.726 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CCOc4c(Cl)cccc43)cc2F)CC1 ZINC001473958528 1074218419 /nfs/dbraw/zinc/21/84/19/1074218419.db2.gz FEEGDMXHDYCUAU-IBGZPJMESA-N 0 3 389.902 3.844 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC001473963181 1074219880 /nfs/dbraw/zinc/21/98/80/1074219880.db2.gz MMXFNIIEDRMQRD-HXUWFJFHSA-N 0 3 391.515 3.685 20 10 GHCDHN O=C([C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC001473971923 1074221841 /nfs/dbraw/zinc/22/18/41/1074221841.db2.gz NIPOXDXOFYNNHH-HSZRJFAPSA-N 0 3 377.532 3.610 20 10 GHCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCCO3)CN1c1cccc(C(F)(F)F)c1 ZINC001474034490 1074242851 /nfs/dbraw/zinc/24/28/51/1074242851.db2.gz WPVNUKXKQVKYGQ-QGZVFWFLSA-N 0 3 390.405 3.926 20 10 GHCDHN O=[N+]([O-])c1cc(CNCc2cccc3c2CCOC3)ccc1N1CCCCC1 ZINC001474224178 1074299363 /nfs/dbraw/zinc/29/93/63/1074299363.db2.gz JTKCNEXOZUUDHV-UHFFFAOYSA-N 0 3 381.476 3.948 20 10 GHCDHN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC001474404049 1074389125 /nfs/dbraw/zinc/38/91/25/1074389125.db2.gz XEKIZLPFOHGJLV-GOSISDBHSA-N 0 3 386.492 3.695 20 10 GHCDHN CCOC(=O)c1[nH]c(C)c(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1C ZINC001474404049 1074389131 /nfs/dbraw/zinc/38/91/31/1074389131.db2.gz XEKIZLPFOHGJLV-GOSISDBHSA-N 0 3 386.492 3.695 20 10 GHCDHN CCOC(=O)c1[nH]c(C)c(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1C ZINC001474404049 1074389134 /nfs/dbraw/zinc/38/91/34/1074389134.db2.gz XEKIZLPFOHGJLV-GOSISDBHSA-N 0 3 386.492 3.695 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001474447183 1074410039 /nfs/dbraw/zinc/41/00/39/1074410039.db2.gz JWZJNNPUMHTHKU-OAHLLOKOSA-N 0 3 399.329 3.952 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)OCc2cccc(Cl)c2)N(C)C)cc1 ZINC001475766572 1075016950 /nfs/dbraw/zinc/01/69/50/1075016950.db2.gz UGJBIGZSUCABJY-IBGZPJMESA-N 0 3 375.900 3.935 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274860894 835701914 /nfs/dbraw/zinc/70/19/14/835701914.db2.gz ZQSGUVJRENNVTF-UHFFFAOYSA-N 0 3 375.472 3.581 20 10 GHCDHN Oc1ccc(-c2ccccc2)cc1CNCc1cccc(N2CCOCC2)n1 ZINC000274860894 835701918 /nfs/dbraw/zinc/70/19/18/835701918.db2.gz ZQSGUVJRENNVTF-UHFFFAOYSA-N 0 3 375.472 3.581 20 10 GHCDHN COc1cc(Cl)cc(CN[C@@H](CO)c2ccc(Br)cc2)c1O ZINC000273689864 847409032 /nfs/dbraw/zinc/40/90/32/847409032.db2.gz BFQHWZFIOZQOEY-AWEZNQCLSA-N 0 3 386.673 3.640 20 10 GHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000760031582 854180518 /nfs/dbraw/zinc/18/05/18/854180518.db2.gz DLKFDVPEWCZVRT-OCCSQVGLSA-N 0 3 382.273 3.796 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000765895622 855925464 /nfs/dbraw/zinc/92/54/64/855925464.db2.gz XBGKENCGUWHLSE-NQIIRXRSSA-N 0 3 381.520 3.834 20 10 GHCDHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)ccc1Br ZINC000766088367 856962809 /nfs/dbraw/zinc/96/28/09/856962809.db2.gz OKCCHFYTSILGFL-QGZVFWFLSA-N 0 3 389.293 3.748 20 10 GHCDHN COc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000733334912 862877159 /nfs/dbraw/zinc/87/71/59/862877159.db2.gz UKWKNNPLYORCAW-SFHVURJKSA-N 0 3 390.911 3.817 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)c1[O-] ZINC000761196219 859082276 /nfs/dbraw/zinc/08/22/76/859082276.db2.gz YTESHFVILVIKPV-UHFFFAOYSA-N 0 3 377.868 3.672 20 10 GHCDHN COc1cc(N2CCN(Cc3ccccc3C3CC3)CC2)cc(OC)c1OC ZINC000761220005 859428240 /nfs/dbraw/zinc/42/82/40/859428240.db2.gz RSBNZXDTPLACKO-UHFFFAOYSA-N 0 3 382.504 3.912 20 10 GHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000765245149 859863686 /nfs/dbraw/zinc/86/36/86/859863686.db2.gz OHKUMHLQNKASPH-PBHICJAKSA-N 0 3 386.565 3.566 20 10 GHCDHN CCc1noc(C[C@]2(O)CCCN(Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000856679520 881652885 /nfs/dbraw/zinc/65/28/85/881652885.db2.gz QJAPMLCYYGAEOY-HSZRJFAPSA-N 0 3 398.551 3.500 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000734004871 863914493 /nfs/dbraw/zinc/91/44/93/863914493.db2.gz IBWSEKKWQBOFNT-MRXNPFEDSA-N 0 3 380.410 3.784 20 10 GHCDHN COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000735675988 864921264 /nfs/dbraw/zinc/92/12/64/864921264.db2.gz CKXSHASNZHUTPR-HSZRJFAPSA-N 0 3 379.456 3.900 20 10 GHCDHN C[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000793224522 882022132 /nfs/dbraw/zinc/02/21/32/882022132.db2.gz ZOMWSWDVEOVGNQ-HNNXBMFYSA-N 0 3 392.500 3.588 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000742391692 867257635 /nfs/dbraw/zinc/25/76/35/867257635.db2.gz LMXYPWOFJLUYDX-OEMFJLHTSA-N 0 3 389.543 3.924 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)c(C)n1-c1ccc(Br)cc1 ZINC000920476045 882143999 /nfs/dbraw/zinc/14/39/99/882143999.db2.gz IGFHHNYBNLIXOM-KRWDZBQOSA-N 0 3 390.325 3.681 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)c([O-])c1 ZINC000793387318 882162489 /nfs/dbraw/zinc/16/24/89/882162489.db2.gz CXSLHRPIIVHGCI-GFCCVEGCSA-N 0 3 393.281 3.670 20 10 GHCDHN C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCCC1 ZINC000743735072 868399233 /nfs/dbraw/zinc/39/92/33/868399233.db2.gz CPUOJADIWRYKGJ-IAGOWNOFSA-N 0 3 395.494 3.638 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CCC3(CC2)OCCc2ccsc23)c1O ZINC001192547745 870464683 /nfs/dbraw/zinc/46/46/83/870464683.db2.gz UUMOMRKCNAVXFN-UHFFFAOYSA-N 0 3 375.465 3.859 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000920866786 882426089 /nfs/dbraw/zinc/42/60/89/882426089.db2.gz JHOICYQQNWKXHA-FHRFECMSSA-N 0 3 387.568 3.503 20 10 GHCDHN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000920867882 882427571 /nfs/dbraw/zinc/42/75/71/882427571.db2.gz WKXMGXFMNNWCCL-QRVBRYPASA-N 0 3 393.531 3.540 20 10 GHCDHN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(N2CCCC2)c1 ZINC000181853959 871541591 /nfs/dbraw/zinc/54/15/91/871541591.db2.gz AGKMLSTWNKATGW-LJQANCHMSA-N 0 3 394.563 3.662 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000182414583 872334474 /nfs/dbraw/zinc/33/44/74/872334474.db2.gz DOZRYQJOPNECIC-STQMWFEESA-N 0 3 378.419 3.549 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc([C@H]4CCOC4)c3)c2)CC1 ZINC000767382741 872482193 /nfs/dbraw/zinc/48/21/93/872482193.db2.gz GVHVQODEOMAPCC-NRFANRHFSA-N 0 3 393.531 3.973 20 10 GHCDHN COc1ccc(CN2CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2=O)cc1 ZINC000767520780 872590489 /nfs/dbraw/zinc/59/04/89/872590489.db2.gz HITBFDWDVCRFRQ-UHFFFAOYSA-N 0 3 390.483 3.789 20 10 GHCDHN COc1ccc(CN2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2=O)cc1 ZINC000767520780 872590497 /nfs/dbraw/zinc/59/04/97/872590497.db2.gz HITBFDWDVCRFRQ-UHFFFAOYSA-N 0 3 390.483 3.789 20 10 GHCDHN CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000768013812 873025682 /nfs/dbraw/zinc/02/56/82/873025682.db2.gz WTEHZUBOJJJQIV-UHFFFAOYSA-N 0 3 399.560 3.582 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)CC1 ZINC000775708609 873039198 /nfs/dbraw/zinc/03/91/98/873039198.db2.gz DBIWBCOJOIJYPM-UHFFFAOYSA-N 0 3 395.391 3.755 20 10 GHCDHN Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768439463 873303244 /nfs/dbraw/zinc/30/32/44/873303244.db2.gz HZFGPXIHMWSTAY-NRFANRHFSA-N 0 3 378.472 3.987 20 10 GHCDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000691450258 873313005 /nfs/dbraw/zinc/31/30/05/873313005.db2.gz KKLMXZATUMZJNB-INIZCTEOSA-N 0 3 375.310 3.766 20 10 GHCDHN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Br)cc(OC)c1[O-] ZINC000769499330 874107566 /nfs/dbraw/zinc/10/75/66/874107566.db2.gz SAUHBDPLKOOHFK-KRWDZBQOSA-N 0 3 394.309 3.936 20 10 GHCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(OC)c1[O-] ZINC000769499330 874107570 /nfs/dbraw/zinc/10/75/70/874107570.db2.gz SAUHBDPLKOOHFK-KRWDZBQOSA-N 0 3 394.309 3.936 20 10 GHCDHN Fc1cc(CN2CCC3(CC2)OCc2ccccc23)ccc1N1CCOCC1 ZINC000769509181 874115594 /nfs/dbraw/zinc/11/55/94/874115594.db2.gz IQBAWWSZQZWVTN-UHFFFAOYSA-N 0 3 382.479 3.684 20 10 GHCDHN C[C@@H](NCC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775831072 874272414 /nfs/dbraw/zinc/27/24/14/874272414.db2.gz OQIOHRAGAMNKAK-OAHLLOKOSA-N 0 3 391.462 3.663 20 10 GHCDHN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)n(-c2ccc(C)cc2)n1 ZINC000775832328 874294568 /nfs/dbraw/zinc/29/45/68/874294568.db2.gz YYMCBLKNKUAXFV-SFHVURJKSA-N 0 3 391.519 3.844 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835045 874329739 /nfs/dbraw/zinc/32/97/39/874329739.db2.gz DJGRMWRPNIGROL-QGZVFWFLSA-N 0 3 383.540 3.819 20 10 GHCDHN COc1cc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(OC)cc1Cl ZINC000775837042 874332851 /nfs/dbraw/zinc/33/28/51/874332851.db2.gz QSXKZGRWQMDBOK-CYBMUJFWSA-N 0 3 391.899 3.713 20 10 GHCDHN O[C@H](C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000770291852 874580663 /nfs/dbraw/zinc/58/06/63/874580663.db2.gz NDTHWUQEJQKLLX-FXAWDEMLSA-N 0 3 390.524 3.812 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)CCOCc2ccccc2)c1[O-] ZINC000770306763 874588591 /nfs/dbraw/zinc/58/85/91/874588591.db2.gz PYJZZNFWWKBIKU-UHFFFAOYSA-N 0 3 380.282 3.812 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)CCOCc2ccccc2)c1[O-] ZINC000770306763 874588596 /nfs/dbraw/zinc/58/85/96/874588596.db2.gz PYJZZNFWWKBIKU-UHFFFAOYSA-N 0 3 380.282 3.812 20 10 GHCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013675 875130918 /nfs/dbraw/zinc/13/09/18/875130918.db2.gz NAPLIMHSUMALIR-PZJWPPBQSA-N 0 3 399.487 3.514 20 10 GHCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000776013675 875130927 /nfs/dbraw/zinc/13/09/27/875130927.db2.gz NAPLIMHSUMALIR-PZJWPPBQSA-N 0 3 399.487 3.514 20 10 GHCDHN C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170009 875688728 /nfs/dbraw/zinc/68/87/28/875688728.db2.gz HTERIQLBHHKYIT-SJLPKXTDSA-N 0 3 394.943 3.903 20 10 GHCDHN C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000776245506 876027602 /nfs/dbraw/zinc/02/76/02/876027602.db2.gz HKIUKIPMEFRZOT-PGRDOPGGSA-N 0 3 380.536 3.730 20 10 GHCDHN Cc1cc(CNCc2cnc(N3CCOCC3)s2)c(C)n1-c1cccc(C)c1 ZINC000785587554 876113922 /nfs/dbraw/zinc/11/39/22/876113922.db2.gz MYPUWZIWACJPLB-UHFFFAOYSA-N 0 3 396.560 3.985 20 10 GHCDHN Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850137123 876692025 /nfs/dbraw/zinc/69/20/25/876692025.db2.gz JEUUZZNPUGBDLR-SFHVURJKSA-N 0 3 388.943 3.801 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CNCC2(S(=O)(=O)CC)CC2)cc1 ZINC000850397087 876878605 /nfs/dbraw/zinc/87/86/05/876878605.db2.gz DTQLUSXVTSBUJX-UHFFFAOYSA-N 0 3 386.561 3.770 20 10 GHCDHN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000850484821 876958247 /nfs/dbraw/zinc/95/82/47/876958247.db2.gz QVLKFJRXPIOVAO-ZDUSSCGKSA-N 0 3 391.309 3.950 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1[O-] ZINC000850501420 876976245 /nfs/dbraw/zinc/97/62/45/876976245.db2.gz BVTLVLGGPGBRLM-UIUJZNGJSA-N 0 3 390.343 3.504 20 10 GHCDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787995658 877763983 /nfs/dbraw/zinc/76/39/83/877763983.db2.gz PBQZAQVZGOPXEF-OALUTQOASA-N 0 3 379.464 3.545 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cn(C)nc3-c3cccs3)CC2)cc1 ZINC000179826373 878066509 /nfs/dbraw/zinc/06/65/09/878066509.db2.gz PJJYWOUULPUJAO-UHFFFAOYSA-N 0 3 382.533 3.870 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000772797905 881186334 /nfs/dbraw/zinc/18/63/34/881186334.db2.gz JVDHGWPESIRYFI-KRWDZBQOSA-N 0 3 383.492 3.958 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000772797905 881186337 /nfs/dbraw/zinc/18/63/37/881186337.db2.gz JVDHGWPESIRYFI-KRWDZBQOSA-N 0 3 383.492 3.958 20 10 GHCDHN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(C)cc1[O-] ZINC000806170706 884393056 /nfs/dbraw/zinc/39/30/56/884393056.db2.gz ZXEXPOHDGHGGAO-UXHICEINSA-N 0 3 398.503 3.560 20 10 GHCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000806433722 884672352 /nfs/dbraw/zinc/67/23/52/884672352.db2.gz ZJJPNKAAEZTDQN-AUSIDOKSSA-N 0 3 392.547 3.749 20 10 GHCDHN C[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](c1ccccc1)N(C)C ZINC000806959604 885115672 /nfs/dbraw/zinc/11/56/72/885115672.db2.gz YQSIGIJMERXIME-ZBFHGGJFSA-N 0 3 378.567 3.616 20 10 GHCDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC000807622656 885579623 /nfs/dbraw/zinc/57/96/23/885579623.db2.gz ULXSZAUEBVEKSW-GCJKJVERSA-N 0 3 380.536 3.557 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1[O-] ZINC000808676840 886677101 /nfs/dbraw/zinc/67/71/01/886677101.db2.gz LZVYBEAWLJRQKZ-GJZGRUSLSA-N 0 3 375.900 3.825 20 10 GHCDHN CCOc1cccc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1O ZINC000809686534 887704049 /nfs/dbraw/zinc/70/40/49/887704049.db2.gz CVEJRSJTEVFLAK-NRFANRHFSA-N 0 3 396.531 3.894 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@]2(CCCOC2)O1 ZINC000796036455 913194025 /nfs/dbraw/zinc/19/40/25/913194025.db2.gz MXYSRDBIAZPPDB-WZONZLPQSA-N 0 3 383.488 3.741 20 10 GHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794802799 888097850 /nfs/dbraw/zinc/09/78/50/888097850.db2.gz OUPOGCBVVXATAX-FUHWJXTLSA-N 0 3 377.868 3.900 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219882 888296084 /nfs/dbraw/zinc/29/60/84/888296084.db2.gz XGSBGYOIEMLGPB-KSSFIOAISA-N 0 3 386.458 3.953 20 10 GHCDHN COc1ccc(CN[C@H](C)c2cc(Br)cc(C)c2O)c(OC)n1 ZINC000810259111 888322573 /nfs/dbraw/zinc/32/25/73/888322573.db2.gz BOYZDJRHPSZKAX-LLVKDONJSA-N 0 3 381.270 3.726 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3ccc(C(F)F)nc3)cc2F)CC1 ZINC000865456584 888362984 /nfs/dbraw/zinc/36/29/84/888362984.db2.gz LLDHKCAYRVJXQA-UHFFFAOYSA-N 0 3 378.442 3.590 20 10 GHCDHN CC(C)(C)OC(=O)Nc1cnc(CNCCCSc2nccs2)cn1 ZINC000865468870 888370125 /nfs/dbraw/zinc/37/01/25/888370125.db2.gz MAIMOAVEZDIOED-UHFFFAOYSA-N 0 3 381.527 3.552 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435746 888876115 /nfs/dbraw/zinc/87/61/15/888876115.db2.gz FKYDIYDINCJVNM-BXKDBHETSA-N 0 3 393.207 3.509 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000916607884 889177505 /nfs/dbraw/zinc/17/75/05/889177505.db2.gz ZUMZQJRZKOOXAN-NRFANRHFSA-N 0 3 380.536 3.559 20 10 GHCDHN C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000287499822 913374817 /nfs/dbraw/zinc/37/48/17/913374817.db2.gz YIQOQSPSBATNEM-IAGOWNOFSA-N 0 3 382.504 3.932 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000729687129 890332270 /nfs/dbraw/zinc/33/22/70/890332270.db2.gz UCIIMLMDZAOJHQ-SFHVURJKSA-N 0 3 385.410 3.867 20 10 GHCDHN Fc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)ccc1N1CCOCC1 ZINC000123905131 891101051 /nfs/dbraw/zinc/10/10/51/891101051.db2.gz BFPRDCDIPAXHCL-UHFFFAOYSA-N 0 3 394.494 3.918 20 10 GHCDHN CCOc1cccc(CN2CCN(c3ccc(Br)cc3)CC2)c1O ZINC001203603416 913555787 /nfs/dbraw/zinc/55/57/87/913555787.db2.gz OGXAEOABNBBOFH-UHFFFAOYSA-N 0 3 391.309 3.876 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000918229808 893371969 /nfs/dbraw/zinc/37/19/69/893371969.db2.gz SEGSZAXKECIVPJ-UHFFFAOYSA-N 0 3 394.563 3.950 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877755933 893793646 /nfs/dbraw/zinc/79/36/46/893793646.db2.gz TVUYRLLQBVTYGW-LULLPPNCSA-N 0 3 390.524 3.847 20 10 GHCDHN CCOC(=O)Cn1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c(-c2ccccc2)n1 ZINC000877758204 893795749 /nfs/dbraw/zinc/79/57/49/893795749.db2.gz MUWXQDFHIBAYFA-INIZCTEOSA-N 0 3 379.460 3.670 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(=O)OC)cc1 ZINC000815562229 894000302 /nfs/dbraw/zinc/00/03/02/894000302.db2.gz ZYBDPYWQVRLCNN-FQEVSTJZSA-N 0 3 386.467 3.690 20 10 GHCDHN CN(C)C(=O)OC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000816655566 894997507 /nfs/dbraw/zinc/99/75/07/894997507.db2.gz JPMUMIRCEKYEEA-UHFFFAOYSA-N 0 3 393.531 3.912 20 10 GHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1n1cccn1 ZINC000816672710 895018680 /nfs/dbraw/zinc/01/86/80/895018680.db2.gz IBOJHVPOVCJHMI-MZYLBHOOSA-N 0 3 393.487 3.676 20 10 GHCDHN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000816949840 895208545 /nfs/dbraw/zinc/20/85/45/895208545.db2.gz GKTZUBYLXHDZIV-IERDGZPVSA-N 0 3 377.492 3.944 20 10 GHCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3nnn(-c4ccccc4)c3C)C2)cc1 ZINC000818345510 896126002 /nfs/dbraw/zinc/12/60/02/896126002.db2.gz VRSVRQJKVVHXRG-MJGOQNOKSA-N 0 3 391.519 3.761 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000796294233 914203803 /nfs/dbraw/zinc/20/38/03/914203803.db2.gz NPVTWMIGXCFBGK-SFHVURJKSA-N 0 3 389.499 3.637 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H]3CCCc4nc(C)sc43)cc2F)CC1 ZINC000155300013 898576092 /nfs/dbraw/zinc/57/60/92/898576092.db2.gz NZQADIGEXRSBAW-SFHVURJKSA-N 0 3 388.556 3.900 20 10 GHCDHN Cc1cc(O)c(CNc2ccc(OCCN3CCN(C)CC3)cc2)cc1Cl ZINC000824983090 899929225 /nfs/dbraw/zinc/92/92/25/899929225.db2.gz HSQVCIGELHBYOL-UHFFFAOYSA-N 0 3 389.927 3.592 20 10 GHCDHN Cc1ccc([C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N2CCCC2)cc1 ZINC000303170327 914399191 /nfs/dbraw/zinc/39/91/91/914399191.db2.gz RAUVVZHUWVZFOR-QFIPXVFZSA-N 0 3 398.526 3.836 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1[O-] ZINC000825343688 900109065 /nfs/dbraw/zinc/10/90/65/900109065.db2.gz OYYZRNZWCCQHRR-CQSZACIVSA-N 0 3 386.673 3.640 20 10 GHCDHN CCCCOc1ccccc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325187 900932787 /nfs/dbraw/zinc/93/27/87/900932787.db2.gz YBJGWUOAFLFNFK-UHFFFAOYSA-N 0 3 395.547 3.857 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3cscc3C(F)(F)F)cc2)CC1 ZINC000886325025 900932839 /nfs/dbraw/zinc/93/28/39/900932839.db2.gz QNVZKABZLWPJER-UHFFFAOYSA-N 0 3 397.466 3.758 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3cc4cc(F)ccc4o3)cc2)CC1 ZINC000886325149 900933005 /nfs/dbraw/zinc/93/30/05/900933005.db2.gz WOUMKRAOLIDQSN-UHFFFAOYSA-N 0 3 381.451 3.563 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)s1 ZINC000886747342 901252503 /nfs/dbraw/zinc/25/25/03/901252503.db2.gz RBPCDOJFVPIOEJ-ZDUSSCGKSA-N 0 3 377.941 3.954 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(C)cc1[O-] ZINC000886749621 901254874 /nfs/dbraw/zinc/25/48/74/901254874.db2.gz XTQZWGPAQUXMEW-OAQYLSRUSA-N 0 3 381.520 3.643 20 10 GHCDHN C[C@@H](NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000886764177 901259581 /nfs/dbraw/zinc/25/95/81/901259581.db2.gz MZVFEVNMVOAMLM-KALAIVBUSA-N 0 3 394.943 3.554 20 10 GHCDHN CC(C)C[N@H+](Cc1c([O-])cc(O)cc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144516478 902322269 /nfs/dbraw/zinc/32/22/69/902322269.db2.gz ZSHHNYTUYQYJCD-OAHLLOKOSA-N 0 3 394.512 3.661 20 10 GHCDHN CC(C)C[N@@H+](Cc1c([O-])cc(O)cc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144516478 902322279 /nfs/dbraw/zinc/32/22/79/902322279.db2.gz ZSHHNYTUYQYJCD-OAHLLOKOSA-N 0 3 394.512 3.661 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000779003321 902710403 /nfs/dbraw/zinc/71/04/03/902710403.db2.gz MPGZOVITSRCLLT-IAQYHMDHSA-N 0 3 376.298 3.770 20 10 GHCDHN COc1cccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000846155637 902723910 /nfs/dbraw/zinc/72/39/10/902723910.db2.gz ASWPJLNZWSFCSH-GKCIPKSASA-N 0 3 390.911 3.777 20 10 GHCDHN COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779053579 903565680 /nfs/dbraw/zinc/56/56/80/903565680.db2.gz FWIMFXXIWUAAQP-STQMWFEESA-N 0 3 399.329 3.981 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151038863 904058539 /nfs/dbraw/zinc/05/85/39/904058539.db2.gz DBJBFPSUSCKKIZ-KRWDZBQOSA-N 0 3 384.499 3.508 20 10 GHCDHN COc1cc(O)c(CN[C@@H]2CCOc3c(Br)cccc32)cc1OC ZINC000282772649 904308371 /nfs/dbraw/zinc/30/83/71/904308371.db2.gz PSIUZCBOWVWLHV-CQSZACIVSA-N 0 3 394.265 3.785 20 10 GHCDHN C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773181901 904532682 /nfs/dbraw/zinc/53/26/82/904532682.db2.gz BEXSNADMRWHFNQ-SFHVURJKSA-N 0 3 380.536 3.561 20 10 GHCDHN C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773234484 904600561 /nfs/dbraw/zinc/60/05/61/904600561.db2.gz BHELNWJRMXEVPA-RXVVDRJESA-N 0 3 380.536 3.777 20 10 GHCDHN COCCOc1ccc(N2CCN([C@@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171443150 904682871 /nfs/dbraw/zinc/68/28/71/904682871.db2.gz XVPCKZXTEOXSRI-HXUWFJFHSA-N 0 3 384.495 3.530 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000801550338 921122377 /nfs/dbraw/zinc/12/23/77/921122377.db2.gz VMTYNPIYEZSLMQ-NRFANRHFSA-N 0 3 381.520 3.828 20 10 GHCDHN COc1ccc(N2CCN(CCNCc3cc(Cl)ccc3Cl)CC2)cc1 ZINC001177515317 908611400 /nfs/dbraw/zinc/61/14/00/908611400.db2.gz MZQWLQIEIXTNSP-UHFFFAOYSA-N 0 3 394.346 3.914 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3cc(OC)c(OC)cc3Cl)C2)cc1 ZINC001179128958 909393199 /nfs/dbraw/zinc/39/31/99/909393199.db2.gz JWSBIXGTASUYKA-OAHLLOKOSA-N 0 3 376.884 3.734 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268953419 910081233 /nfs/dbraw/zinc/08/12/33/910081233.db2.gz YFGUYHMSNSKXPM-HOTGVXAUSA-N 0 3 397.494 3.593 20 10 GHCDHN CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000091933555 911344960 /nfs/dbraw/zinc/34/49/60/911344960.db2.gz FEKNLXWIEPARRP-UHFFFAOYSA-N 0 3 387.911 3.962 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c2c1c(F)ccc2[O-] ZINC000774396804 911709267 /nfs/dbraw/zinc/70/92/67/911709267.db2.gz NLIBYIXVVWVCJH-SIVJFFJCSA-N 0 3 383.385 3.938 20 10 GHCDHN COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(Br)cc(C)c3[O-])C2)cc1 ZINC001182853620 912080493 /nfs/dbraw/zinc/08/04/93/912080493.db2.gz BMUOLZXYGTYMTP-MRXNPFEDSA-N 0 3 391.309 3.840 20 10 GHCDHN O=C1NCCc2ccc(CNCc3ccc4c(c3)CCN4Cc3ccccc3)cc21 ZINC000796342704 914896724 /nfs/dbraw/zinc/89/67/24/914896724.db2.gz LVRNTJLMUILYCX-UHFFFAOYSA-N 0 3 397.522 3.825 20 10 GHCDHN CC(C)N(C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775253353 916646240 /nfs/dbraw/zinc/64/62/40/916646240.db2.gz AUPVHKLILULJAN-LJQANCHMSA-N 0 3 381.520 3.615 20 10 GHCDHN C[C@@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258943 916687321 /nfs/dbraw/zinc/68/73/21/916687321.db2.gz CIPPBEQDMLJKFX-RTBURBONSA-N 0 3 393.531 3.542 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1[O-] ZINC000796486003 917714616 /nfs/dbraw/zinc/71/46/16/917714616.db2.gz PEZYXGCJYLKGMJ-PXAZEXFGSA-N 0 3 380.282 3.683 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000796486012 917715000 /nfs/dbraw/zinc/71/50/00/917715000.db2.gz PEZYXGCJYLKGMJ-SJKOYZFVSA-N 0 3 380.282 3.683 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000775457747 918027787 /nfs/dbraw/zinc/02/77/87/918027787.db2.gz KMTCKAILDPWTAH-SFHVURJKSA-N 0 3 395.551 3.777 20 10 GHCDHN CCN1CCN(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2F)CC1 ZINC000113339482 919365985 /nfs/dbraw/zinc/36/59/85/919365985.db2.gz IUZJXAVXULIKCL-UHFFFAOYSA-N 0 3 377.891 3.616 20 10 GHCDHN COc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1F ZINC000800239904 919754812 /nfs/dbraw/zinc/75/48/12/919754812.db2.gz PKDQFMQONAVDGW-KRWDZBQOSA-N 0 3 378.875 3.948 20 10 GHCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccnn1CCN(C)C ZINC000901328025 921017988 /nfs/dbraw/zinc/01/79/88/921017988.db2.gz ANCRUMSBEZPDER-GOSISDBHSA-N 0 3 392.503 3.554 20 10 GHCDHN CN(Cc1ccc(-c2cnn(C)c2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000802637555 922273371 /nfs/dbraw/zinc/27/33/71/922273371.db2.gz RUDIYZJOGFOPBX-UHFFFAOYSA-N 0 3 382.533 3.617 20 10 GHCDHN Cc1ccc([C@@H](CNC(=O)c2csc(Cc3ccc(N)cc3)n2)N(C)C)cc1 ZINC000827814930 926043668 /nfs/dbraw/zinc/04/36/68/926043668.db2.gz KYXYDEWFUBITGM-HXUWFJFHSA-N 0 3 394.544 3.657 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000389780623 926387600 /nfs/dbraw/zinc/38/76/00/926387600.db2.gz DVNOGUDBOUWMOC-MRXNPFEDSA-N 0 3 396.915 3.933 20 10 GHCDHN Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC000753546397 929406682 /nfs/dbraw/zinc/40/66/82/929406682.db2.gz HIVWKAREUNYXBG-HXUWFJFHSA-N 0 3 375.472 3.717 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000753591471 929435904 /nfs/dbraw/zinc/43/59/04/929435904.db2.gz QKIDXZXAFCQKMU-ZYSHUDEJSA-N 0 3 390.524 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([O-])c1 ZINC000753591471 929435907 /nfs/dbraw/zinc/43/59/07/929435907.db2.gz QKIDXZXAFCQKMU-ZYSHUDEJSA-N 0 3 390.524 3.916 20 10 GHCDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000753944202 929606756 /nfs/dbraw/zinc/60/67/56/929606756.db2.gz WXPZMGMQOPHROV-IEBWSBKVSA-N 0 3 396.535 3.683 20 10 GHCDHN CC(=O)Nc1ccc(C)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000780978183 930659412 /nfs/dbraw/zinc/65/94/12/930659412.db2.gz UTOLPJBZNGRWOB-UHFFFAOYSA-N 0 3 394.519 3.736 20 10 GHCDHN CCOc1ccc(O)c(CNCc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000798499466 932674581 /nfs/dbraw/zinc/67/45/81/932674581.db2.gz VIUUMFGSHKHYQR-UHFFFAOYSA-N 0 3 376.884 3.571 20 10 GHCDHN Cc1cc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1N1CCCCC1 ZINC000829952454 935884930 /nfs/dbraw/zinc/88/49/30/935884930.db2.gz LURNQGKQUUBRQD-GOSISDBHSA-N 0 3 397.485 3.876 20 10 GHCDHN Cc1cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1N1CCCCC1 ZINC000829952454 935884935 /nfs/dbraw/zinc/88/49/35/935884935.db2.gz LURNQGKQUUBRQD-GOSISDBHSA-N 0 3 397.485 3.876 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(Cl)c(F)cc3N)c2)CC1 ZINC001138032933 935938806 /nfs/dbraw/zinc/93/88/06/935938806.db2.gz ZALUOPJMEBANFB-UHFFFAOYSA-N 0 3 390.890 3.844 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2nsc3ccccc32)N(C)C)cc1 ZINC001626080390 1014862402 /nfs/dbraw/zinc/86/24/02/1014862402.db2.gz HYOVRNKNPNHSLD-KRWDZBQOSA-N 0 3 383.521 3.787 20 10 GHCDHN CCOC[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2cnn(C)c21 ZINC001204239078 1032683277 /nfs/dbraw/zinc/68/32/77/1032683277.db2.gz ULFMNNZRQOHRTB-IBGZPJMESA-N 0 3 378.520 3.775 20 10 GHCDHN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204281578 1032723396 /nfs/dbraw/zinc/72/33/96/1032723396.db2.gz WUIQFJSQVBLCKB-QMIHWGKISA-N 0 3 381.513 3.691 20 10 GHCDHN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204281578 1032723413 /nfs/dbraw/zinc/72/34/13/1032723413.db2.gz WUIQFJSQVBLCKB-QMIHWGKISA-N 0 3 381.513 3.691 20 10 GHCDHN CC(C)n1cc(Cl)c(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000932496326 1018360294 /nfs/dbraw/zinc/36/02/94/1018360294.db2.gz CZNXBIGQZWETDA-QGZVFWFLSA-N 0 3 392.935 3.608 20 10 GHCDHN CCc1ccc(CN2CCC[C@@]3(C2)COCCN(c2ccc(OC)cc2)C3)o1 ZINC001204391947 1032819865 /nfs/dbraw/zinc/81/98/65/1032819865.db2.gz VVNLQHUKAUQWLI-QHCPKHFHSA-N 0 3 384.520 3.970 20 10 GHCDHN O=C1CC2(CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)c2ccccc21 ZINC001140287343 1021320243 /nfs/dbraw/zinc/32/02/43/1021320243.db2.gz PLUCYVBHYKOSSX-UHFFFAOYSA-N 0 3 390.527 3.768 20 10 GHCDHN Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCc4cccc([O-])c43)nc12 ZINC000834764921 1021453312 /nfs/dbraw/zinc/45/33/12/1021453312.db2.gz JBMPBVCGVMWNKC-MRXNPFEDSA-N 0 3 386.293 3.930 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140467171 1021764238 /nfs/dbraw/zinc/76/42/38/1021764238.db2.gz NXJWDWVJVWVNES-SFHVURJKSA-N 0 3 390.911 3.894 20 10 GHCDHN Fc1ccc(N2CCCN(Cc3ccc(N4CCOCC4)cc3F)CC2)cc1 ZINC001140667212 1022218210 /nfs/dbraw/zinc/21/82/10/1022218210.db2.gz LDGZMCIHTIOOQB-UHFFFAOYSA-N 0 3 387.474 3.514 20 10 GHCDHN Cc1c(O)ccc(CN2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)c1O ZINC001140747693 1022421495 /nfs/dbraw/zinc/42/14/95/1022421495.db2.gz IZCNXJOHCFKYMP-UHFFFAOYSA-N 0 3 398.503 3.684 20 10 GHCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754835665 1022922870 /nfs/dbraw/zinc/92/28/70/1022922870.db2.gz SHINHMGOVAOXON-AZUAARDMSA-N 0 3 375.875 3.607 20 10 GHCDHN COc1cc(CN2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)cc(OC)c1 ZINC001204802514 1033096361 /nfs/dbraw/zinc/09/63/61/1033096361.db2.gz BUCUTFRWLBDJOD-UHFFFAOYSA-N 0 3 392.499 3.880 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)c2ccc(C)cc21 ZINC001140950279 1022972582 /nfs/dbraw/zinc/97/25/82/1022972582.db2.gz PNDWKHGFABXYMU-OAQYLSRUSA-N 0 3 393.531 3.917 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@H+](Cc1ccc(C)cc1[O-])CC2 ZINC001140952334 1022980587 /nfs/dbraw/zinc/98/05/87/1022980587.db2.gz NSDIRMQJLNBGDD-UHFFFAOYSA-N 0 3 392.455 3.743 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@@H+](Cc1ccc(C)cc1[O-])CC2 ZINC001140952334 1022980593 /nfs/dbraw/zinc/98/05/93/1022980593.db2.gz NSDIRMQJLNBGDD-UHFFFAOYSA-N 0 3 392.455 3.743 20 10 GHCDHN Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140952412 1022981703 /nfs/dbraw/zinc/98/17/03/1022981703.db2.gz QVJRMVWQVJRDTP-IAGOWNOFSA-N 0 3 378.488 3.775 20 10 GHCDHN Cc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140952412 1022981707 /nfs/dbraw/zinc/98/17/07/1022981707.db2.gz QVJRMVWQVJRDTP-IAGOWNOFSA-N 0 3 378.488 3.775 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cnccc4C)C3)C2)cc1 ZINC001141033383 1023314823 /nfs/dbraw/zinc/31/48/23/1023314823.db2.gz MIOUXZXFOGRCFF-QHCPKHFHSA-N 0 3 381.520 3.518 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCN2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075702 1023436705 /nfs/dbraw/zinc/43/67/05/1023436705.db2.gz XJWZGCQVLQUTJQ-LEWJYISDSA-N 0 3 397.563 3.969 20 10 GHCDHN O=c1[nH]c2ccccc2n1CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000756335785 1023594531 /nfs/dbraw/zinc/59/45/31/1023594531.db2.gz JLQRWTXGFHMDCA-GOSISDBHSA-N 0 3 381.476 3.519 20 10 GHCDHN O=c1[nH]c2ccccc2n1CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000756335785 1023594538 /nfs/dbraw/zinc/59/45/38/1023594538.db2.gz JLQRWTXGFHMDCA-GOSISDBHSA-N 0 3 381.476 3.519 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756340538 1023596887 /nfs/dbraw/zinc/59/68/87/1023596887.db2.gz FUDLXFYRYQDXSM-PVAVHDDUSA-N 0 3 389.540 3.719 20 10 GHCDHN COCCN(CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)OC(C)(C)C ZINC000756780838 1023813362 /nfs/dbraw/zinc/81/33/62/1023813362.db2.gz WBMVLTULHQVURH-ZFWWWQNUSA-N 0 3 382.476 3.553 20 10 GHCDHN CC[NH+]1CCN(c2ccc(N[C@H](C)c3cc(C(=O)OC)ccc3[O-])c(C)c2)CC1 ZINC000756792963 1023817635 /nfs/dbraw/zinc/81/76/35/1023817635.db2.gz RVFUMWSLKKSJGR-QGZVFWFLSA-N 0 3 397.519 3.802 20 10 GHCDHN O=C1OC2(CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c2cnccc21 ZINC001138220847 1024394539 /nfs/dbraw/zinc/39/45/39/1024394539.db2.gz PXNRYQRSSQXYDQ-UHFFFAOYSA-N 0 3 377.488 3.734 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCOC4)c2)CC1 ZINC000831531588 1024623198 /nfs/dbraw/zinc/62/31/98/1024623198.db2.gz ZCESXICFSFTMON-UHFFFAOYSA-N 0 3 379.504 3.542 20 10 GHCDHN CN1CCCc2cc(CN3CCC4(CC3)C(=O)N[C@@H]4c3ccccc3)ccc21 ZINC001138357058 1024720420 /nfs/dbraw/zinc/72/04/20/1024720420.db2.gz BTUSCNWWYCCFLF-JOCHJYFZSA-N 0 3 375.516 3.522 20 10 GHCDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(N(CC)CC)cc1OC)C2 ZINC001138388575 1024763085 /nfs/dbraw/zinc/76/30/85/1024763085.db2.gz ZCINABNAOGDYJS-RBBKRZOGSA-N 0 3 376.541 3.701 20 10 GHCDHN CC(C)(C)OC(=O)CC[NH+](CCC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC001140059974 1026839824 /nfs/dbraw/zinc/83/98/24/1026839824.db2.gz DUXWDVWQYAJWER-UHFFFAOYSA-N 0 3 397.487 3.797 20 10 GHCDHN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140062648 1026842346 /nfs/dbraw/zinc/84/23/46/1026842346.db2.gz CPTASXCIGBRPPA-KDOFPFPSSA-N 0 3 381.426 3.843 20 10 GHCDHN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140062648 1026842353 /nfs/dbraw/zinc/84/23/53/1026842353.db2.gz CPTASXCIGBRPPA-KDOFPFPSSA-N 0 3 381.426 3.843 20 10 GHCDHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556900 1027432806 /nfs/dbraw/zinc/43/28/06/1027432806.db2.gz WUEQTBLAXRJIOA-JOCHJYFZSA-N 0 3 376.500 3.968 20 10 GHCDHN CCOc1cccc(CN2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203603043 1027466657 /nfs/dbraw/zinc/46/66/57/1027466657.db2.gz HFOZYXJVOKGXAE-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001203622859 1027485920 /nfs/dbraw/zinc/48/59/20/1027485920.db2.gz DCAMPTDLPZXIAG-QHCPKHFHSA-N 0 3 398.478 3.555 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001203622859 1027485926 /nfs/dbraw/zinc/48/59/26/1027485926.db2.gz DCAMPTDLPZXIAG-QHCPKHFHSA-N 0 3 398.478 3.555 20 10 GHCDHN Cc1cccnc1N1CCC[N@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC001203642823 1027500380 /nfs/dbraw/zinc/50/03/80/1027500380.db2.gz NTENGPLRTXAEMP-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN Cc1cccnc1N1CCC[N@@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC001203642823 1027500395 /nfs/dbraw/zinc/50/03/95/1027500395.db2.gz NTENGPLRTXAEMP-UHFFFAOYSA-N 0 3 376.298 3.570 20 10 GHCDHN COc1ccc2c(c1)[C@@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840761663 1027801066 /nfs/dbraw/zinc/80/10/66/1027801066.db2.gz ZQKFXUUXKOXACM-NRFANRHFSA-N 0 3 388.458 3.977 20 10 GHCDHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000840888881 1027926042 /nfs/dbraw/zinc/92/60/42/1027926042.db2.gz INWYYUIVURDXJX-QULHZPMSSA-N 0 3 392.547 3.983 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(C(=O)NCc2ccco2)c1 ZINC000840930877 1027963660 /nfs/dbraw/zinc/96/36/60/1027963660.db2.gz PEPVTFXSHJYDFF-UHFFFAOYSA-N 0 3 377.488 3.874 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000840959288 1027992028 /nfs/dbraw/zinc/99/20/28/1027992028.db2.gz QLGXZQDBNBFUFJ-AZUAARDMSA-N 0 3 390.524 3.677 20 10 GHCDHN CCc1ccc([O-])c(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC001142197861 1028343447 /nfs/dbraw/zinc/34/34/47/1028343447.db2.gz YANMCZJJGVOLNL-UHFFFAOYSA-N 0 3 379.504 3.739 20 10 GHCDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc2cccnc2c1O ZINC001142728315 1029352989 /nfs/dbraw/zinc/35/29/89/1029352989.db2.gz RBPIXAXHERKAOY-UHFFFAOYSA-N 0 3 375.428 3.678 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1[O-] ZINC000843432691 1030005702 /nfs/dbraw/zinc/00/57/02/1030005702.db2.gz HUSGWYCCBLVASU-QGZVFWFLSA-N 0 3 384.314 3.606 20 10 GHCDHN CC(C)n1c2ccccc2nc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC001461716591 1069699120 /nfs/dbraw/zinc/69/91/20/1069699120.db2.gz QPKFEHDWGOIARO-UHFFFAOYSA-N 0 3 377.536 3.659 20 10 GHCDHN COc1cc(C)c(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c([O-])c1 ZINC001205367364 1033379045 /nfs/dbraw/zinc/37/90/45/1033379045.db2.gz SABGLCJYTZRCSJ-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN C[C@@H]1C[C@@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001230506457 1034095037 /nfs/dbraw/zinc/09/50/37/1034095037.db2.gz UMANXVDJZPOVOO-SJLPKXTDSA-N 0 3 385.483 3.631 20 10 GHCDHN C[C@@H]1C[C@@H](CCNC(=O)NCc2c([O-])cccc2F)C[N@H+]1Cc1ccccc1 ZINC001230506457 1034095050 /nfs/dbraw/zinc/09/50/50/1034095050.db2.gz UMANXVDJZPOVOO-SJLPKXTDSA-N 0 3 385.483 3.631 20 10 GHCDHN COc1cc(C)c(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001207347494 1034295249 /nfs/dbraw/zinc/29/52/49/1034295249.db2.gz BJQJMXQVUVYRHG-UHFFFAOYSA-N 0 3 376.497 3.542 20 10 GHCDHN Cc1cncnc1O[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468924 1034613462 /nfs/dbraw/zinc/61/34/62/1034613462.db2.gz IZGANVJJJBINIL-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468924 1034613476 /nfs/dbraw/zinc/61/34/76/1034613476.db2.gz IZGANVJJJBINIL-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN O=c1ccc2c([nH]1)CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231469793 1034615694 /nfs/dbraw/zinc/61/56/94/1034615694.db2.gz LQUMQEJHHASSGE-UHFFFAOYSA-N 0 3 376.456 3.673 20 10 GHCDHN O=c1ccc2c([nH]1)CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231469793 1034615696 /nfs/dbraw/zinc/61/56/96/1034615696.db2.gz LQUMQEJHHASSGE-UHFFFAOYSA-N 0 3 376.456 3.673 20 10 GHCDHN COCCCCN1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001231469609 1034616034 /nfs/dbraw/zinc/61/60/34/1034616034.db2.gz OVDNKCFQHVZCOD-UHFFFAOYSA-N 0 3 384.520 3.515 20 10 GHCDHN CN1CC[C@@]2(C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2c2ccccc2)C1=O ZINC001231587039 1034739947 /nfs/dbraw/zinc/73/99/47/1034739947.db2.gz IHIHUXWTDNLATQ-RDGATRHJSA-N 0 3 386.495 3.993 20 10 GHCDHN CN1CC[C@@]2(C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2c2ccccc2)C1=O ZINC001231587039 1034739962 /nfs/dbraw/zinc/73/99/62/1034739962.db2.gz IHIHUXWTDNLATQ-RDGATRHJSA-N 0 3 386.495 3.993 20 10 GHCDHN NC(=O)c1ccc(OC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC001231591218 1034746295 /nfs/dbraw/zinc/74/62/95/1034746295.db2.gz YTYSLHGWYWCRHD-UHFFFAOYSA-N 0 3 376.456 3.688 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001231852246 1034942608 /nfs/dbraw/zinc/94/26/08/1034942608.db2.gz SLDCSZNWJDZQAJ-APWZRJJASA-N 0 3 389.540 3.593 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001231853051 1034943969 /nfs/dbraw/zinc/94/39/69/1034943969.db2.gz RNDIJHOWJSINOU-UHFFFAOYSA-N 0 3 393.491 3.586 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001161135211 1035154584 /nfs/dbraw/zinc/15/45/84/1035154584.db2.gz VPMKUOHFZIKZKP-JOCHJYFZSA-N 0 3 381.564 3.969 20 10 GHCDHN COC(=O)c1c(CN2CC[C@@H](Oc3ccccc3C)C2)c2ccccc2n1C ZINC001232408096 1038190558 /nfs/dbraw/zinc/19/05/58/1038190558.db2.gz WSAPRDNZXMDMPN-QGZVFWFLSA-N 0 3 378.472 3.927 20 10 GHCDHN Cc1nc(CN2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)c[nH]1 ZINC001232465223 1038249408 /nfs/dbraw/zinc/24/94/08/1038249408.db2.gz YUUAOPVNUUDGLZ-SFHVURJKSA-N 0 3 399.878 3.679 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2cc(O)c(O)c(O)c2)C2CCC2)C1 ZINC001233014958 1038768733 /nfs/dbraw/zinc/76/87/33/1038768733.db2.gz CIFMIKRIQCZYMD-MRXNPFEDSA-N 0 3 392.496 3.557 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109110 1038897349 /nfs/dbraw/zinc/89/73/49/1038897349.db2.gz UFCYEMKJGLEYCV-PBHICJAKSA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001233109110 1038897369 /nfs/dbraw/zinc/89/73/69/1038897369.db2.gz UFCYEMKJGLEYCV-PBHICJAKSA-N 0 3 395.341 3.542 20 10 GHCDHN CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)cc(C)c1[O-])CC2 ZINC001233110796 1038900859 /nfs/dbraw/zinc/90/08/59/1038900859.db2.gz RSQSFHYVLXNFKY-UHFFFAOYSA-N 0 3 395.341 3.830 20 10 GHCDHN CC(=O)N1CCCCC12CCN(Cc1cc(Br)cc(C)c1O)CC2 ZINC001233110796 1038900861 /nfs/dbraw/zinc/90/08/61/1038900861.db2.gz RSQSFHYVLXNFKY-UHFFFAOYSA-N 0 3 395.341 3.830 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cnc(C)c(C)c4)C3)C2)cc1 ZINC001233158702 1038932566 /nfs/dbraw/zinc/93/25/66/1038932566.db2.gz MTVXBWFAIMKYRN-DEOSSOPVSA-N 0 3 395.547 3.826 20 10 GHCDHN Cc1c[nH]c(=O)c(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001233194058 1038960575 /nfs/dbraw/zinc/96/05/75/1038960575.db2.gz KNOZQARXKCHMFI-UHFFFAOYSA-N 0 3 389.499 3.997 20 10 GHCDHN O=C1CC[C@@]2(CCC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)O1 ZINC001233194995 1038961482 /nfs/dbraw/zinc/96/14/82/1038961482.db2.gz AJZIXDUSTIGYBK-LJQANCHMSA-N 0 3 390.277 3.980 20 10 GHCDHN O=C1CC[C@@]2(CCC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C2)O1 ZINC001233194995 1038961487 /nfs/dbraw/zinc/96/14/87/1038961487.db2.gz AJZIXDUSTIGYBK-LJQANCHMSA-N 0 3 390.277 3.980 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC001233288055 1039067515 /nfs/dbraw/zinc/06/75/15/1039067515.db2.gz TVCJCIJHLCQWBH-CYBMUJFWSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC001233288055 1039067535 /nfs/dbraw/zinc/06/75/35/1039067535.db2.gz TVCJCIJHLCQWBH-CYBMUJFWSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1[O-] ZINC001233288610 1039068677 /nfs/dbraw/zinc/06/86/77/1039068677.db2.gz QSEYUAZATJKYBN-IBGZPJMESA-N 0 3 392.908 3.745 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1[O-] ZINC001233288610 1039068695 /nfs/dbraw/zinc/06/86/95/1039068695.db2.gz QSEYUAZATJKYBN-IBGZPJMESA-N 0 3 392.908 3.745 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(C3)CCN(Cc3cccnc3)C4)c2c1 ZINC001234536259 1040109923 /nfs/dbraw/zinc/10/99/23/1040109923.db2.gz MSBAOWBVHAOGPY-UHFFFAOYSA-N 0 3 389.499 3.657 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](Oc4ncc(C)cn4)C3)c2c1 ZINC001234568848 1040135179 /nfs/dbraw/zinc/13/51/79/1040135179.db2.gz DTLHLUPGRXVCKN-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](Oc4ncc(C)cn4)C3)c2c1 ZINC001234568848 1040135184 /nfs/dbraw/zinc/13/51/84/1040135184.db2.gz DTLHLUPGRXVCKN-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H]1c1ccccc1 ZINC001234569294 1040136793 /nfs/dbraw/zinc/13/67/93/1040136793.db2.gz KVIROBOOUGAGGS-IFMALSPDSA-N 0 3 391.467 3.943 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H]1c1ccccc1 ZINC001234569294 1040136796 /nfs/dbraw/zinc/13/67/96/1040136796.db2.gz KVIROBOOUGAGGS-IFMALSPDSA-N 0 3 391.467 3.943 20 10 GHCDHN O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3[O-])C[C@H]2C1 ZINC001234989110 1040485588 /nfs/dbraw/zinc/48/55/88/1040485588.db2.gz STTMFSTWWURLNN-PMACEKPBSA-N 0 3 388.467 3.856 20 10 GHCDHN Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4ccc(C(C)(C)C)cc4[O-])C[C@@H]3C2)nn1 ZINC001235682179 1041148713 /nfs/dbraw/zinc/14/87/13/1041148713.db2.gz OMWAQUUEDAMLJY-IEBWSBKVSA-N 0 3 380.536 3.746 20 10 GHCDHN Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4ccc(C(C)(C)C)cc4[O-])C[C@@H]3C2)nn1 ZINC001235682179 1041148730 /nfs/dbraw/zinc/14/87/30/1041148730.db2.gz OMWAQUUEDAMLJY-IEBWSBKVSA-N 0 3 380.536 3.746 20 10 GHCDHN COc1cc(C)nc(OC2CC[NH+](Cc3ccc(C(C)(C)C)cc3[O-])CC2)n1 ZINC001235682099 1041149149 /nfs/dbraw/zinc/14/91/49/1041149149.db2.gz VCLXNLATIKLNAI-UHFFFAOYSA-N 0 3 385.508 3.840 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)N(C)C)cc1 ZINC001256232132 1041667503 /nfs/dbraw/zinc/66/75/03/1041667503.db2.gz LEYHQFNPKUVPBY-FCHUYYIVSA-N 0 3 380.536 3.684 20 10 GHCDHN C[C@@H](Cc1ccsc1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001256236619 1041670663 /nfs/dbraw/zinc/67/06/63/1041670663.db2.gz IIEVPUNCUZKDLZ-OXJNMPFZSA-N 0 3 388.581 3.689 20 10 GHCDHN COc1ccc(CN(Cc2c([O-])cc(OC)cc2Cl)C2CC[NH2+]CC2)cc1 ZINC001236445744 1041716381 /nfs/dbraw/zinc/71/63/81/1041716381.db2.gz GEQUKVXSKXCZKW-UHFFFAOYSA-N 0 3 390.911 3.817 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c([O-])c1 ZINC001236787019 1041893175 /nfs/dbraw/zinc/89/31/75/1041893175.db2.gz ITCUUSLQAXWPSJ-UHFFFAOYSA-N 0 3 378.516 3.752 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3cccc(Br)c3)CC2)c(O)c1 ZINC001236811326 1041911177 /nfs/dbraw/zinc/91/11/77/1041911177.db2.gz PGNRFVQHGLRIBM-UHFFFAOYSA-N 0 3 391.309 3.794 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)c([O-])c1 ZINC001236811883 1041911246 /nfs/dbraw/zinc/91/12/46/1041911246.db2.gz VMHQNCSOUSWWAY-HXUWFJFHSA-N 0 3 394.515 3.690 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)c([O-])c1 ZINC001236811535 1041911378 /nfs/dbraw/zinc/91/13/78/1041911378.db2.gz QRXRGWQEKPATDA-SFHVURJKSA-N 0 3 386.536 3.618 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3nc4ccccc4cc3C)CC2)c(O)c1 ZINC001236817586 1041914964 /nfs/dbraw/zinc/91/49/64/1041914964.db2.gz FHTUVSSLVVUXPT-UHFFFAOYSA-N 0 3 377.488 3.888 20 10 GHCDHN CCOC(=O)C1CCN(C2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)CC1 ZINC001236830724 1041920536 /nfs/dbraw/zinc/92/05/36/1041920536.db2.gz QPUTZSPUZMYSTP-UHFFFAOYSA-N 0 3 396.531 3.785 20 10 GHCDHN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835462 1041922889 /nfs/dbraw/zinc/92/28/89/1041922889.db2.gz MLYQYJHXVQBEHP-GOSISDBHSA-N 0 3 376.431 3.915 20 10 GHCDHN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835462 1041922894 /nfs/dbraw/zinc/92/28/94/1041922894.db2.gz MLYQYJHXVQBEHP-GOSISDBHSA-N 0 3 376.431 3.915 20 10 GHCDHN C[N@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C1CCCC1 ZINC001236846692 1041926163 /nfs/dbraw/zinc/92/61/63/1041926163.db2.gz WUXGLEPYOIIOTD-UHFFFAOYSA-N 0 3 376.497 3.896 20 10 GHCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2)C1CCCC1 ZINC001236846692 1041926165 /nfs/dbraw/zinc/92/61/65/1041926165.db2.gz WUXGLEPYOIIOTD-UHFFFAOYSA-N 0 3 376.497 3.896 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001237042673 1042002989 /nfs/dbraw/zinc/00/29/89/1042002989.db2.gz JXKLJKKSHLSMOX-HSZRJFAPSA-N 0 3 398.478 3.555 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001237042673 1042002995 /nfs/dbraw/zinc/00/29/95/1042002995.db2.gz JXKLJKKSHLSMOX-HSZRJFAPSA-N 0 3 398.478 3.555 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(C(=S)NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001237043824 1042004400 /nfs/dbraw/zinc/00/44/00/1042004400.db2.gz CPQMKWMNEPWZGT-UHFFFAOYSA-N 0 3 394.537 3.855 20 10 GHCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)O1 ZINC001237053885 1042012130 /nfs/dbraw/zinc/01/21/30/1042012130.db2.gz PSYPZOSFEJUGKE-NZQKXSOJSA-N 0 3 388.552 3.801 20 10 GHCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)O1 ZINC001237053885 1042012135 /nfs/dbraw/zinc/01/21/35/1042012135.db2.gz PSYPZOSFEJUGKE-NZQKXSOJSA-N 0 3 388.552 3.801 20 10 GHCDHN O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@H]12 ZINC001237053770 1042012328 /nfs/dbraw/zinc/01/23/28/1042012328.db2.gz QFISRDFTXCAMTE-CVEARBPZSA-N 0 3 392.377 3.501 20 10 GHCDHN O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@H]12 ZINC001237053770 1042012334 /nfs/dbraw/zinc/01/23/34/1042012334.db2.gz QFISRDFTXCAMTE-CVEARBPZSA-N 0 3 392.377 3.501 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001237055936 1042013002 /nfs/dbraw/zinc/01/30/02/1042013002.db2.gz JGOCYKZRTSPWDQ-UHFFFAOYSA-N 0 3 382.382 3.772 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1C ZINC001237058740 1042014314 /nfs/dbraw/zinc/01/43/14/1042014314.db2.gz BOFUGJYWSYHKQT-ZIAGYGMSSA-N 0 3 389.414 3.745 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1C ZINC001237058740 1042014318 /nfs/dbraw/zinc/01/43/18/1042014318.db2.gz BOFUGJYWSYHKQT-ZIAGYGMSSA-N 0 3 389.414 3.745 20 10 GHCDHN Oc1ccc(Cl)c(Cl)c1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001237078956 1042024713 /nfs/dbraw/zinc/02/47/13/1042024713.db2.gz DVPRSYXMACHTHK-UHFFFAOYSA-N 0 3 381.307 3.507 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001237080062 1042025968 /nfs/dbraw/zinc/02/59/68/1042025968.db2.gz RJBBFHXPRZSYJD-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001237080062 1042025973 /nfs/dbraw/zinc/02/59/73/1042025973.db2.gz RJBBFHXPRZSYJD-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001237080062 1042025977 /nfs/dbraw/zinc/02/59/77/1042025977.db2.gz RJBBFHXPRZSYJD-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001237080062 1042025982 /nfs/dbraw/zinc/02/59/82/1042025982.db2.gz RJBBFHXPRZSYJD-GASCZTMLSA-N 0 3 378.303 3.658 20 10 GHCDHN COC[C@@H]1COCCC12CC[NH+](Cc1c([O-])cccc1OC(F)(F)F)CC2 ZINC001237111078 1042043097 /nfs/dbraw/zinc/04/30/97/1042043097.db2.gz NMZGBPXCFLBQJD-CQSZACIVSA-N 0 3 389.414 3.556 20 10 GHCDHN CCCCN(CCCC)c1ccc(CN2CCCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001237213864 1042092653 /nfs/dbraw/zinc/09/26/53/1042092653.db2.gz XELBLGZAIMJHHQ-OAQYLSRUSA-N 0 3 392.540 3.563 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001237487326 1042230395 /nfs/dbraw/zinc/23/03/95/1042230395.db2.gz YAQDPPDVHXLLKX-LJQANCHMSA-N 0 3 382.504 3.793 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001237488757 1042231393 /nfs/dbraw/zinc/23/13/93/1042231393.db2.gz PBGGQUACFPERTF-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001237488757 1042231397 /nfs/dbraw/zinc/23/13/97/1042231397.db2.gz PBGGQUACFPERTF-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237646292 1042301941 /nfs/dbraw/zinc/30/19/41/1042301941.db2.gz PTPIULDLTCDHAK-WOJBJXKFSA-N 0 3 390.462 3.557 20 10 GHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001237645737 1042302357 /nfs/dbraw/zinc/30/23/57/1042302357.db2.gz JUDGHEVSMZRGHU-UHFFFAOYSA-N 0 3 398.869 3.964 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1[O-] ZINC001237680804 1042322010 /nfs/dbraw/zinc/32/20/10/1042322010.db2.gz VCGHEDVLGNITSA-IBGZPJMESA-N 0 3 388.895 3.952 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684530 1042325614 /nfs/dbraw/zinc/32/56/14/1042325614.db2.gz VJQGOIKCZKVORZ-WMLDXEAASA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)cc1Br ZINC001237684530 1042325619 /nfs/dbraw/zinc/32/56/19/1042325619.db2.gz VJQGOIKCZKVORZ-WMLDXEAASA-N 0 3 395.341 3.542 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3C)CC2)c1[O-] ZINC001237686894 1042327738 /nfs/dbraw/zinc/32/77/38/1042327738.db2.gz UXUVPANESCUXDE-LJQANCHMSA-N 0 3 399.922 3.730 20 10 GHCDHN COCCC[N@H+](Cc1cc(F)cc(C)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238064770 1042480710 /nfs/dbraw/zinc/48/07/10/1042480710.db2.gz BJLKPUIPFJKFPT-SFHVURJKSA-N 0 3 396.503 3.688 20 10 GHCDHN COCCC[N@@H+](Cc1cc(F)cc(C)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001238064770 1042480714 /nfs/dbraw/zinc/48/07/14/1042480714.db2.gz BJLKPUIPFJKFPT-SFHVURJKSA-N 0 3 396.503 3.688 20 10 GHCDHN Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c1O ZINC001279700286 1047923220 /nfs/dbraw/zinc/92/32/20/1047923220.db2.gz YJLLWLNKJWGMBP-HDICACEKSA-N 0 3 390.325 3.640 20 10 GHCDHN Cc1nc2ccccc2cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463280966 1070960740 /nfs/dbraw/zinc/96/07/40/1070960740.db2.gz KROPSKWLGQSECF-QFIPXVFZSA-N 0 3 376.504 3.642 20 10 GHCDHN COc1ccc(-c2ccc(CNCc3cccc(OC)c3O)o2)c([N+](=O)[O-])c1 ZINC000733900690 1049558445 /nfs/dbraw/zinc/55/84/45/1049558445.db2.gz AVYWRMKLTATZJS-UHFFFAOYSA-N 0 3 384.388 3.867 20 10 GHCDHN CN(C)c1cc(F)c(CNC2(CNC(=O)OC(C)(C)C)CCCC2)cc1F ZINC001308271406 1049932788 /nfs/dbraw/zinc/93/27/88/1049932788.db2.gz QYTUJGNRVDBVCK-UHFFFAOYSA-N 0 3 383.483 3.958 20 10 GHCDHN CN(C)[C@@H](CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(F)(F)F ZINC001308934216 1050192237 /nfs/dbraw/zinc/19/22/37/1050192237.db2.gz INJGKBGQMHWLSL-IBGZPJMESA-N 0 3 382.426 3.943 20 10 GHCDHN CCOc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(F)c1 ZINC001310901458 1051690155 /nfs/dbraw/zinc/69/01/55/1051690155.db2.gz XKBMCXAAOCUGEG-HXUWFJFHSA-N 0 3 388.487 3.715 20 10 GHCDHN CC1CCN([C@H](CNC(=O)N2Cc3cccc(O)c3C2)c2ccccc2)CC1 ZINC001311660657 1052311598 /nfs/dbraw/zinc/31/15/98/1052311598.db2.gz XZCHAQHJZZWVMQ-OAQYLSRUSA-N 0 3 379.504 3.891 20 10 GHCDHN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001312966052 1052922632 /nfs/dbraw/zinc/92/26/32/1052922632.db2.gz BCSCMLBJCPEJTI-BDTNDASRSA-N 0 3 380.536 3.519 20 10 GHCDHN CCN1C[C@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC001313859891 1053258291 /nfs/dbraw/zinc/25/82/91/1053258291.db2.gz LWLJGUUYSDDCKT-OALUTQOASA-N 0 3 398.599 3.743 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1[O-] ZINC000848514161 1057142210 /nfs/dbraw/zinc/14/22/10/1057142210.db2.gz KYDJAJXXDKOOAB-SNVBAGLBSA-N 0 3 380.238 3.743 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000848517045 1057144337 /nfs/dbraw/zinc/14/43/37/1057144337.db2.gz AHIMWFPJAGWWGC-IINYFYTJSA-N 0 3 380.286 3.625 20 10 GHCDHN Cc1cccnc1CNC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001325243546 1057297269 /nfs/dbraw/zinc/29/72/69/1057297269.db2.gz ZVZPSJFNODFVIJ-HXUWFJFHSA-N 0 3 384.524 3.812 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2SCCc3sccc32)N(C)C)cc1 ZINC001439960509 1058367317 /nfs/dbraw/zinc/36/73/17/1058367317.db2.gz MCFNJOXJWMEILY-HKUYNNGSSA-N 0 3 389.590 3.564 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(F)F)c(F)c2)N(C)C)cc1 ZINC001439961201 1058368731 /nfs/dbraw/zinc/36/87/31/1058368731.db2.gz PMWXLPXQGMCSBV-GOSISDBHSA-N 0 3 379.426 3.862 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC001448511372 1060208760 /nfs/dbraw/zinc/20/87/60/1060208760.db2.gz VOXNJMXMYMDDPT-UHFFFAOYSA-N 0 3 381.520 3.758 20 10 GHCDHN COc1cccc(CNCc2ccc(OC(F)F)cc2OC(F)F)c1O ZINC001347177692 1062187614 /nfs/dbraw/zinc/18/76/14/1062187614.db2.gz BTHMBBWZYMFATG-UHFFFAOYSA-N 0 3 375.318 3.893 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2N)N(C)C)cc1 ZINC001456930566 1062921989 /nfs/dbraw/zinc/92/19/89/1062921989.db2.gz ILQJIDAPVWUSCK-MRXNPFEDSA-N 0 3 395.334 3.674 20 10 GHCDHN COC[C@@H](NCc1ccc(OC)c(OC)c1O)c1cccc(C(F)(F)F)c1 ZINC001351999153 1064755852 /nfs/dbraw/zinc/75/58/52/1064755852.db2.gz WBLCIDXLQPGRON-OAHLLOKOSA-N 0 3 385.382 3.906 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3cc(C)nc4c3CCCC4)cc2F)CC1 ZINC001200152183 1065384409 /nfs/dbraw/zinc/38/44/09/1065384409.db2.gz QWUYBPWABHQDQU-UHFFFAOYSA-N 0 3 396.554 3.840 20 10 GHCDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467340438 1067237576 /nfs/dbraw/zinc/23/75/76/1067237576.db2.gz NWKIYMBAFYYHMR-LJQANCHMSA-N 0 3 381.480 3.735 20 10 GHCDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001468349206 1067697266 /nfs/dbraw/zinc/69/72/66/1067697266.db2.gz KHLUITYXNVPSCW-GOSISDBHSA-N 0 3 398.526 3.555 20 10 GHCDHN Cc1ccccc1C[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001468433614 1067730219 /nfs/dbraw/zinc/73/02/19/1067730219.db2.gz QKUNQMSZBMYKFZ-PGRDOPGGSA-N 0 3 382.552 3.594 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC2CC(c3ccccc3)C2)N(C)C)cc1 ZINC001469952869 1068487560 /nfs/dbraw/zinc/48/75/60/1068487560.db2.gz UPGOEOJFIZEXIE-AOMIVXANSA-N 0 3 380.536 3.601 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCCC(F)(F)C2)N(C)C)cc1 ZINC001478691757 1078957946 /nfs/dbraw/zinc/95/79/46/1078957946.db2.gz WQIHFFIRJXUHOD-QFBILLFUSA-N 0 3 396.526 3.870 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(C(C)(C)C)o2)N(C)C)cc1 ZINC001471087027 1072916699 /nfs/dbraw/zinc/91/66/99/1072916699.db2.gz JWQBBOSGECVGJA-LJQANCHMSA-N 0 3 386.540 3.745 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](c3cccc(F)c3)C2)N(C)C)cc1 ZINC001471547938 1073126646 /nfs/dbraw/zinc/12/66/46/1073126646.db2.gz QBIMYUZSHDDNKE-DENIHFKCSA-N 0 3 398.526 3.694 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(c3ccc(F)cc3)CCC2)N(C)C)cc1 ZINC001471548967 1073127245 /nfs/dbraw/zinc/12/72/45/1073127245.db2.gz YTGHMZDNSKXQTH-OAQYLSRUSA-N 0 3 398.526 3.873 20 10 GHCDHN CC[C@H](CNc1ccccc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471548227 1073127363 /nfs/dbraw/zinc/12/73/63/1073127363.db2.gz SAAVAYCDDLOZOD-KNQAVFIVSA-N 0 3 397.567 3.545 20 10 GHCDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001474314904 1074338146 /nfs/dbraw/zinc/33/81/46/1074338146.db2.gz STBQQIXULSNQFJ-CYBMUJFWSA-N 0 3 376.394 3.544 20 10 GHCDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001474314904 1074338153 /nfs/dbraw/zinc/33/81/53/1074338153.db2.gz STBQQIXULSNQFJ-CYBMUJFWSA-N 0 3 376.394 3.544 20 10 GHCDHN CCN1CCN(c2cccc(NCc3c(O)cccc3Br)c2)CC1 ZINC001474461497 1074416947 /nfs/dbraw/zinc/41/69/47/1074416947.db2.gz PWFGDCHZPQVFPQ-UHFFFAOYSA-N 0 3 390.325 3.909 20 10 GHCDHN Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279105564 834488739 /nfs/dbraw/zinc/48/87/39/834488739.db2.gz CORFTKYAOIEOCZ-GOOCMWNKSA-N 0 3 379.476 3.721 20 10 GHCDHN COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)no1 ZINC000191631591 841569848 /nfs/dbraw/zinc/56/98/48/841569848.db2.gz OQIHHJWSVXROFC-UHFFFAOYSA-N 0 3 383.423 3.970 20 10 GHCDHN Fc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1N1CCOCC1 ZINC000066990401 842674709 /nfs/dbraw/zinc/67/47/09/842674709.db2.gz AMZPUXQABWGCDD-HSZRJFAPSA-N 0 3 398.478 3.674 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000165181154 843065155 /nfs/dbraw/zinc/06/51/55/843065155.db2.gz SEVALOSXIBTYMB-LJQANCHMSA-N 0 3 388.483 3.920 20 10 GHCDHN CC[C@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)N1CCc2ccccc2C1 ZINC000728945450 843803183 /nfs/dbraw/zinc/80/31/83/843803183.db2.gz UCEOWPOWGARORF-QFBILLFUSA-N 0 3 397.519 3.598 20 10 GHCDHN CCc1ccc([C@H](CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)N(C)C)cc1 ZINC000729045207 844697785 /nfs/dbraw/zinc/69/77/85/844697785.db2.gz RDCZAUXUSWEXGS-YWZLYKJASA-N 0 3 385.508 3.626 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000731364071 861574355 /nfs/dbraw/zinc/57/43/55/861574355.db2.gz KJIUQZFIQJNASX-FQEVSTJZSA-N 0 3 398.526 3.746 20 10 GHCDHN COc1ccc(COC[C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204928 862144704 /nfs/dbraw/zinc/14/47/04/862144704.db2.gz WGIJANXOCLTQJM-NRFANRHFSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1ccc(COC[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732204928 862144707 /nfs/dbraw/zinc/14/47/07/862144707.db2.gz WGIJANXOCLTQJM-NRFANRHFSA-N 0 3 385.504 3.723 20 10 GHCDHN CCOc1cccc(CNCC(=O)Nc2ccc(Br)cc2C)c1O ZINC000732228849 862160497 /nfs/dbraw/zinc/16/04/97/862160497.db2.gz VALZJRYEMBIFSF-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN COc1ccc(OC)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000733335014 862876035 /nfs/dbraw/zinc/87/60/35/862876035.db2.gz YTHZKPXDABYXED-GOSISDBHSA-N 0 3 390.911 3.817 20 10 GHCDHN CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000733334647 862876158 /nfs/dbraw/zinc/87/61/58/862876158.db2.gz NQSDZCNBHVQLHQ-SFHVURJKSA-N 0 3 390.911 3.904 20 10 GHCDHN COc1cccc(COC[C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613867 863064886 /nfs/dbraw/zinc/06/48/86/863064886.db2.gz OHKLYDBFCIIUAK-NRFANRHFSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1cccc(COC[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613867 863064900 /nfs/dbraw/zinc/06/49/00/863064900.db2.gz OHKLYDBFCIIUAK-NRFANRHFSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1cc(Cl)cc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000761214999 859301152 /nfs/dbraw/zinc/30/11/52/859301152.db2.gz GTTCBOVEPHTAOK-AWEZNQCLSA-N 0 3 375.774 3.896 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000765246854 859863713 /nfs/dbraw/zinc/86/37/13/859863713.db2.gz YEEPVVWGJPGSCE-JXFKEZNVSA-N 0 3 399.535 3.854 20 10 GHCDHN COc1cc(C)ccc1[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765255455 859873333 /nfs/dbraw/zinc/87/33/33/859873333.db2.gz QRYCIYQKPURHJF-HKUYNNGSSA-N 0 3 381.520 3.556 20 10 GHCDHN COc1ccc2c(c1)nccc2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765472914 859990705 /nfs/dbraw/zinc/99/07/05/859990705.db2.gz SGSOMGXCVSWKHY-QGZVFWFLSA-N 0 3 390.487 3.557 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CNCc3ccc(C(F)F)c(F)c3)cc2)CC1 ZINC000896054135 860318087 /nfs/dbraw/zinc/31/80/87/860318087.db2.gz PWKYNWOWDLIUMT-UHFFFAOYSA-N 0 3 391.437 3.755 20 10 GHCDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000792822875 881710953 /nfs/dbraw/zinc/71/09/53/881710953.db2.gz NXSXTLPXIQTNMH-LJQANCHMSA-N 0 3 382.426 3.945 20 10 GHCDHN C[C@@](CO)(NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000734845561 864472652 /nfs/dbraw/zinc/47/26/52/864472652.db2.gz UCTWEAXYKNZCMK-FQEVSTJZSA-N 0 3 394.437 3.539 20 10 GHCDHN CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102179 865279565 /nfs/dbraw/zinc/27/95/65/865279565.db2.gz NOCFMIZHJRXFGC-SFTDATJTSA-N 0 3 383.540 3.543 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(-n3cncn3)cc2)c(C(F)(F)F)c1 ZINC000792969195 881854811 /nfs/dbraw/zinc/85/48/11/881854811.db2.gz KSUVKMISXMIVSV-UHFFFAOYSA-N 0 3 375.398 3.642 20 10 GHCDHN CC(=O)N1CC[C@@H](NCc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000857075782 881989582 /nfs/dbraw/zinc/98/95/82/881989582.db2.gz IDCNWWYRUBPUSS-OAQYLSRUSA-N 0 3 381.545 3.827 20 10 GHCDHN COc1ccc(N2CCN(CCCNCc3ncc(C(C)C)s3)CC2)cc1 ZINC000183405201 866711880 /nfs/dbraw/zinc/71/18/80/866711880.db2.gz LFBSKBUDVOKGGY-UHFFFAOYSA-N 0 3 388.581 3.577 20 10 GHCDHN Cc1ccc([C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N(C)C)cc1 ZINC000743589022 868289461 /nfs/dbraw/zinc/28/94/61/868289461.db2.gz OFCYXRYFCBYGKW-NRFANRHFSA-N 0 3 381.520 3.682 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000793604308 882306794 /nfs/dbraw/zinc/30/67/94/882306794.db2.gz FANOLPQZRSYEHL-GFCCVEGCSA-N 0 3 387.318 3.856 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Sc3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000793788796 882412108 /nfs/dbraw/zinc/41/21/08/882412108.db2.gz GMBHSBOMGDIMNS-CRAIPNDOSA-N 0 3 377.893 3.838 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Sc3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000793788796 882412115 /nfs/dbraw/zinc/41/21/15/882412115.db2.gz GMBHSBOMGDIMNS-CRAIPNDOSA-N 0 3 377.893 3.838 20 10 GHCDHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920871370 882429387 /nfs/dbraw/zinc/42/93/87/882429387.db2.gz YFOCQDCXINTSGO-HSALFYBXSA-N 0 3 395.547 3.748 20 10 GHCDHN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920871367 882429449 /nfs/dbraw/zinc/42/94/49/882429449.db2.gz YFOCQDCXINTSGO-AABGKKOBSA-N 0 3 395.547 3.748 20 10 GHCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000775565428 870860643 /nfs/dbraw/zinc/86/06/43/870860643.db2.gz KBABKQSIJUVXHP-JKIFEVAISA-N 0 3 377.481 3.840 20 10 GHCDHN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(N2CCCC2)c1 ZINC000181853939 871541715 /nfs/dbraw/zinc/54/17/15/871541715.db2.gz AGKMLSTWNKATGW-IBGZPJMESA-N 0 3 394.563 3.662 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000182320845 872197743 /nfs/dbraw/zinc/19/77/43/872197743.db2.gz YSIZWNNXWZGZGX-HNNXBMFYSA-N 0 3 380.444 3.775 20 10 GHCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000767192383 872317959 /nfs/dbraw/zinc/31/79/59/872317959.db2.gz QCCOEPWDRIDECP-KRWDZBQOSA-N 0 3 391.437 3.662 20 10 GHCDHN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182436733 872344349 /nfs/dbraw/zinc/34/43/49/872344349.db2.gz BMGUSBBRBSDXJZ-DNVCBOLYSA-N 0 3 386.492 3.718 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000775697339 872952225 /nfs/dbraw/zinc/95/22/25/872952225.db2.gz ZPSLSKQOUVSLHW-GOSISDBHSA-N 0 3 376.294 3.945 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000775697339 872952230 /nfs/dbraw/zinc/95/22/30/872952230.db2.gz ZPSLSKQOUVSLHW-GOSISDBHSA-N 0 3 376.294 3.945 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN2CCN(CCCCO)CC2)cc1 ZINC000769397105 874060567 /nfs/dbraw/zinc/06/05/67/874060567.db2.gz NCAUXPYCTVGUDZ-UHFFFAOYSA-N 0 3 381.564 3.603 20 10 GHCDHN Cc1cc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)n(-c2ccc(C)cc2)n1 ZINC000775832327 874294300 /nfs/dbraw/zinc/29/43/00/874294300.db2.gz YYMCBLKNKUAXFV-GOSISDBHSA-N 0 3 391.519 3.844 20 10 GHCDHN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833875 874319485 /nfs/dbraw/zinc/31/94/85/874319485.db2.gz GVTSKDAQPKZVBI-IRXDYDNUSA-N 0 3 399.535 3.688 20 10 GHCDHN C[C@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775836930 874333282 /nfs/dbraw/zinc/33/32/82/874333282.db2.gz PHGHUPNCZZGLLI-HRAATJIYSA-N 0 3 394.544 3.766 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3c(F)c(F)cc(F)c3F)c2)CC1 ZINC000770146762 874497823 /nfs/dbraw/zinc/49/78/23/874497823.db2.gz HUADFOVLGABGLL-UHFFFAOYSA-N 0 3 381.373 3.637 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2)CC1 ZINC000770146059 874499174 /nfs/dbraw/zinc/49/91/74/874499174.db2.gz DRKMANAUDXJQOK-UHFFFAOYSA-N 0 3 396.491 3.914 20 10 GHCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000776002354 875099675 /nfs/dbraw/zinc/09/96/75/875099675.db2.gz SUWVFDXPYYDIFJ-PXNSSMCTSA-N 0 3 398.503 3.928 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1Oc1ccccc1 ZINC000776009895 875125097 /nfs/dbraw/zinc/12/50/97/875125097.db2.gz YXIODDJZIDSSTA-HQRMLTQVSA-N 0 3 377.868 3.769 20 10 GHCDHN COC(=O)c1ccc(COc2ccc(C[NH2+]Cc3ccccc3[O-])cc2OC)o1 ZINC000771840320 875480153 /nfs/dbraw/zinc/48/01/53/875480153.db2.gz QGBBUEDCTQXRLA-UHFFFAOYSA-N 0 3 397.427 3.649 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2cccc(Cl)c2)CC1 ZINC001201110481 875504927 /nfs/dbraw/zinc/50/49/27/875504927.db2.gz BTOJQTIMMDCHSN-UHFFFAOYSA-N 0 3 375.925 3.997 20 10 GHCDHN CCOC(=O)c1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000776154091 875628617 /nfs/dbraw/zinc/62/86/17/875628617.db2.gz OJSBUTIIKSBNJV-UHFFFAOYSA-N 0 3 394.418 3.816 20 10 GHCDHN COc1ccc(N(c2ccc(N)cc2)c2ccnc(N3CCN(C)CC3)c2)cc1 ZINC001201667559 875804963 /nfs/dbraw/zinc/80/49/63/875804963.db2.gz UNHHWULGAAHYPG-UHFFFAOYSA-N 0 3 389.503 3.894 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H]3CCCOc4cc(F)ccc43)cc2F)CC1 ZINC001201740836 875837148 /nfs/dbraw/zinc/83/71/48/875837148.db2.gz AVKTVOQLPZYMOI-HXUWFJFHSA-N 0 3 387.474 3.720 20 10 GHCDHN CC(C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)N1CCCC1 ZINC000529680883 876517065 /nfs/dbraw/zinc/51/70/65/876517065.db2.gz PQXXXZYAPAXHBM-UHFFFAOYSA-N 0 3 382.504 3.709 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1[O-] ZINC000850526325 876997969 /nfs/dbraw/zinc/99/79/69/876997969.db2.gz PMSSMCAJPYJVMO-AMKSKSKJSA-N 0 3 378.266 3.992 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1[O-] ZINC000850573159 877038204 /nfs/dbraw/zinc/03/82/04/877038204.db2.gz VJRGLYMQINFEHO-IGCXYCKISA-N 0 3 394.309 3.979 20 10 GHCDHN O=C(NCCCSc1nccs1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000152195463 877225548 /nfs/dbraw/zinc/22/55/48/877225548.db2.gz XPEOKXPAYCTHKJ-KRWDZBQOSA-N 0 3 390.578 3.762 20 10 GHCDHN Oc1cc2c(cc1CN(Cc1ccccc1)C[C@H](O)c1ccsc1)OCO2 ZINC000180584219 879044029 /nfs/dbraw/zinc/04/40/29/879044029.db2.gz TVSJXLKGOBFZOM-IBGZPJMESA-N 0 3 383.469 3.918 20 10 GHCDHN C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000111373220 879078347 /nfs/dbraw/zinc/07/83/47/879078347.db2.gz YBHWKWPSPWAGQL-JXFKEZNVSA-N 0 3 399.922 3.633 20 10 GHCDHN FC(F)(F)c1ccn([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000180801248 879332388 /nfs/dbraw/zinc/33/23/88/879332388.db2.gz SVRBVASLILVGLZ-GOSISDBHSA-N 0 3 394.441 3.576 20 10 GHCDHN COc1ccc(CNCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1C ZINC000790606990 879860099 /nfs/dbraw/zinc/86/00/99/879860099.db2.gz IDVGIHDJXJMFDN-QHCPKHFHSA-N 0 3 393.487 3.518 20 10 GHCDHN C[C@H]1CCCN(c2ccc(CNC(=O)N3CCN4CCC3CC4)cc2Cl)C1 ZINC000790852219 880021052 /nfs/dbraw/zinc/02/10/52/880021052.db2.gz IPPVEGBOXXLFGQ-INIZCTEOSA-N 0 3 390.959 3.566 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000772799108 881197468 /nfs/dbraw/zinc/19/74/68/881197468.db2.gz WUMNKWCYTDULQK-AWEZNQCLSA-N 0 3 387.436 3.548 20 10 GHCDHN C[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858528697 883175757 /nfs/dbraw/zinc/17/57/57/883175757.db2.gz FATQNOUZJZYUCK-VFNWGFHPSA-N 0 3 399.922 3.654 20 10 GHCDHN COc1ccc([C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C2CC2)cn1 ZINC000858603709 883226528 /nfs/dbraw/zinc/22/65/28/883226528.db2.gz GIEKBVAKTLQLDT-OYHNWAKOSA-N 0 3 385.483 3.868 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(Cc4ccc(Cl)nc4)CC3)c2c1 ZINC000116257149 883278407 /nfs/dbraw/zinc/27/84/07/883278407.db2.gz UDJFSXLONKMBQZ-UHFFFAOYSA-N 0 3 397.906 3.920 20 10 GHCDHN COc1ccc2ccc(O)c(CN3CCN(Cc4ccc(Cl)nc4)CC3)c2c1 ZINC000116257149 883278421 /nfs/dbraw/zinc/27/84/21/883278421.db2.gz UDJFSXLONKMBQZ-UHFFFAOYSA-N 0 3 397.906 3.920 20 10 GHCDHN O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000187380652 883784185 /nfs/dbraw/zinc/78/41/85/883784185.db2.gz HCCCUQHZUHBVFF-UHFFFAOYSA-N 0 3 378.394 3.805 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)ccc21 ZINC001130518066 884378235 /nfs/dbraw/zinc/37/82/35/884378235.db2.gz DVOSEGGSYQMVNI-IFMALSPDSA-N 0 3 383.536 3.651 20 10 GHCDHN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000806431849 884668950 /nfs/dbraw/zinc/66/89/50/884668950.db2.gz BKUXMBNMFQSLHF-GCJKJVERSA-N 0 3 380.536 3.777 20 10 GHCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000806433724 884671937 /nfs/dbraw/zinc/67/19/37/884671937.db2.gz ZJJPNKAAEZTDQN-WMZHIEFXSA-N 0 3 392.547 3.749 20 10 GHCDHN OCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000808429780 886378481 /nfs/dbraw/zinc/37/84/81/886378481.db2.gz OXIUHKBTYAUOJA-LJQANCHMSA-N 0 3 378.875 3.529 20 10 GHCDHN CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762648109 886615540 /nfs/dbraw/zinc/61/55/40/886615540.db2.gz GYRAIGCHOWSUOQ-YOEHRIQHSA-N 0 3 385.346 3.696 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1[O-] ZINC000808714638 886696919 /nfs/dbraw/zinc/69/69/19/886696919.db2.gz NZSQAUZCSRBPOJ-CYBMUJFWSA-N 0 3 379.863 3.576 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000808729805 886748364 /nfs/dbraw/zinc/74/83/64/886748364.db2.gz PPGIEQXDWCMYOT-GYOIFBIXSA-N 0 3 378.266 3.608 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1[O-] ZINC000809690740 887668048 /nfs/dbraw/zinc/66/80/48/887668048.db2.gz XTQIEWKPZBVCQX-LBPRGKRZSA-N 0 3 378.822 3.635 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1[O-] ZINC000809690740 887668052 /nfs/dbraw/zinc/66/80/52/887668052.db2.gz XTQIEWKPZBVCQX-LBPRGKRZSA-N 0 3 378.822 3.635 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000915888056 888546932 /nfs/dbraw/zinc/54/69/32/888546932.db2.gz HCOSYWDAADOTOW-QFIPXVFZSA-N 0 3 382.552 3.977 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C[C@@H]1C(F)(F)F ZINC001168515517 889610094 /nfs/dbraw/zinc/61/00/94/889610094.db2.gz SMWRCQCWKMQVRZ-IUODEOHRSA-N 0 3 390.402 3.518 20 10 GHCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Br)cc1OCCCO ZINC000812783745 890961709 /nfs/dbraw/zinc/96/17/09/890961709.db2.gz DIZQKUTZIZAQIA-GFCCVEGCSA-N 0 3 398.272 3.906 20 10 GHCDHN COc1ccc(N2CCC(NCc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000812832992 891017729 /nfs/dbraw/zinc/01/77/29/891017729.db2.gz RKMNWQXHJJQOMS-UHFFFAOYSA-N 0 3 380.517 3.972 20 10 GHCDHN COc1ccc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)cc1Cn1cccn1 ZINC000873098397 891470586 /nfs/dbraw/zinc/47/05/86/891470586.db2.gz PKRPRFLACJAKHU-OAQYLSRUSA-N 0 3 390.487 3.528 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(Br)cc3c2OCC3)c1 ZINC000322122177 893459838 /nfs/dbraw/zinc/45/98/38/893459838.db2.gz ACTOGHLOJJMAJT-LLVKDONJSA-N 0 3 378.266 3.949 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSC[C@H]2c2ccccc2)N(C)C)cc1 ZINC001134881735 893463338 /nfs/dbraw/zinc/46/33/38/893463338.db2.gz FVGRERYELHCQNM-BDTNDASRSA-N 0 3 397.588 3.618 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCc3ccccc3C2)N(C)C)cc1 ZINC001134882057 893504552 /nfs/dbraw/zinc/50/45/52/893504552.db2.gz KYNNTDZEYGEAOF-UPVQGACJSA-N 0 3 379.548 3.667 20 10 GHCDHN COc1ccc2oc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c(C)c2c1 ZINC001134882241 893505609 /nfs/dbraw/zinc/50/56/09/893505609.db2.gz NIIHENLMYUQOQB-FQEVSTJZSA-N 0 3 395.503 3.849 20 10 GHCDHN [O-]c1cccc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1Cl ZINC000815133503 893508213 /nfs/dbraw/zinc/50/82/13/893508213.db2.gz LGRODRHERZLORI-UHFFFAOYSA-N 0 3 385.939 3.867 20 10 GHCDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1[O-] ZINC000877756507 893793417 /nfs/dbraw/zinc/79/34/17/893793417.db2.gz NUBNTYBYBRISOX-LSDHHAIUSA-N 0 3 381.476 3.809 20 10 GHCDHN C[C@@H]([NH2+]CC(=O)NCc1cccc(COCc2ccco2)c1)c1ccccc1[O-] ZINC000879648312 895201745 /nfs/dbraw/zinc/20/17/45/895201745.db2.gz JLLXSGDLEHHSEE-QGZVFWFLSA-N 0 3 394.471 3.669 20 10 GHCDHN CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Br)ccc1[O-] ZINC000817941042 895971120 /nfs/dbraw/zinc/97/11/20/895971120.db2.gz IKKSBEPEPCVHTE-ZWKOTPCHSA-N 0 3 392.341 3.961 20 10 GHCDHN C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950084 895975189 /nfs/dbraw/zinc/97/51/89/895975189.db2.gz RREYQOFUFFJMSW-GXSJLCMTSA-N 0 3 392.135 3.710 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc(Br)cc(Br)c1[O-] ZINC000817971879 895988376 /nfs/dbraw/zinc/98/83/76/895988376.db2.gz QMUUEEYKFSRYRH-MWODSPESSA-N 0 3 392.135 3.566 20 10 GHCDHN Cc1cc(C(=O)Nc2ccnn2CCN(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000818944693 896286150 /nfs/dbraw/zinc/28/61/50/896286150.db2.gz UGAOKQHJLVUWIN-UHFFFAOYSA-N 0 3 385.899 3.758 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000822819051 898652462 /nfs/dbraw/zinc/65/24/62/898652462.db2.gz XJCRLSKQZLDORR-JTQLQIEISA-N 0 3 381.226 3.922 20 10 GHCDHN COc1ccc(-n2cc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cn2)cc1 ZINC000823730573 899227316 /nfs/dbraw/zinc/22/73/16/899227316.db2.gz XRGOEWVMRQEIHC-GOSISDBHSA-N 0 3 392.503 3.568 20 10 GHCDHN Cc1nn(-c2ccccn2)c(Cl)c1CNCCCSc1nccs1 ZINC000796310569 914332062 /nfs/dbraw/zinc/33/20/62/914332062.db2.gz QAYMYRNICBMWRF-UHFFFAOYSA-N 0 3 379.942 3.958 20 10 GHCDHN COC(=O)CCc1c(C)[nH]c(CN(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001136918006 899751135 /nfs/dbraw/zinc/75/11/35/899751135.db2.gz CHFDRGOZAFQGDX-UHFFFAOYSA-N 0 3 383.536 3.969 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000263679157 902386862 /nfs/dbraw/zinc/38/68/62/902386862.db2.gz LZIHRVSGMLWDDN-UHFFFAOYSA-N 0 3 375.472 3.581 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000846113961 902690195 /nfs/dbraw/zinc/69/01/95/902690195.db2.gz RGSPQIVFVIPSAX-QWFCFKBJSA-N 0 3 390.524 3.819 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000846113961 902690207 /nfs/dbraw/zinc/69/02/07/902690207.db2.gz RGSPQIVFVIPSAX-QWFCFKBJSA-N 0 3 390.524 3.819 20 10 GHCDHN COc1cccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000846155639 902724037 /nfs/dbraw/zinc/72/40/37/902724037.db2.gz ASWPJLNZWSFCSH-PNHOKKKMSA-N 0 3 390.911 3.777 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000779023058 903063698 /nfs/dbraw/zinc/06/36/98/903063698.db2.gz BYUSVSKVZPGHDT-GUTXKFCHSA-N 0 3 383.330 3.761 20 10 GHCDHN COCc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000151226052 904089509 /nfs/dbraw/zinc/08/95/09/904089509.db2.gz OGNYTBOONCIQNF-HNNXBMFYSA-N 0 3 376.447 3.799 20 10 GHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(OC)c1 ZINC000151587453 904162219 /nfs/dbraw/zinc/16/22/19/904162219.db2.gz ZBZBCAOWCPDPRE-KRWDZBQOSA-N 0 3 384.520 3.763 20 10 GHCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795438 921169968 /nfs/dbraw/zinc/16/99/68/921169968.db2.gz NLHOVFXLDIWKJI-SUMWQHHRSA-N 0 3 391.493 3.543 20 10 GHCDHN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000065429803 906783293 /nfs/dbraw/zinc/78/32/93/906783293.db2.gz WEYQGBRVSIBHSU-IBGZPJMESA-N 0 3 376.504 3.619 20 10 GHCDHN Cc1cc(Br)cc(CN[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c1O ZINC001206232667 907237850 /nfs/dbraw/zinc/23/78/50/907237850.db2.gz MPPYRILECTUYGJ-CJNGLKHVSA-N 0 3 398.322 3.887 20 10 GHCDHN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001175418448 907542425 /nfs/dbraw/zinc/54/24/25/907542425.db2.gz KJRLWQZYCJAYLB-STQMWFEESA-N 0 3 390.505 3.871 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(F)ccc1[O-] ZINC000185181045 907728108 /nfs/dbraw/zinc/72/81/08/907728108.db2.gz FVOMNKVRXKOFFJ-OAGGEKHMSA-N 0 3 386.467 3.632 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000192698318 907856323 /nfs/dbraw/zinc/85/63/23/907856323.db2.gz BDSKBMWQFBBUOV-FQEVSTJZSA-N 0 3 385.439 3.738 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000779604130 907859789 /nfs/dbraw/zinc/85/97/89/907859789.db2.gz HJGXNMKANRODRX-SFHVURJKSA-N 0 3 376.928 3.969 20 10 GHCDHN COc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccc1F ZINC001177333465 908530297 /nfs/dbraw/zinc/53/02/97/908530297.db2.gz CATPSMZLPQBKBQ-GASCZTMLSA-N 0 3 376.447 3.877 20 10 GHCDHN CN(C)c1cc(F)c(CNCCNc2cccc(Br)c2)cc1F ZINC001178317528 909014456 /nfs/dbraw/zinc/01/44/56/909014456.db2.gz KDBVWDTWGIOKGL-UHFFFAOYSA-N 0 3 384.268 3.995 20 10 GHCDHN COCC(C)(C)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC001182470620 911785666 /nfs/dbraw/zinc/78/56/66/911785666.db2.gz PGZBZGRYXZSGFE-UHFFFAOYSA-N 0 3 393.575 3.792 20 10 GHCDHN C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001182615570 911928252 /nfs/dbraw/zinc/92/82/52/911928252.db2.gz GAUFPEOKOXZPSZ-GBESFXJTSA-N 0 3 384.520 3.559 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000775259001 916687495 /nfs/dbraw/zinc/68/74/95/916687495.db2.gz DONJZSNBEZMEOS-SFHVURJKSA-N 0 3 389.499 3.966 20 10 GHCDHN COc1ccc(-c2ccncc2)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000775307019 916885277 /nfs/dbraw/zinc/88/52/77/916885277.db2.gz XIAGYGMKFXLLRG-UHFFFAOYSA-N 0 3 389.499 3.884 20 10 GHCDHN COCCC(=O)N1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000294940918 917062130 /nfs/dbraw/zinc/06/21/30/917062130.db2.gz XYKPNCAHBCKMPW-JOCHJYFZSA-N 0 3 396.531 3.683 20 10 GHCDHN COC1CCN(c2ccc(CN[C@H](C)c3ccc([S@@](C)=O)cc3)cc2)CC1 ZINC000294996749 917087343 /nfs/dbraw/zinc/08/73/43/917087343.db2.gz NTMKMUFAWGAWLU-XGCWNURASA-N 0 3 386.561 3.890 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2ccc(C(C)(C)C)cc2)c1 ZINC000775369392 917207915 /nfs/dbraw/zinc/20/79/15/917207915.db2.gz AOTCATLVUZDLRB-MRXNPFEDSA-N 0 3 384.520 3.708 20 10 GHCDHN Oc1ccccc1CN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CCCO1 ZINC001192015009 918358828 /nfs/dbraw/zinc/35/88/28/918358828.db2.gz YNROWLWZGIMSAX-MRXNPFEDSA-N 0 3 377.387 3.895 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1-c1ccccc1 ZINC000281176626 919586525 /nfs/dbraw/zinc/58/65/25/919586525.db2.gz IILBDTVUTXRRLS-LJQANCHMSA-N 0 3 390.531 3.932 20 10 GHCDHN CCOc1ccc(Oc2cc(CNCc3cc4c(cc3O)OCO4)ccn2)cc1 ZINC000725846971 926466645 /nfs/dbraw/zinc/46/66/45/926466645.db2.gz QYCXCYJBOZPOPO-UHFFFAOYSA-N 0 3 394.427 3.997 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000753570257 929423554 /nfs/dbraw/zinc/42/35/54/929423554.db2.gz IXRCKGGKMHGZPW-XMMPIXPASA-N 0 3 375.468 3.895 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000753570255 929424196 /nfs/dbraw/zinc/42/41/96/929424196.db2.gz IXRCKGGKMHGZPW-DEOSSOPVSA-N 0 3 375.468 3.895 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000758204715 929972649 /nfs/dbraw/zinc/97/26/49/929972649.db2.gz XGOUBWPKPRQSPQ-LAUBAEHRSA-N 0 3 388.515 3.882 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(c4ncccc4F)CC3)c2c1 ZINC000783981536 931739852 /nfs/dbraw/zinc/73/98/52/931739852.db2.gz FXVKEESQFVMGGQ-UHFFFAOYSA-N 0 3 381.451 3.800 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(c4ncccc4F)CC3)c2c1 ZINC000783981536 931739856 /nfs/dbraw/zinc/73/98/56/931739856.db2.gz FXVKEESQFVMGGQ-UHFFFAOYSA-N 0 3 381.451 3.800 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cc2Cl)C1 ZINC000799938657 933177714 /nfs/dbraw/zinc/17/77/14/933177714.db2.gz DMURZNJDSBODJK-NVXWUHKLSA-N 0 3 390.959 3.612 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(c4ccc(C)cc4)CC3)cc2)CC1 ZINC000828779311 935706897 /nfs/dbraw/zinc/70/68/97/935706897.db2.gz ZMDGAPWUSLIARH-UHFFFAOYSA-N 0 3 379.548 3.932 20 10 GHCDHN CCO[C@@H]1C[C@@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1(C)C ZINC001204239535 1032682905 /nfs/dbraw/zinc/68/29/05/1032682905.db2.gz WQKIOPAAERPSMP-QZTJIDSGSA-N 0 3 376.472 3.739 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC001204277405 1032719571 /nfs/dbraw/zinc/71/95/71/1032719571.db2.gz CZRARTQNWXCTDC-UHFFFAOYSA-N 0 3 394.393 3.511 20 10 GHCDHN O=C(Cc1ccccc1)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328851 1032771173 /nfs/dbraw/zinc/77/11/73/1032771173.db2.gz QGBPZHZHODAXFN-UHFFFAOYSA-N 0 3 377.532 3.564 20 10 GHCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000779012482 1020209099 /nfs/dbraw/zinc/20/90/99/1020209099.db2.gz OBWVYRDROMHZJO-AWEZNQCLSA-N 0 3 391.309 3.852 20 10 GHCDHN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001140338219 1021443539 /nfs/dbraw/zinc/44/35/39/1021443539.db2.gz BGDJKUZRKJWHCL-UHFFFAOYSA-N 0 3 392.952 3.974 20 10 GHCDHN COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccccc2[O-])cc1Br ZINC000834898422 1021643911 /nfs/dbraw/zinc/64/39/11/1021643911.db2.gz CVODTAMVIBCUDO-DZGCQCFKSA-N 0 3 394.309 3.665 20 10 GHCDHN COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000834905848 1021657918 /nfs/dbraw/zinc/65/79/18/1021657918.db2.gz VCWLJQMWGWSYTA-ZIAGYGMSSA-N 0 3 394.309 3.665 20 10 GHCDHN Cc1cc(C(=O)NC2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)c(C)o1 ZINC000835026721 1021784198 /nfs/dbraw/zinc/78/41/98/1021784198.db2.gz FTBHYQUMLABUSE-AATRIKPKSA-N 0 3 381.520 3.870 20 10 GHCDHN CN(C)c1ccc(/C=C/CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000835034967 1021790105 /nfs/dbraw/zinc/79/01/05/1021790105.db2.gz CUZMPYJFWSILSA-HDFUYHJRSA-N 0 3 377.532 3.589 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 ZINC000827733508 1022334377 /nfs/dbraw/zinc/33/43/77/1022334377.db2.gz GTRFSKWVFKXQIO-UHFFFAOYSA-N 0 3 385.533 3.801 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1 ZINC001140852673 1022702011 /nfs/dbraw/zinc/70/20/11/1022702011.db2.gz XAHFZAAIQXVCCH-UHFFFAOYSA-N 0 3 393.535 3.691 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c(Cl)c1 ZINC001140924006 1022900185 /nfs/dbraw/zinc/90/01/85/1022900185.db2.gz KBGNIWLLLBWQFU-CALCHBBNSA-N 0 3 389.952 3.672 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC(N4CCCC4)=NO3)CC2)c(Cl)c1 ZINC001140925086 1022902036 /nfs/dbraw/zinc/90/20/36/1022902036.db2.gz ZHNBJSRXKAGSPC-UHFFFAOYSA-N 0 3 376.932 3.570 20 10 GHCDHN COc1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)cc1C ZINC000754890490 1022951281 /nfs/dbraw/zinc/95/12/81/1022951281.db2.gz HHNCZJATVOTSSD-UHFFFAOYSA-N 0 3 387.281 3.841 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950408 1022972573 /nfs/dbraw/zinc/97/25/73/1022972573.db2.gz SAPNJBMDKCZSMN-XZOQPEGZSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950408 1022972577 /nfs/dbraw/zinc/97/25/77/1022972577.db2.gz SAPNJBMDKCZSMN-XZOQPEGZSA-N 0 3 389.536 3.515 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030724 1023296079 /nfs/dbraw/zinc/29/60/79/1023296079.db2.gz IPNPPJPJRZHBPC-IAGOWNOFSA-N 0 3 394.512 3.677 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030724 1023296088 /nfs/dbraw/zinc/29/60/88/1023296088.db2.gz IPNPPJPJRZHBPC-IAGOWNOFSA-N 0 3 394.512 3.677 20 10 GHCDHN CCC[N@H+](Cc1c([O-])cc(OC)cc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141031057 1023297358 /nfs/dbraw/zinc/29/73/58/1023297358.db2.gz WDSQPQGPKRVYHS-OAHLLOKOSA-N 0 3 394.512 3.631 20 10 GHCDHN CCC[N@@H+](Cc1c([O-])cc(OC)cc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141031057 1023297369 /nfs/dbraw/zinc/29/73/69/1023297369.db2.gz WDSQPQGPKRVYHS-OAHLLOKOSA-N 0 3 394.512 3.631 20 10 GHCDHN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000756122395 1023529124 /nfs/dbraw/zinc/52/91/24/1023529124.db2.gz QEZIJCPIRXHYJG-INIZCTEOSA-N 0 3 386.492 3.974 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756351372 1023602479 /nfs/dbraw/zinc/60/24/79/1023602479.db2.gz JBWVXGXAHLFAEK-ZMYBRWDISA-N 0 3 388.458 3.882 20 10 GHCDHN Cc1ccc([C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CCC2)o1 ZINC000756443785 1023653648 /nfs/dbraw/zinc/65/36/48/1023653648.db2.gz UZORDBPTQCXQFZ-UGKGYDQZSA-N 0 3 381.520 3.921 20 10 GHCDHN COc1cc(OC)c(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000756554926 1023712087 /nfs/dbraw/zinc/71/20/87/1023712087.db2.gz ORXGITHFEDGSPF-MLGOLLRUSA-N 0 3 375.440 3.938 20 10 GHCDHN COc1cc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc(OC)c1 ZINC000756638883 1023749001 /nfs/dbraw/zinc/74/90/01/1023749001.db2.gz WUHRELGASNRUKV-WTANOLMUSA-N 0 3 389.467 3.538 20 10 GHCDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)c1ccc(C(F)(F)F)cc1 ZINC001141163279 1023989141 /nfs/dbraw/zinc/98/91/41/1023989141.db2.gz YJJTZUZITXOFBV-UHFFFAOYSA-N 0 3 394.393 3.511 20 10 GHCDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000837625692 1024595975 /nfs/dbraw/zinc/59/59/75/1024595975.db2.gz UPXXXIZYUYPLMF-UHFFFAOYSA-N 0 3 386.565 3.622 20 10 GHCDHN C[C@@]1(F)CCCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676189 1025201164 /nfs/dbraw/zinc/20/11/64/1025201164.db2.gz CUCYKAABOOJTBZ-GOSISDBHSA-N 0 3 385.321 4.000 20 10 GHCDHN COCC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138679310 1025204587 /nfs/dbraw/zinc/20/45/87/1025204587.db2.gz XKOXIHUPFFQYNI-KRWDZBQOSA-N 0 3 397.357 3.677 20 10 GHCDHN CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1COCC12OCCO2 ZINC000839177112 1025686210 /nfs/dbraw/zinc/68/62/10/1025686210.db2.gz VGBXJCXLBIGOSW-OAQYLSRUSA-N 0 3 383.488 3.565 20 10 GHCDHN COc1ccc2c(c1)c1c(n2CC(=O)NCCN2CCCC(C)(C)C2)CCCC1 ZINC001139262200 1026111824 /nfs/dbraw/zinc/11/18/24/1026111824.db2.gz BIVVTRICIVCOOY-UHFFFAOYSA-N 0 3 397.563 3.767 20 10 GHCDHN CCc1cccc2c1OCC[C@H]2NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461174394 1069426347 /nfs/dbraw/zinc/42/63/47/1069426347.db2.gz RBJGSFUOWRXWSF-OAQYLSRUSA-N 0 3 383.511 3.753 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552655 1027430140 /nfs/dbraw/zinc/43/01/40/1027430140.db2.gz PMMOSQWZKSQUKJ-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](Cc2ccccc2[O-])C3)n1 ZINC001203552655 1027430148 /nfs/dbraw/zinc/43/01/48/1027430148.db2.gz PMMOSQWZKSQUKJ-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001203552583 1027430600 /nfs/dbraw/zinc/43/06/00/1027430600.db2.gz ONSARJNSCKWKPA-UHFFFAOYSA-N 0 3 385.471 3.877 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC001203562050 1027434601 /nfs/dbraw/zinc/43/46/01/1027434601.db2.gz CEGFNXVMZYLHDV-UHFFFAOYSA-N 0 3 378.394 3.805 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)c([O-])c1 ZINC001203623425 1027486073 /nfs/dbraw/zinc/48/60/73/1027486073.db2.gz QGUKMWNQTIQFPU-UHFFFAOYSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)c([O-])c1 ZINC001203623425 1027486081 /nfs/dbraw/zinc/48/60/81/1027486081.db2.gz QGUKMWNQTIQFPU-UHFFFAOYSA-N 0 3 386.517 3.591 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203645802 1027503563 /nfs/dbraw/zinc/50/35/63/1027503563.db2.gz SSYSLCHATNGQQB-QZTJIDSGSA-N 0 3 387.321 3.719 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000841997624 1029026082 /nfs/dbraw/zinc/02/60/82/1029026082.db2.gz OGILJPFDMLWVSJ-JOCHJYFZSA-N 0 3 380.536 3.560 20 10 GHCDHN CCOc1cccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c1[O-] ZINC000843414284 1029988486 /nfs/dbraw/zinc/98/84/86/1029988486.db2.gz YUOKEOVLIMXGBY-UHFFFAOYSA-N 0 3 379.497 3.504 20 10 GHCDHN CCOc1cccc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c1[O-] ZINC000843414284 1029988490 /nfs/dbraw/zinc/98/84/90/1029988490.db2.gz YUOKEOVLIMXGBY-UHFFFAOYSA-N 0 3 379.497 3.504 20 10 GHCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)NCc1cccs1 ZINC000843428188 1029997981 /nfs/dbraw/zinc/99/79/81/1029997981.db2.gz RKKWBLCKGOSVRV-HNNXBMFYSA-N 0 3 397.338 3.709 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1[O-] ZINC000843432690 1030006326 /nfs/dbraw/zinc/00/63/26/1030006326.db2.gz HUSGWYCCBLVASU-KRWDZBQOSA-N 0 3 384.314 3.606 20 10 GHCDHN CN(C)c1ccc(-c2nc(C(=O)Nc3ccc4c(c3)CNCCO4)cs2)cc1 ZINC001219030016 1031222123 /nfs/dbraw/zinc/22/21/23/1031222123.db2.gz ZCHDJTDTQWZOED-UHFFFAOYSA-N 0 3 394.500 3.610 20 10 GHCDHN CO[C@H]1CCN[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)C1 ZINC001219203637 1031303773 /nfs/dbraw/zinc/30/37/73/1031303773.db2.gz KYOBGXKIMBBZMO-CSKBXNHDSA-N 0 3 379.504 3.629 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1[O-] ZINC001277440274 1033854154 /nfs/dbraw/zinc/85/41/54/1033854154.db2.gz YKUKHRXZTIVWEA-IBGZPJMESA-N 0 3 386.870 3.824 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1[O-] ZINC001277440274 1033854176 /nfs/dbraw/zinc/85/41/76/1033854176.db2.gz YKUKHRXZTIVWEA-IBGZPJMESA-N 0 3 386.870 3.824 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1[O-] ZINC001277440277 1033855351 /nfs/dbraw/zinc/85/53/51/1033855351.db2.gz YKUKHRXZTIVWEA-LJQANCHMSA-N 0 3 386.870 3.824 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1[O-] ZINC001277440277 1033855361 /nfs/dbraw/zinc/85/53/61/1033855361.db2.gz YKUKHRXZTIVWEA-LJQANCHMSA-N 0 3 386.870 3.824 20 10 GHCDHN CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231467951 1034612336 /nfs/dbraw/zinc/61/23/36/1034612336.db2.gz PXFMTYOKWOUMHQ-UHFFFAOYSA-N 0 3 394.515 3.806 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231469452 1034613548 /nfs/dbraw/zinc/61/35/48/1034613548.db2.gz DHBVNUMYXMFOSO-FQEVSTJZSA-N 0 3 375.415 3.971 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231469452 1034613556 /nfs/dbraw/zinc/61/35/56/1034613556.db2.gz DHBVNUMYXMFOSO-FQEVSTJZSA-N 0 3 375.415 3.971 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001231589102 1034743691 /nfs/dbraw/zinc/74/36/91/1034743691.db2.gz WLAKIDKNWMMCGG-HYBUGGRVSA-N 0 3 390.483 3.606 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001231589102 1034743705 /nfs/dbraw/zinc/74/37/05/1034743705.db2.gz WLAKIDKNWMMCGG-HYBUGGRVSA-N 0 3 390.483 3.606 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CC1)C(=O)N(C)[C@H]2c1ccccc1 ZINC001231852782 1034943758 /nfs/dbraw/zinc/94/37/58/1034943758.db2.gz NUYNEYGYBQZIKQ-QFIPXVFZSA-N 0 3 393.531 3.557 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001231852252 1034943909 /nfs/dbraw/zinc/94/39/09/1034943909.db2.gz SLDCSZNWJDZQAJ-VQIMIIECSA-N 0 3 389.540 3.593 20 10 GHCDHN COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231868895 1034954912 /nfs/dbraw/zinc/95/49/12/1034954912.db2.gz YUXXJIJLTPZNLX-NQIIRXRSSA-N 0 3 378.944 3.534 20 10 GHCDHN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231868895 1034954908 /nfs/dbraw/zinc/95/49/08/1034954908.db2.gz YUXXJIJLTPZNLX-NQIIRXRSSA-N 0 3 378.944 3.534 20 10 GHCDHN CNC(=O)OC[C@H]1CCCCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001462303601 1070155705 /nfs/dbraw/zinc/15/57/05/1070155705.db2.gz IUVIQYLEQGRPFI-JOCHJYFZSA-N 0 3 393.531 3.960 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC001233197496 1038962800 /nfs/dbraw/zinc/96/28/00/1038962800.db2.gz JFJMRXAOGBFGMH-MRXNPFEDSA-N 0 3 375.310 3.978 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC001233197496 1038962802 /nfs/dbraw/zinc/96/28/02/1038962802.db2.gz JFJMRXAOGBFGMH-MRXNPFEDSA-N 0 3 375.310 3.978 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc(C)c(O)c4)C3)C2)cc1 ZINC001233231893 1038993110 /nfs/dbraw/zinc/99/31/10/1038993110.db2.gz UYVBRBDFDMMJQJ-XMMPIXPASA-N 0 3 396.531 3.828 20 10 GHCDHN CC[C@@](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])(C(=O)OC)c1ccccc1 ZINC001462333453 1070179020 /nfs/dbraw/zinc/17/90/20/1070179020.db2.gz OKLADAIIHQCILS-FQEVSTJZSA-N 0 3 377.868 3.665 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233746006 1039586131 /nfs/dbraw/zinc/58/61/31/1039586131.db2.gz QZUAHWNZOADOMQ-RDTXWAMCSA-N 0 3 389.414 3.698 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233746006 1039586148 /nfs/dbraw/zinc/58/61/48/1039586148.db2.gz QZUAHWNZOADOMQ-RDTXWAMCSA-N 0 3 389.414 3.698 20 10 GHCDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754693 1039592466 /nfs/dbraw/zinc/59/24/66/1039592466.db2.gz ISPRHUHIJNGCEA-UHFFFAOYSA-N 0 3 383.366 3.856 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754693 1039592479 /nfs/dbraw/zinc/59/24/79/1039592479.db2.gz ISPRHUHIJNGCEA-UHFFFAOYSA-N 0 3 383.366 3.856 20 10 GHCDHN CCN1CCN(c2ccc(O[C@@H](C)c3cc(Br)no3)cc2)CC1 ZINC001234661242 1040196003 /nfs/dbraw/zinc/19/60/03/1040196003.db2.gz SMSAGSSXMDJQAX-ZDUSSCGKSA-N 0 3 380.286 3.719 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2F)N(C)C)cc1 ZINC001254602920 1040374450 /nfs/dbraw/zinc/37/44/50/1040374450.db2.gz BKBZSSKMXQNDQI-FSSWDIPSSA-N 0 3 398.526 3.680 20 10 GHCDHN [O-]c1c(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)cccc1-c1ccccc1 ZINC001234989363 1040485556 /nfs/dbraw/zinc/48/55/56/1040485556.db2.gz WMFYWQDDMQBIQO-UHFFFAOYSA-N 0 3 399.498 3.559 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCc3ncc(Cn4cccn4)n3CC2)cccc1-c1ccccc1 ZINC001234989363 1040485562 /nfs/dbraw/zinc/48/55/62/1040485562.db2.gz WMFYWQDDMQBIQO-UHFFFAOYSA-N 0 3 399.498 3.559 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990420 1040486160 /nfs/dbraw/zinc/48/61/60/1040486160.db2.gz GXILNWHOKGKMKT-MOPGFXCFSA-N 0 3 398.503 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234990420 1040486177 /nfs/dbraw/zinc/48/61/77/1040486177.db2.gz GXILNWHOKGKMKT-MOPGFXCFSA-N 0 3 398.503 3.519 20 10 GHCDHN COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235001187 1040494714 /nfs/dbraw/zinc/49/47/14/1040494714.db2.gz SSSFSMPIJCWYRV-LJQANCHMSA-N 0 3 391.471 3.901 20 10 GHCDHN COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001235001187 1040494721 /nfs/dbraw/zinc/49/47/21/1040494721.db2.gz SSSFSMPIJCWYRV-LJQANCHMSA-N 0 3 391.471 3.901 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](CF)c2ccc(F)cc2)N(C)C)cc1 ZINC001235464863 1040950584 /nfs/dbraw/zinc/95/05/84/1040950584.db2.gz QRTVVIWOZPIKPD-UXHICEINSA-N 0 3 390.478 3.504 20 10 GHCDHN COc1cc([O-])c(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1Cl ZINC001236406639 1041703928 /nfs/dbraw/zinc/70/39/28/1041703928.db2.gz CKENGBSHNISEAY-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN CCc1ccc(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c(O)c1 ZINC001236788699 1041894685 /nfs/dbraw/zinc/89/46/85/1041894685.db2.gz NMZPLXNAVUIHMJ-NZQKXSOJSA-N 0 3 382.504 3.800 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001236789691 1041895738 /nfs/dbraw/zinc/89/57/38/1041895738.db2.gz HPIXZNSOIXNKBD-IYBDPMFKSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001236789691 1041895744 /nfs/dbraw/zinc/89/57/44/1041895744.db2.gz HPIXZNSOIXNKBD-IYBDPMFKSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001236789691 1041895752 /nfs/dbraw/zinc/89/57/52/1041895752.db2.gz HPIXZNSOIXNKBD-IYBDPMFKSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001236789691 1041895760 /nfs/dbraw/zinc/89/57/60/1041895760.db2.gz HPIXZNSOIXNKBD-IYBDPMFKSA-N 0 3 378.303 3.658 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236810769 1041910619 /nfs/dbraw/zinc/91/06/19/1041910619.db2.gz JPOZHOQPEOELHZ-XMMPIXPASA-N 0 3 394.515 3.642 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236810769 1041910620 /nfs/dbraw/zinc/91/06/20/1041910620.db2.gz JPOZHOQPEOELHZ-XMMPIXPASA-N 0 3 394.515 3.642 20 10 GHCDHN COc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816811 1041914268 /nfs/dbraw/zinc/91/42/68/1041914268.db2.gz XZSOUULKXVILIX-MRXNPFEDSA-N 0 3 378.513 3.929 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816811 1041914273 /nfs/dbraw/zinc/91/42/73/1041914273.db2.gz XZSOUULKXVILIX-MRXNPFEDSA-N 0 3 378.513 3.929 20 10 GHCDHN O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236829198 1041919802 /nfs/dbraw/zinc/91/98/02/1041919802.db2.gz GJYIQKMRFWFYDI-NRFANRHFSA-N 0 3 387.483 3.579 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001236828512 1041919974 /nfs/dbraw/zinc/91/99/74/1041919974.db2.gz AKEYEIUUEREJQA-REWPJTCUSA-N 0 3 376.456 3.753 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001236828512 1041919977 /nfs/dbraw/zinc/91/99/77/1041919977.db2.gz AKEYEIUUEREJQA-REWPJTCUSA-N 0 3 376.456 3.753 20 10 GHCDHN O=C1Nc2ncccc2C2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)O1 ZINC001236831816 1041921572 /nfs/dbraw/zinc/92/15/72/1041921572.db2.gz IBFJNPIYWJILTQ-UHFFFAOYSA-N 0 3 375.428 3.994 20 10 GHCDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C2(CC2)C1 ZINC001236853405 1041929026 /nfs/dbraw/zinc/92/90/26/1041929026.db2.gz ZENKCZTXFHDMQK-HNNXBMFYSA-N 0 3 388.508 3.896 20 10 GHCDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C2(CC2)C1 ZINC001236853405 1041929027 /nfs/dbraw/zinc/92/90/27/1041929027.db2.gz ZENKCZTXFHDMQK-HNNXBMFYSA-N 0 3 388.508 3.896 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001237039872 1041999596 /nfs/dbraw/zinc/99/95/96/1041999596.db2.gz COGYXCNNQAFOEV-DEOSSOPVSA-N 0 3 392.499 3.691 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001237039872 1041999599 /nfs/dbraw/zinc/99/95/99/1041999599.db2.gz COGYXCNNQAFOEV-DEOSSOPVSA-N 0 3 392.499 3.691 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)c([O-])c1 ZINC001237045302 1042005056 /nfs/dbraw/zinc/00/50/56/1042005056.db2.gz HNEUJBJMMOKEBL-UHFFFAOYSA-N 0 3 379.460 3.778 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(C(C)C)cc2[O-])cs1 ZINC001237048663 1042008325 /nfs/dbraw/zinc/00/83/25/1042008325.db2.gz MPJDHPPQLSPKPS-RBUKOAKNSA-N 0 3 385.533 3.656 20 10 GHCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(C(C)C)cc2[O-])cs1 ZINC001237048663 1042008331 /nfs/dbraw/zinc/00/83/31/1042008331.db2.gz MPJDHPPQLSPKPS-RBUKOAKNSA-N 0 3 385.533 3.656 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)c2ccc(C)cc21 ZINC001237488942 1042232466 /nfs/dbraw/zinc/23/24/66/1042232466.db2.gz SPAIVENLPLMRAM-NRFANRHFSA-N 0 3 393.531 3.917 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001237490170 1042232605 /nfs/dbraw/zinc/23/26/05/1042232605.db2.gz QNFHELWQDQJQHP-IRLDBZIGSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001237490170 1042232608 /nfs/dbraw/zinc/23/26/08/1042232608.db2.gz QNFHELWQDQJQHP-IRLDBZIGSA-N 0 3 386.467 3.685 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684518 1042324826 /nfs/dbraw/zinc/32/48/26/1042324826.db2.gz VEMQGYBDFYJOBX-DNVCBOLYSA-N 0 3 398.341 3.871 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C2 ZINC001237684518 1042324831 /nfs/dbraw/zinc/32/48/31/1042324831.db2.gz VEMQGYBDFYJOBX-DNVCBOLYSA-N 0 3 398.341 3.871 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1[O-] ZINC001237685892 1042325879 /nfs/dbraw/zinc/32/58/79/1042325879.db2.gz PAORPUHSQTYZHR-IBGZPJMESA-N 0 3 384.907 3.850 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001462684309 1070468701 /nfs/dbraw/zinc/46/87/01/1070468701.db2.gz NBRTVZRPMRCSDK-UHFFFAOYSA-N 0 3 386.439 3.644 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cncc(-c3ccccc3)c2)N(C)C)cc1 ZINC001463278933 1070958874 /nfs/dbraw/zinc/95/88/74/1070958874.db2.gz HTBBHLJGGPLHQL-HSZRJFAPSA-N 0 3 388.515 3.847 20 10 GHCDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CCCCC1 ZINC001307566067 1049407162 /nfs/dbraw/zinc/40/71/62/1049407162.db2.gz GRMHTWQVVJELDE-PMACEKPBSA-N 0 3 388.508 3.527 20 10 GHCDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CCCCC1 ZINC001307566067 1049407170 /nfs/dbraw/zinc/40/71/70/1049407170.db2.gz GRMHTWQVVJELDE-PMACEKPBSA-N 0 3 388.508 3.527 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CSc2ccc(F)c(F)c2)N(C)C)cc1 ZINC001289600952 1049556184 /nfs/dbraw/zinc/55/61/84/1049556184.db2.gz WSXRVGWPPYWPBH-IBGZPJMESA-N 0 3 393.503 3.542 20 10 GHCDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2ncccc12 ZINC001289602253 1049557215 /nfs/dbraw/zinc/55/72/15/1049557215.db2.gz LZGRBOVNGFGTCT-OAQYLSRUSA-N 0 3 376.504 3.642 20 10 GHCDHN Cc1oc2ccccc2c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001308218068 1049916220 /nfs/dbraw/zinc/91/62/20/1049916220.db2.gz QXYQXFHWLQVEPD-GOSISDBHSA-N 0 3 377.488 3.733 20 10 GHCDHN COc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1Cn1cccn1 ZINC001308228295 1049919749 /nfs/dbraw/zinc/91/97/49/1049919749.db2.gz LEMGNFHKGHWUDM-GOTSBHOMSA-N 0 3 377.488 3.950 20 10 GHCDHN COc1cc(CN[C@H](C)C(=O)NCCc2ccccc2)c(O)c(C(C)(C)C)c1 ZINC001308427341 1049973325 /nfs/dbraw/zinc/97/33/25/1049973325.db2.gz ZCHHBCGJCGYXAT-MRXNPFEDSA-N 0 3 384.520 3.535 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cc4ccccc4nc3OC)CC2)cc1 ZINC001308579689 1050017584 /nfs/dbraw/zinc/01/75/84/1050017584.db2.gz GCVQRAAGBKIXOQ-UHFFFAOYSA-N 0 3 377.488 3.964 20 10 GHCDHN COc1ccc(C[C@@H](C)CN2CCN(c3ccc(OC)c(F)c3)CC2)cc1F ZINC001308580047 1050017873 /nfs/dbraw/zinc/01/78/73/1050017873.db2.gz KBXCFFGRUOBVEC-MRXNPFEDSA-N 0 3 390.474 3.983 20 10 GHCDHN CN(C)C(=O)O[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001308774991 1050089934 /nfs/dbraw/zinc/08/99/34/1050089934.db2.gz XMHZGPMTCMQNKI-HXUWFJFHSA-N 0 3 384.476 3.634 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC001308945754 1050206055 /nfs/dbraw/zinc/20/60/55/1050206055.db2.gz QNIOAJLGOCIUPP-IUODEOHRSA-N 0 3 399.329 3.808 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cc(F)ccc3OC(F)F)cc2F)CC1 ZINC001328158655 1050415920 /nfs/dbraw/zinc/41/59/20/1050415920.db2.gz QLSLKLQROKGMAL-UHFFFAOYSA-N 0 3 397.416 3.608 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cc3ccccc3o2)N(C)C)cc1 ZINC001311518984 1052216375 /nfs/dbraw/zinc/21/63/75/1052216375.db2.gz DZWSMQZQDWHGDI-FQEVSTJZSA-N 0 3 380.492 3.601 20 10 GHCDHN CCS[C@@H]1CCC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001312186906 1052625284 /nfs/dbraw/zinc/62/52/84/1052625284.db2.gz VIQFNTGDBJMTAP-MISYRCLQSA-N 0 3 392.613 3.719 20 10 GHCDHN CC(C)Cc1ccc([C@@H](CNC(=O)NCc2c(O)cccc2F)N(C)C)cc1 ZINC001312816876 1052880636 /nfs/dbraw/zinc/88/06/36/1052880636.db2.gz FLIVQMJWLAJTQN-HXUWFJFHSA-N 0 3 387.499 3.832 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)c1[O-] ZINC000848526429 1057148964 /nfs/dbraw/zinc/14/89/64/1057148964.db2.gz XBJSSJPJYBMPJV-FZMZJTMJSA-N 0 3 378.266 3.818 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1[O-] ZINC000848526889 1057150079 /nfs/dbraw/zinc/15/00/79/1057150079.db2.gz LIAIBMWTNVUKGI-SNVBAGLBSA-N 0 3 384.245 3.646 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1[O-] ZINC000848527211 1057150169 /nfs/dbraw/zinc/15/01/69/1057150169.db2.gz VDLDRPPWVUBDLZ-BONVTDFDSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1[O-] ZINC000848531409 1057152697 /nfs/dbraw/zinc/15/26/97/1057152697.db2.gz QWJMMGGDGXGOJA-WBMJQRKESA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CSCCS2)c1[O-] ZINC000848531985 1057153407 /nfs/dbraw/zinc/15/34/07/1057153407.db2.gz WSXLKNDICMDMKO-GXSJLCMTSA-N 0 3 378.357 3.663 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000848536150 1057157923 /nfs/dbraw/zinc/15/79/23/1057157923.db2.gz LKIUCSQXFXCRAU-ABAIWWIYSA-N 0 3 398.272 3.557 20 10 GHCDHN Cc1ncncc1[C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000848539753 1057161522 /nfs/dbraw/zinc/16/15/22/1057161522.db2.gz MWEQWDWUVNSUOB-YWZLYKJASA-N 0 3 399.539 3.768 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000848553696 1057175673 /nfs/dbraw/zinc/17/56/73/1057175673.db2.gz OZPUJMSJIUNBKB-YPMHNXCESA-N 0 3 398.272 3.729 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)CC(C)(C)O4)c2)CC1 ZINC001435978049 1063055942 /nfs/dbraw/zinc/05/59/42/1063055942.db2.gz YHHYTYIZHWVDFQ-UHFFFAOYSA-N 0 3 379.504 3.794 20 10 GHCDHN COc1cc(N2CCN(CC/C=C\c3ccccc3)CC2)cc(OC)c1OC ZINC001459919816 1064273540 /nfs/dbraw/zinc/27/35/40/1064273540.db2.gz OUTSXVYXHQWVEB-XFFZJAGNSA-N 0 3 382.504 3.938 20 10 GHCDHN COC[C@H](NCc1ccc(OC)c(OC)c1O)c1cccc(C(F)(F)F)c1 ZINC001351999152 1064756024 /nfs/dbraw/zinc/75/60/24/1064756024.db2.gz WBLCIDXLQPGRON-HNNXBMFYSA-N 0 3 385.382 3.906 20 10 GHCDHN CC[NH+](CC)CCOc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001200071971 1065129759 /nfs/dbraw/zinc/12/97/59/1065129759.db2.gz ZQPPRHNBNGCPIY-UHFFFAOYSA-N 0 3 375.444 3.574 20 10 GHCDHN CC(C)[C@@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469829467 1068413761 /nfs/dbraw/zinc/41/37/61/1068413761.db2.gz NVSBWTQLGQVJQP-IAGOWNOFSA-N 0 3 388.478 3.632 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc1 ZINC001469854572 1068429671 /nfs/dbraw/zinc/42/96/71/1068429671.db2.gz SOVJAUHBLRXTMM-WIYYLYMNSA-N 0 3 380.536 3.696 20 10 GHCDHN CCN(C)c1ccc(CN2CCC(Cc3ncc(C(=O)OC)s3)CC2)cc1 ZINC001460706481 1069105466 /nfs/dbraw/zinc/10/54/66/1069105466.db2.gz XRDPCHBSVDZOFN-UHFFFAOYSA-N 0 3 387.549 3.841 20 10 GHCDHN Cc1cccc(C[C@]2(C)CCCN2CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001473686313 1074086545 /nfs/dbraw/zinc/08/65/45/1074086545.db2.gz BPWIJEVUYFPFEU-DEOSSOPVSA-N 0 3 379.548 3.774 20 10 GHCDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](C)c1ccccc1O ZINC001473722668 1074107056 /nfs/dbraw/zinc/10/70/56/1074107056.db2.gz LJHMBAYDJBSYMZ-GFCCVEGCSA-N 0 3 376.478 3.537 20 10 GHCDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001473722668 1074107061 /nfs/dbraw/zinc/10/70/61/1074107061.db2.gz LJHMBAYDJBSYMZ-GFCCVEGCSA-N 0 3 376.478 3.537 20 10 GHCDHN CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001473785423 1074141354 /nfs/dbraw/zinc/14/13/54/1074141354.db2.gz CNACFHZQXXTYBR-MRXNPFEDSA-N 0 3 380.460 3.565 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(C)CCC(F)(F)CC2)N(C)C)cc1 ZINC001479534171 1079223921 /nfs/dbraw/zinc/22/39/21/1079223921.db2.gz LLKSYXHQASRJKN-KRWDZBQOSA-N 0 3 382.499 3.623 20 10 GHCDHN COC(=O)c1c(CN2CCCCC[C@@H]2C[C@H](C)O)c2cc(F)ccc2n1C ZINC001474514680 1074442718 /nfs/dbraw/zinc/44/27/18/1074442718.db2.gz DETYMXGJOOKUBF-GOEBONIOSA-N 0 3 376.472 3.620 20 10 GHCDHN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1C ZINC001659388752 1126263151 /nfs/dbraw/zinc/26/31/51/1126263151.db2.gz GAKMHSSRMWKHMX-SFHVURJKSA-N 0 3 378.310 3.773 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000826202207 608286894 /nfs/dbraw/zinc/28/68/94/608286894.db2.gz RNCLEYNZCQSZPT-MRXNPFEDSA-N 0 3 392.507 3.716 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000826202207 608286896 /nfs/dbraw/zinc/28/68/96/608286896.db2.gz RNCLEYNZCQSZPT-MRXNPFEDSA-N 0 3 392.507 3.716 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2sccc2Br)N(C)C)cc1 ZINC000891251594 839338231 /nfs/dbraw/zinc/33/82/31/839338231.db2.gz BYTYISWMEYAPQD-OAHLLOKOSA-N 0 3 396.354 3.609 20 10 GHCDHN C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000124804034 841016689 /nfs/dbraw/zinc/01/66/89/841016689.db2.gz KHQJAKGZGXVBTI-VLIAUNLRSA-N 0 3 378.875 3.700 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000398840925 842005680 /nfs/dbraw/zinc/00/56/80/842005680.db2.gz OVUUSPDPWVNDJD-OAHLLOKOSA-N 0 3 388.892 3.625 20 10 GHCDHN Fc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1N1CCOCC1 ZINC000066990402 842674489 /nfs/dbraw/zinc/67/44/89/842674489.db2.gz AMZPUXQABWGCDD-QHCPKHFHSA-N 0 3 398.478 3.674 20 10 GHCDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255546785 848295223 /nfs/dbraw/zinc/29/52/23/848295223.db2.gz NJVKHWJYYQGKPL-IBGZPJMESA-N 0 3 379.464 3.641 20 10 GHCDHN COC(=O)c1sccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000731846369 861906462 /nfs/dbraw/zinc/90/64/62/861906462.db2.gz XAOOMNIMFWXLNK-UHFFFAOYSA-N 0 3 388.489 3.624 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC(F)F)cc3F)c2)CC1 ZINC001269786488 851162085 /nfs/dbraw/zinc/16/20/85/851162085.db2.gz GTXRCYPOAFPUJI-UHFFFAOYSA-N 0 3 393.409 3.821 20 10 GHCDHN CCOc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c(O)c1 ZINC000765811517 855020513 /nfs/dbraw/zinc/02/05/13/855020513.db2.gz YTEHEODNUSKDLD-NHCUHLMSSA-N 0 3 390.911 3.606 20 10 GHCDHN Cc1cccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 ZINC000139818607 856089756 /nfs/dbraw/zinc/08/97/56/856089756.db2.gz REIOTJWCQSYQPH-UHFFFAOYSA-N 0 3 391.494 3.541 20 10 GHCDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000281235489 862916196 /nfs/dbraw/zinc/91/61/96/862916196.db2.gz MTANTATWBNCMDA-QFIPXVFZSA-N 0 3 384.495 3.820 20 10 GHCDHN COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761191066 859036405 /nfs/dbraw/zinc/03/64/05/859036405.db2.gz KOJWBNIRWDBKPF-AWEZNQCLSA-N 0 3 377.868 3.866 20 10 GHCDHN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761191066 859036415 /nfs/dbraw/zinc/03/64/15/859036415.db2.gz KOJWBNIRWDBKPF-AWEZNQCLSA-N 0 3 377.868 3.866 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCOc4ccc(F)cc43)cc2)C1 ZINC000765241899 859860598 /nfs/dbraw/zinc/86/05/98/859860598.db2.gz GSXKSXLHSQUSGX-LAUBAEHRSA-N 0 3 397.494 3.531 20 10 GHCDHN COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765260366 859870695 /nfs/dbraw/zinc/87/06/95/859870695.db2.gz FYCXPFCOOJJDFC-MGPUTAFESA-N 0 3 390.911 3.569 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cnc2ccsc2c1 ZINC000765257129 859874547 /nfs/dbraw/zinc/87/45/47/859874547.db2.gz WPGSBZHSVMTZOP-RDJZCZTQSA-N 0 3 394.544 3.849 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2ccccc2o1 ZINC000765257199 859875251 /nfs/dbraw/zinc/87/52/51/859875251.db2.gz XSVUOBVHZXJVAT-VQIMIIECSA-N 0 3 377.488 3.985 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cccc(C(=O)NCC(C)C)c3)CC2)cc1 ZINC000727434654 860076571 /nfs/dbraw/zinc/07/65/71/860076571.db2.gz OABYSAHRYJYCFD-UHFFFAOYSA-N 0 3 395.547 3.793 20 10 GHCDHN Cc1cc(Br)c([O-])c(CN[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000922628843 860355944 /nfs/dbraw/zinc/35/59/44/860355944.db2.gz UWTBOAPFJPWYLW-KRWDZBQOSA-N 0 3 378.314 3.641 20 10 GHCDHN COc1ccc([C@H](CO)N(C)Cc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000792822874 881711508 /nfs/dbraw/zinc/71/15/08/881711508.db2.gz NXSXTLPXIQTNMH-IBGZPJMESA-N 0 3 382.426 3.945 20 10 GHCDHN COC(=O)COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000734510806 864268955 /nfs/dbraw/zinc/26/89/55/864268955.db2.gz SZHNTTOXJNVJRT-UHFFFAOYSA-N 0 3 377.440 3.901 20 10 GHCDHN CC[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)N1CCc2ccccc2C1 ZINC000734522156 864274468 /nfs/dbraw/zinc/27/44/68/864274468.db2.gz XTWUQTFWEKELPX-JOCHJYFZSA-N 0 3 394.563 3.697 20 10 GHCDHN Cc1ccccc1CN1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000734686817 864383202 /nfs/dbraw/zinc/38/32/02/864383202.db2.gz VUTVHBZKPFHPGU-UHFFFAOYSA-N 0 3 394.563 3.787 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000734688076 864384014 /nfs/dbraw/zinc/38/40/14/864384014.db2.gz GDCVZUHGAGHMQH-UHFFFAOYSA-N 0 3 396.579 3.767 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(-n3ccnc3)nc2)c(C(F)(F)F)c1 ZINC000792908997 881796959 /nfs/dbraw/zinc/79/69/59/881796959.db2.gz QAIVXYIXXZFWOJ-UHFFFAOYSA-N 0 3 375.398 3.642 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000067505285 864872100 /nfs/dbraw/zinc/87/21/00/864872100.db2.gz UPRXAFFYBOTUGJ-QGZVFWFLSA-N 0 3 387.549 3.899 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184920802 865046738 /nfs/dbraw/zinc/04/67/38/865046738.db2.gz XRRHNIOPEZIOID-UHFFFAOYSA-N 0 3 396.535 3.978 20 10 GHCDHN c1ccc(OCc2ccncc2)c(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000920180855 881861161 /nfs/dbraw/zinc/86/11/61/881861161.db2.gz LEIQLIJMMUDUJE-UHFFFAOYSA-N 0 3 389.499 3.787 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793297826 882075012 /nfs/dbraw/zinc/07/50/12/882075012.db2.gz RKBAJBLUBSJYDL-GOSISDBHSA-N 0 3 384.476 3.539 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793297826 882075030 /nfs/dbraw/zinc/07/50/30/882075030.db2.gz RKBAJBLUBSJYDL-GOSISDBHSA-N 0 3 384.476 3.539 20 10 GHCDHN CC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@]2(CCOC2)O1 ZINC000793361718 882126019 /nfs/dbraw/zinc/12/60/19/882126019.db2.gz PDXFGQQFZCZFJI-NFBKMPQASA-N 0 3 383.488 3.741 20 10 GHCDHN [O-]c1ccc2ccncc2c1C[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000021969683 869201659 /nfs/dbraw/zinc/20/16/59/869201659.db2.gz XGGOXJXGLXNISV-UHFFFAOYSA-N 0 3 397.906 3.790 20 10 GHCDHN CC(C)(C)c1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000793583754 882287924 /nfs/dbraw/zinc/28/79/24/882287924.db2.gz HSPMGOZVCJQUCP-SFHVURJKSA-N 0 3 388.943 3.887 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000793606770 882316824 /nfs/dbraw/zinc/31/68/24/882316824.db2.gz XXKROSUACMSRQY-FQEVSTJZSA-N 0 3 396.915 3.887 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000793606770 882316843 /nfs/dbraw/zinc/31/68/43/882316843.db2.gz XXKROSUACMSRQY-FQEVSTJZSA-N 0 3 396.915 3.887 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000793606770 882316863 /nfs/dbraw/zinc/31/68/63/882316863.db2.gz XXKROSUACMSRQY-FQEVSTJZSA-N 0 3 396.915 3.887 20 10 GHCDHN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC000793626088 882340501 /nfs/dbraw/zinc/34/05/01/882340501.db2.gz LSCISYKFBBVAGY-GOSISDBHSA-N 0 3 393.325 3.864 20 10 GHCDHN CCc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920870886 882427949 /nfs/dbraw/zinc/42/79/49/882427949.db2.gz UGLIVAFFQKEDJD-ROUUACIJSA-N 0 3 381.520 3.763 20 10 GHCDHN Oc1cc2c(cc1CN1CCC(c3nc(-c4ccccc4)no3)CC1)OCO2 ZINC000103462339 872018981 /nfs/dbraw/zinc/01/89/81/872018981.db2.gz CQAWCEKBHGHREB-UHFFFAOYSA-N 0 3 379.416 3.551 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000182352578 872253791 /nfs/dbraw/zinc/25/37/91/872253791.db2.gz SBIHRNIMHMMSBE-INIZCTEOSA-N 0 3 383.492 3.680 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC)c1cccc(Cl)c1)cc2=O ZINC000182591263 872587018 /nfs/dbraw/zinc/58/70/18/872587018.db2.gz VAMOTAKPSLGGMF-INIZCTEOSA-N 0 3 388.855 3.506 20 10 GHCDHN CCN(CC)c1ccc(CN(C)Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000768207423 873144324 /nfs/dbraw/zinc/14/43/24/873144324.db2.gz IKCVNPOGYDISCE-UHFFFAOYSA-N 0 3 375.538 3.536 20 10 GHCDHN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001197002940 873523049 /nfs/dbraw/zinc/52/30/49/873523049.db2.gz DJNSZXJGJVZVSI-SNVBAGLBSA-N 0 3 397.258 3.775 20 10 GHCDHN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@H](C)c1ccccc1O ZINC001197002940 873523055 /nfs/dbraw/zinc/52/30/55/873523055.db2.gz DJNSZXJGJVZVSI-SNVBAGLBSA-N 0 3 397.258 3.775 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cnc(-c4ccncc4)s3)CC2)cc1 ZINC000768997529 873762660 /nfs/dbraw/zinc/76/26/60/873762660.db2.gz GOSOIOJBHOOTOV-UHFFFAOYSA-N 0 3 380.517 3.926 20 10 GHCDHN CCOC(=O)CCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000769122626 873823932 /nfs/dbraw/zinc/82/39/32/873823932.db2.gz QQBAPUJDDSIOTF-UHFFFAOYSA-N 0 3 375.469 3.503 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1F ZINC000769456364 874082671 /nfs/dbraw/zinc/08/26/71/874082671.db2.gz JZVIMIZHAWKCJE-UHFFFAOYSA-N 0 3 375.532 3.896 20 10 GHCDHN O=C1C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1c1c(F)cccc1F ZINC000770751522 874863864 /nfs/dbraw/zinc/86/38/64/874863864.db2.gz XZMFOPOZEYFJSN-KRWDZBQOSA-N 0 3 385.458 3.850 20 10 GHCDHN CN1CCN(c2ccc(CNCc3cc(F)ccc3Br)cc2)CC1 ZINC000771824146 875497171 /nfs/dbraw/zinc/49/71/71/875497171.db2.gz LLYCAXVWRVSFBJ-UHFFFAOYSA-N 0 3 392.316 3.630 20 10 GHCDHN COc1ccc(O)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000776174806 875691493 /nfs/dbraw/zinc/69/14/93/875691493.db2.gz AXJSIVDGGRJIMC-QGZVFWFLSA-N 0 3 376.884 3.514 20 10 GHCDHN COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000776175467 875693089 /nfs/dbraw/zinc/69/30/89/875693089.db2.gz MKZXWZYOKDUFJY-LJQANCHMSA-N 0 3 388.895 3.586 20 10 GHCDHN Cc1ncc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 ZINC001201749866 875840986 /nfs/dbraw/zinc/84/09/86/875840986.db2.gz BNGJPOVNEKEDNS-GOSISDBHSA-N 0 3 390.553 3.873 20 10 GHCDHN COc1ccc(CNCc2ccc(-c3nc(C)no3)cc2)cc1Cn1cccn1 ZINC001201900390 875915420 /nfs/dbraw/zinc/91/54/20/875915420.db2.gz FJDHRBHJHCZJJP-UHFFFAOYSA-N 0 3 389.459 3.588 20 10 GHCDHN C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000776239201 875999151 /nfs/dbraw/zinc/99/91/51/875999151.db2.gz RWMLZKBTYCISRC-QGZVFWFLSA-N 0 3 384.524 3.713 20 10 GHCDHN COc1ccc2c(c1)nccc2NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000786071150 876413985 /nfs/dbraw/zinc/41/39/85/876413985.db2.gz DOFNCKPYLQMQFU-UHFFFAOYSA-N 0 3 390.487 3.524 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccccc3N3CCCCC3)cc2)CC1 ZINC000850404830 876885630 /nfs/dbraw/zinc/88/56/30/876885630.db2.gz FBWWAYHPYPATLB-UHFFFAOYSA-N 0 3 379.548 3.928 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cc4cnccc4o3)cc2F)CC1 ZINC000850433583 876916765 /nfs/dbraw/zinc/91/67/65/876916765.db2.gz NZTJWNKJCQHSIW-INIZCTEOSA-N 0 3 382.483 3.960 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850500504 876975458 /nfs/dbraw/zinc/97/54/58/876975458.db2.gz HIIDMVRTQGSEEJ-MLGOLLRUSA-N 0 3 389.293 3.701 20 10 GHCDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000850503812 876978091 /nfs/dbraw/zinc/97/80/91/876978091.db2.gz YZHQIYYMYXHBJX-IARIHHJXSA-N 0 3 386.330 3.680 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000850531441 877001802 /nfs/dbraw/zinc/00/18/02/877001802.db2.gz DXIGZFWPQTUTIH-ZBINZKHDSA-N 0 3 376.241 3.928 20 10 GHCDHN C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858453649 883110841 /nfs/dbraw/zinc/11/08/41/883110841.db2.gz NXOPMUZWHSMFLB-JXFKEZNVSA-N 0 3 386.923 3.969 20 10 GHCDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000746740037 877989615 /nfs/dbraw/zinc/98/96/15/877989615.db2.gz GKVZKBHCIPGEPG-IBGZPJMESA-N 0 3 380.536 3.559 20 10 GHCDHN O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000176493668 879935433 /nfs/dbraw/zinc/93/54/33/879935433.db2.gz LKQSGPZBGXWZJV-UHFFFAOYSA-N 0 3 392.474 3.962 20 10 GHCDHN O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000176493668 879935443 /nfs/dbraw/zinc/93/54/43/879935443.db2.gz LKQSGPZBGXWZJV-UHFFFAOYSA-N 0 3 392.474 3.962 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN4CCC3CC4)cc2Cl)C1 ZINC000790852221 880021090 /nfs/dbraw/zinc/02/10/90/880021090.db2.gz IPPVEGBOXXLFGQ-MRXNPFEDSA-N 0 3 390.959 3.566 20 10 GHCDHN COC(=O)c1csc(-c2cccc(CNCc3ccc4c(c3)CCO4)c2)n1 ZINC000790995539 880123409 /nfs/dbraw/zinc/12/34/09/880123409.db2.gz QPXOCAKHFNVCEV-UHFFFAOYSA-N 0 3 380.469 3.821 20 10 GHCDHN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](c1ccccc1)N(C)C ZINC000806634463 884887338 /nfs/dbraw/zinc/88/73/38/884887338.db2.gz HVOBVMMXCXCDQU-VGSWGCGISA-N 0 3 380.536 3.560 20 10 GHCDHN C[C@H](NC(=O)NCCCSc1nccs1)[C@@H](c1ccccc1)N(C)C ZINC000806959603 885115763 /nfs/dbraw/zinc/11/57/63/885115763.db2.gz YQSIGIJMERXIME-HOCLYGCPSA-N 0 3 378.567 3.616 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1[O-] ZINC000808675582 886670564 /nfs/dbraw/zinc/67/05/64/886670564.db2.gz LXOWIXRTXZYTRD-AWEZNQCLSA-N 0 3 393.915 3.649 20 10 GHCDHN COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)cc(C)c3[O-])C2=O)cc1 ZINC000808707545 886687309 /nfs/dbraw/zinc/68/73/09/886687309.db2.gz RQZBQVWEIGOZPH-LIRRHRJNSA-N 0 3 388.895 3.814 20 10 GHCDHN COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)cc(C)c3[O-])C2=O)cc1 ZINC000808707542 886687490 /nfs/dbraw/zinc/68/74/90/886687490.db2.gz RQZBQVWEIGOZPH-AUUYWEPGSA-N 0 3 388.895 3.814 20 10 GHCDHN C[C@@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000808730513 886743884 /nfs/dbraw/zinc/74/38/84/886743884.db2.gz XAJAHBMLQSJQJF-RHSMWYFYSA-N 0 3 390.886 3.970 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)OC(F)(F)O2)c1ccc(N2CCOCC2)cc1 ZINC000795975814 913117878 /nfs/dbraw/zinc/11/78/78/913117878.db2.gz OIRAFBOZZOYEIP-AWEZNQCLSA-N 0 3 376.403 3.696 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000794793424 888075210 /nfs/dbraw/zinc/07/52/10/888075210.db2.gz BEUNGOYGWZEBMS-QGZVFWFLSA-N 0 3 389.565 3.648 20 10 GHCDHN CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H]4CN(C)C[C@H]43)c2C)c1 ZINC000794947677 889019398 /nfs/dbraw/zinc/01/93/98/889019398.db2.gz BSBXIZSXIIEBQQ-DYESRHJHSA-N 0 3 383.561 3.635 20 10 GHCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1O ZINC000795099953 890244529 /nfs/dbraw/zinc/24/45/29/890244529.db2.gz NFAKGNDTBJKYKN-KDOFPFPSSA-N 0 3 392.471 3.565 20 10 GHCDHN COc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1Cn1cccn1 ZINC000873014712 891428297 /nfs/dbraw/zinc/42/82/97/891428297.db2.gz UAHAYRJJRUZBIO-UHFFFAOYSA-N 0 3 391.519 3.615 20 10 GHCDHN CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCC1 ZINC001137082256 892300173 /nfs/dbraw/zinc/30/01/73/892300173.db2.gz UGDOSTQBZJCQPH-MRXNPFEDSA-N 0 3 395.494 3.638 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2csc(-c3ccccc3)n2)N(C)C)cc1 ZINC001134681946 893218195 /nfs/dbraw/zinc/21/81/95/893218195.db2.gz OCRZNUGSJUMHGL-FQEVSTJZSA-N 0 3 394.544 3.909 20 10 GHCDHN Cc1cccc(OCCCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001134682049 893218866 /nfs/dbraw/zinc/21/88/66/893218866.db2.gz QZPVPCQXUKJULL-JOCHJYFZSA-N 0 3 383.536 3.639 20 10 GHCDHN OC1CCN(c2ccc(CN[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)CC1 ZINC000876979158 893419361 /nfs/dbraw/zinc/41/93/61/893419361.db2.gz VUISKHGXGPCGCO-XZOQPEGZSA-N 0 3 384.495 3.797 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)N(C)C)cc1 ZINC001134881834 893503502 /nfs/dbraw/zinc/50/35/02/893503502.db2.gz IFKUCGJYJITCAA-HBMCJLEFSA-N 0 3 385.939 3.929 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)N(C)C)cc1 ZINC001134882023 893504360 /nfs/dbraw/zinc/50/43/60/893504360.db2.gz KIAPQWNSOVQQPP-RTWAWAEBSA-N 0 3 395.547 3.816 20 10 GHCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000815150103 893522181 /nfs/dbraw/zinc/52/21/81/893522181.db2.gz NSJNXCJZUNGDHY-INIZCTEOSA-N 0 3 398.457 3.838 20 10 GHCDHN OC1CCN(c2ccc(CN3CCC(Oc4ccccc4F)CC3)cc2)CC1 ZINC000877676230 893756616 /nfs/dbraw/zinc/75/66/16/893756616.db2.gz ZHHXQJAUVWDJHS-UHFFFAOYSA-N 0 3 384.495 3.830 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651323 895202710 /nfs/dbraw/zinc/20/27/10/895202710.db2.gz RFINJIBNSXDIRT-HOCLYGCPSA-N 0 3 378.476 3.873 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651136 895202835 /nfs/dbraw/zinc/20/28/35/895202835.db2.gz JRXASMSNSFONES-HNNXBMFYSA-N 0 3 378.476 3.874 20 10 GHCDHN C[C@H]([NH2+]CC(=O)NCc1cccc(COCc2ccco2)c1)c1ccccc1[O-] ZINC000879651131 895203038 /nfs/dbraw/zinc/20/30/38/895203038.db2.gz JLLXSGDLEHHSEE-KRWDZBQOSA-N 0 3 394.471 3.669 20 10 GHCDHN C[C@H]1CN(c2ccc(CNCc3cccc4c3CCOC4)cc2F)C[C@H](C)O1 ZINC000882903418 897087207 /nfs/dbraw/zinc/08/72/07/897087207.db2.gz CBVPZKGODPAYLX-IRXDYDNUSA-N 0 3 384.495 3.802 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNCc3cccc4c3CCOC4)cc2F)C[C@H](C)O1 ZINC000882903416 897087235 /nfs/dbraw/zinc/08/72/35/897087235.db2.gz CBVPZKGODPAYLX-CALCHBBNSA-N 0 3 384.495 3.802 20 10 GHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000805746299 897292886 /nfs/dbraw/zinc/29/28/86/897292886.db2.gz VHYLWPHVQCUCPD-UXHICEINSA-N 0 3 375.896 3.630 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000805746299 897292903 /nfs/dbraw/zinc/29/29/03/897292903.db2.gz VHYLWPHVQCUCPD-UXHICEINSA-N 0 3 375.896 3.630 20 10 GHCDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820521076 897367909 /nfs/dbraw/zinc/36/79/09/897367909.db2.gz RGSJYRYHQGANRV-MRXNPFEDSA-N 0 3 379.464 3.586 20 10 GHCDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823014363 898771087 /nfs/dbraw/zinc/77/10/87/898771087.db2.gz OQZNMOIFLPCWBE-IEBWSBKVSA-N 0 3 377.448 3.606 20 10 GHCDHN OCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000824673179 899756919 /nfs/dbraw/zinc/75/69/19/899756919.db2.gz OTCRXAZIQSGMNZ-FQEVSTJZSA-N 0 3 394.437 3.755 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824961050 899908770 /nfs/dbraw/zinc/90/87/70/899908770.db2.gz AOBVODUOXPCSDV-KRWDZBQOSA-N 0 3 376.508 3.954 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124184 899994057 /nfs/dbraw/zinc/99/40/57/899994057.db2.gz JSNZQHKOPFLFGE-LPHOPBHVSA-N 0 3 381.394 3.716 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124184 899994063 /nfs/dbraw/zinc/99/40/63/899994063.db2.gz JSNZQHKOPFLFGE-LPHOPBHVSA-N 0 3 381.394 3.716 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cnc2ccsc2c1 ZINC000886747408 901252741 /nfs/dbraw/zinc/25/27/41/901252741.db2.gz SNSJPVUTCJJZQY-OAHLLOKOSA-N 0 3 394.544 3.849 20 10 GHCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1O ZINC000846163284 902735246 /nfs/dbraw/zinc/73/52/46/902735246.db2.gz HDSMQSRQKQDMDL-DOMZBBRYSA-N 0 3 394.393 3.876 20 10 GHCDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846169173 902739994 /nfs/dbraw/zinc/73/99/94/902739994.db2.gz PSNUVCLPGAAPME-LBPRGKRZSA-N 0 3 383.897 3.699 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1[O-] ZINC000779010524 902777523 /nfs/dbraw/zinc/77/75/23/902777523.db2.gz DDDKFIKHWHLQEE-ZDUSSCGKSA-N 0 3 398.322 3.588 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)NCCS(=O)(=O)c2ccccc2)c1O ZINC000779010524 902777530 /nfs/dbraw/zinc/77/75/30/902777530.db2.gz DDDKFIKHWHLQEE-ZDUSSCGKSA-N 0 3 398.322 3.588 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000103604249 903885799 /nfs/dbraw/zinc/88/57/99/903885799.db2.gz MBJMZUJVPIOIHR-OXQOHEQNSA-N 0 3 383.492 3.598 20 10 GHCDHN CCOc1ccc(O)c(CNC2(c3cccc(OC)c3F)CCOCC2)c1 ZINC000775049586 914800398 /nfs/dbraw/zinc/80/03/98/914800398.db2.gz ZUQOBKJEGUSLDN-UHFFFAOYSA-N 0 3 375.440 3.734 20 10 GHCDHN COc1ccc(NC(=O)C2(NCc3ccc(N(C)C)cc3)CCCC2)cc1OC ZINC000779178326 905175160 /nfs/dbraw/zinc/17/51/60/905175160.db2.gz NMVDJMYEVAODMV-UHFFFAOYSA-N 0 3 397.519 3.811 20 10 GHCDHN C[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000185276040 907745099 /nfs/dbraw/zinc/74/50/99/907745099.db2.gz MTEADEMEUQVHKG-GOSISDBHSA-N 0 3 398.526 3.898 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)c(C(F)(F)F)c1 ZINC001180708821 910320165 /nfs/dbraw/zinc/32/01/65/910320165.db2.gz ZSPPEQNKQRVKJK-OAHLLOKOSA-N 0 3 383.458 3.795 20 10 GHCDHN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774478551 911784448 /nfs/dbraw/zinc/78/44/48/911784448.db2.gz HELZEDIMUWVUEU-JKSUJKDBSA-N 0 3 387.499 3.598 20 10 GHCDHN CN(C)C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1 ZINC000802063006 921794939 /nfs/dbraw/zinc/79/49/39/921794939.db2.gz QNCHDZBMABSODN-GOSISDBHSA-N 0 3 392.906 3.647 20 10 GHCDHN COC1CCN(c2ccc(CN[C@@H](C)c3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000294996747 917087141 /nfs/dbraw/zinc/08/71/41/917087141.db2.gz NTMKMUFAWGAWLU-SOKVYYICSA-N 0 3 386.561 3.890 20 10 GHCDHN C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCCC1 ZINC000114272101 919386956 /nfs/dbraw/zinc/38/69/56/919386956.db2.gz ZRJWXXPKISBIPM-INIZCTEOSA-N 0 3 395.494 3.638 20 10 GHCDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900684565 920516853 /nfs/dbraw/zinc/51/68/53/920516853.db2.gz CEITZBSRQLTIKB-UHFFFAOYSA-N 0 3 386.473 3.642 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000802657201 922316498 /nfs/dbraw/zinc/31/64/98/922316498.db2.gz YBBSIVANYQRANO-HXUWFJFHSA-N 0 3 390.321 3.989 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000802657201 922316518 /nfs/dbraw/zinc/31/65/18/922316518.db2.gz YBBSIVANYQRANO-HXUWFJFHSA-N 0 3 390.321 3.989 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c2c1c(F)ccc2[O-] ZINC000903425373 923015931 /nfs/dbraw/zinc/01/59/31/923015931.db2.gz BWEQHXNGOFXXOP-SJCJKPOMSA-N 0 3 390.480 3.774 20 10 GHCDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1(C)C ZINC000827821348 926055741 /nfs/dbraw/zinc/05/57/41/926055741.db2.gz WCEVWHZRNUWUMG-REWPJTCUSA-N 0 3 387.568 3.604 20 10 GHCDHN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000753531901 929392499 /nfs/dbraw/zinc/39/24/99/929392499.db2.gz SDBOBIZPBMAIDS-NRFANRHFSA-N 0 3 382.504 3.804 20 10 GHCDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753531901 929392510 /nfs/dbraw/zinc/39/25/10/929392510.db2.gz SDBOBIZPBMAIDS-NRFANRHFSA-N 0 3 382.504 3.804 20 10 GHCDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753531901 929392517 /nfs/dbraw/zinc/39/25/17/929392517.db2.gz SDBOBIZPBMAIDS-NRFANRHFSA-N 0 3 382.504 3.804 20 10 GHCDHN Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)cn1 ZINC000753544531 929403760 /nfs/dbraw/zinc/40/37/60/929403760.db2.gz NMQXGTVAFBIYAK-LJQANCHMSA-N 0 3 377.488 3.769 20 10 GHCDHN Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)cn1 ZINC000753544531 929403767 /nfs/dbraw/zinc/40/37/67/929403767.db2.gz NMQXGTVAFBIYAK-LJQANCHMSA-N 0 3 377.488 3.769 20 10 GHCDHN CN1CC[NH+](CC2(C)CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000757962599 929871913 /nfs/dbraw/zinc/87/19/13/929871913.db2.gz AMBCNAQOOWXUIM-UHFFFAOYSA-N 0 3 386.367 3.549 20 10 GHCDHN COc1cccc(C[C@H](C)[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000783507881 931567403 /nfs/dbraw/zinc/56/74/03/931567403.db2.gz BYPXHQPLZAILJG-KXBFYZLASA-N 0 3 389.927 3.634 20 10 GHCDHN COc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000797418489 932276787 /nfs/dbraw/zinc/27/67/87/932276787.db2.gz SXTDECYXHVWEBB-PONJGIIJSA-N 0 3 377.525 3.857 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927017003 932382471 /nfs/dbraw/zinc/38/24/71/932382471.db2.gz VIWKTNBWLVWKFH-ZFWWWQNUSA-N 0 3 384.314 3.842 20 10 GHCDHN COC1(c2noc(CC3CC[NH+](Cc4cc(F)ccc4[O-])CC3)n2)CCCC1 ZINC001118676074 934217987 /nfs/dbraw/zinc/21/79/87/934217987.db2.gz YKWRZDOIMOFCAB-UHFFFAOYSA-N 0 3 389.471 3.785 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001220676798 1032057588 /nfs/dbraw/zinc/05/75/88/1032057588.db2.gz FBEXOFCQALEDKX-GCJKJVERSA-N 0 3 382.552 3.594 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(c3ccccc3)CCC2)N(C)C)cc1 ZINC001220890940 1032176191 /nfs/dbraw/zinc/17/61/91/1032176191.db2.gz PLSXQBLCXXNMIL-JOCHJYFZSA-N 0 3 394.563 3.776 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1[O-] ZINC000779009976 1020190876 /nfs/dbraw/zinc/19/08/76/1020190876.db2.gz AAXSBRWJIQVXKK-WFASDCNBSA-N 0 3 398.272 3.693 20 10 GHCDHN O=C(NCCC[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(Br)c1 ZINC000834554972 1021270003 /nfs/dbraw/zinc/27/00/03/1021270003.db2.gz IOXNUWJOGXSIRZ-INIZCTEOSA-N 0 3 389.293 3.552 20 10 GHCDHN CCN1CCN(c2ccc(CN3CCc4c([nH]nc4C(F)(F)F)C3)cc2)CC1 ZINC001140309719 1021371451 /nfs/dbraw/zinc/37/14/51/1021371451.db2.gz RVTQZTDOFNIEJN-LJQANCHMSA-N 0 3 393.457 3.685 20 10 GHCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1C(F)(F)F ZINC000834769714 1021455341 /nfs/dbraw/zinc/45/53/41/1021455341.db2.gz QDGCAWSULNTVPV-GJZGRUSLSA-N 0 3 376.378 3.793 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)CC2 ZINC000834783375 1021469239 /nfs/dbraw/zinc/46/92/39/1021469239.db2.gz HJDILBBBFWRICJ-WMLDXEAASA-N 0 3 376.294 3.583 20 10 GHCDHN Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834904564 1021656512 /nfs/dbraw/zinc/65/65/12/1021656512.db2.gz OOPPYXRFQWAQJI-LSDHHAIUSA-N 0 3 378.310 3.965 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c([O-])c1 ZINC001140950512 1022973020 /nfs/dbraw/zinc/97/30/20/1022973020.db2.gz WRJMZSLPHDPVGS-XMMPIXPASA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c([O-])c1 ZINC001140950512 1022973023 /nfs/dbraw/zinc/97/30/23/1022973023.db2.gz WRJMZSLPHDPVGS-XMMPIXPASA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c([O-])c1 ZINC001140952217 1022979778 /nfs/dbraw/zinc/97/97/78/1022979778.db2.gz IUVYYGWHKYUDSO-XMMPIXPASA-N 0 3 378.516 3.758 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)c([O-])c1 ZINC001140952217 1022979779 /nfs/dbraw/zinc/97/97/79/1022979779.db2.gz IUVYYGWHKYUDSO-XMMPIXPASA-N 0 3 378.516 3.758 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccc(C)cc4[O-])C3)C2)cc1 ZINC001140952460 1022981212 /nfs/dbraw/zinc/98/12/12/1022981212.db2.gz SNCZQXXIIHYKGW-XMMPIXPASA-N 0 3 396.531 3.828 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc(C)cc4[O-])C3)C2)cc1 ZINC001140952460 1022981216 /nfs/dbraw/zinc/98/12/16/1022981216.db2.gz SNCZQXXIIHYKGW-XMMPIXPASA-N 0 3 396.531 3.828 20 10 GHCDHN COc1cc([O-])c(C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)c(OC)c1 ZINC001141026728 1023264925 /nfs/dbraw/zinc/26/49/25/1023264925.db2.gz ATWZHXIWCXUZBI-UHFFFAOYSA-N 0 3 395.459 3.839 20 10 GHCDHN COc1cc(O)c(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)c(OC)c1 ZINC001141026728 1023264934 /nfs/dbraw/zinc/26/49/34/1023264934.db2.gz ATWZHXIWCXUZBI-UHFFFAOYSA-N 0 3 395.459 3.839 20 10 GHCDHN O=C1N(CC2CC2)CCC12CCN(Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141079158 1023444981 /nfs/dbraw/zinc/44/49/81/1023444981.db2.gz VNBLHSRGPAORMK-UHFFFAOYSA-N 0 3 393.575 3.610 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000756859350 1023837411 /nfs/dbraw/zinc/83/74/11/1023837411.db2.gz RBDLPSPEEPHHRH-KRWDZBQOSA-N 0 3 397.519 3.882 20 10 GHCDHN CN1CCCc2cc(CN3CC[C@@H](Oc4cc(C(F)(F)F)ncn4)C3)ccc21 ZINC001138357133 1024721986 /nfs/dbraw/zinc/72/19/86/1024721986.db2.gz BTNOSZCJVGCXGT-MRXNPFEDSA-N 0 3 392.425 3.531 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001138388239 1024763157 /nfs/dbraw/zinc/76/31/57/1024763157.db2.gz UDWUNQPMILSAMO-GHTZIAJQSA-N 0 3 387.568 3.620 20 10 GHCDHN Brc1cc(CN2CC[C@H]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001138676915 1025203331 /nfs/dbraw/zinc/20/33/31/1025203331.db2.gz ZUKKNMHWRBKKPU-IAGOWNOFSA-N 0 3 379.342 3.908 20 10 GHCDHN COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000839183718 1025695318 /nfs/dbraw/zinc/69/53/18/1025695318.db2.gz APRDOTHSERLXAG-OAQYLSRUSA-N 0 3 393.483 3.846 20 10 GHCDHN Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(F)ccc3[O-])O2)cs1 ZINC001140054619 1026833924 /nfs/dbraw/zinc/83/39/24/1026833924.db2.gz TZBFYTZKBZPCSU-NLWGTHIKSA-N 0 3 392.496 3.635 20 10 GHCDHN Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc(F)ccc3[O-])O2)cs1 ZINC001140054619 1026833933 /nfs/dbraw/zinc/83/39/33/1026833933.db2.gz TZBFYTZKBZPCSU-NLWGTHIKSA-N 0 3 392.496 3.635 20 10 GHCDHN Cc1ccc(C)c(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1O ZINC001140180444 1026953566 /nfs/dbraw/zinc/95/35/66/1026953566.db2.gz WUURIVFWSFDPIY-IEIRFRATSA-N 0 3 382.504 3.600 20 10 GHCDHN COCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203555983 1027432548 /nfs/dbraw/zinc/43/25/48/1027432548.db2.gz IFPFWIBVEWSELM-GOSISDBHSA-N 0 3 378.513 3.630 20 10 GHCDHN COCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203555983 1027432552 /nfs/dbraw/zinc/43/25/52/1027432552.db2.gz IFPFWIBVEWSELM-GOSISDBHSA-N 0 3 378.513 3.630 20 10 GHCDHN COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001203623946 1027486580 /nfs/dbraw/zinc/48/65/80/1027486580.db2.gz YZUCHSYCRHIOOA-UHFFFAOYSA-N 0 3 392.499 3.691 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(OC)cc3[O-])CC2)c2ccccc21 ZINC001203629869 1027490213 /nfs/dbraw/zinc/49/02/13/1027490213.db2.gz NDFXBYDTXJVBJU-GOSISDBHSA-N 0 3 394.515 3.558 20 10 GHCDHN CN(C)c1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC001203932116 1027723789 /nfs/dbraw/zinc/72/37/89/1027723789.db2.gz SGZTZBJPSXQJRN-NRFANRHFSA-N 0 3 386.490 3.885 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)CNCCO4)cc2)CC1 ZINC000841328573 1028435632 /nfs/dbraw/zinc/43/56/32/1028435632.db2.gz YRBMGTZCUWRBOD-UHFFFAOYSA-N 0 3 394.519 3.727 20 10 GHCDHN COc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1Cn1cccn1 ZINC001461656739 1069661409 /nfs/dbraw/zinc/66/14/09/1069661409.db2.gz XDUPTUJQVXZTPK-DHIUTWEWSA-N 0 3 379.504 3.788 20 10 GHCDHN [NH3+][C@H](CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccn1)c1ccccc1[O-] ZINC001219253655 1031326656 /nfs/dbraw/zinc/32/66/56/1031326656.db2.gz DQNFDTHKOAREOH-MRXNPFEDSA-N 0 3 395.846 3.700 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2-c2ncco2)N(C)C)cc1 ZINC001219578528 1031509750 /nfs/dbraw/zinc/50/97/50/1031509750.db2.gz IOMLIYJYBPRISI-FQEVSTJZSA-N 0 3 393.491 3.832 20 10 GHCDHN O=C1CCC[C@@]2(CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)N1 ZINC001231467503 1034611967 /nfs/dbraw/zinc/61/19/67/1034611967.db2.gz LRTPKHFCAOUAQC-QHCPKHFHSA-N 0 3 380.488 3.606 20 10 GHCDHN O=C1CCC[C@@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)N1 ZINC001231467503 1034611974 /nfs/dbraw/zinc/61/19/74/1034611974.db2.gz LRTPKHFCAOUAQC-QHCPKHFHSA-N 0 3 380.488 3.606 20 10 GHCDHN NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)cc1 ZINC001231589585 1034744336 /nfs/dbraw/zinc/74/43/36/1034744336.db2.gz LZQRKUNYUHLUNC-IBGZPJMESA-N 0 3 376.456 3.688 20 10 GHCDHN NC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)cc1 ZINC001231589585 1034744344 /nfs/dbraw/zinc/74/43/44/1034744344.db2.gz LZQRKUNYUHLUNC-IBGZPJMESA-N 0 3 376.456 3.688 20 10 GHCDHN COCCOc1ccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC001231591118 1034745942 /nfs/dbraw/zinc/74/59/42/1034745942.db2.gz UIWOTXPJDAKIBJ-UHFFFAOYSA-N 0 3 392.499 3.893 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001231852248 1034942518 /nfs/dbraw/zinc/94/25/18/1034942518.db2.gz SLDCSZNWJDZQAJ-LPHOPBHVSA-N 0 3 389.540 3.593 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccccc1 ZINC001231852781 1034943917 /nfs/dbraw/zinc/94/39/17/1034943917.db2.gz NUYNEYGYBQZIKQ-JOCHJYFZSA-N 0 3 393.531 3.557 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)ccc2ccccc21 ZINC001231878600 1034962430 /nfs/dbraw/zinc/96/24/30/1034962430.db2.gz MPWGNIYMVFTFSV-XMMPIXPASA-N 0 3 389.499 3.812 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)ccc2ccccc21 ZINC001231878600 1034962431 /nfs/dbraw/zinc/96/24/31/1034962431.db2.gz MPWGNIYMVFTFSV-XMMPIXPASA-N 0 3 389.499 3.812 20 10 GHCDHN Cc1nc2ccoc2c(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160616529 1035016869 /nfs/dbraw/zinc/01/68/69/1035016869.db2.gz MGRXCEFBLPSPBV-RTBURBONSA-N 0 3 376.416 3.796 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1cc(OCC2CC2)ncn1)c1ccccc1O ZINC001160618316 1035017463 /nfs/dbraw/zinc/01/74/63/1035017463.db2.gz DNDCTLCMKQICNI-FGZHOGPDSA-N 0 3 392.459 3.530 20 10 GHCDHN CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199502 1035157038 /nfs/dbraw/zinc/15/70/38/1035157038.db2.gz IXDFJHRNAHXNEC-QGZVFWFLSA-N 0 3 394.943 3.873 20 10 GHCDHN COC(=O)c1c(CN(C)CCN(C)Cc2ccccc2)c2ccccc2n1C ZINC001232404004 1038187338 /nfs/dbraw/zinc/18/73/38/1038187338.db2.gz JAMHJAOFYCUYFH-UHFFFAOYSA-N 0 3 379.504 3.529 20 10 GHCDHN COC(=O)c1c(CN2CCC3(CC2)OCc2ccccc23)c2ccccc2n1C ZINC001232407203 1038189269 /nfs/dbraw/zinc/18/92/69/1038189269.db2.gz MANUHDYKRSBXHM-UHFFFAOYSA-N 0 3 390.483 3.986 20 10 GHCDHN COc1cc(O[C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)ccn1 ZINC001233110353 1038900762 /nfs/dbraw/zinc/90/07/62/1038900762.db2.gz BJGPTYHQRJMDNN-MRXNPFEDSA-N 0 3 393.281 3.520 20 10 GHCDHN Cc1cccnc1N1CCCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233111027 1038902299 /nfs/dbraw/zinc/90/22/99/1038902299.db2.gz XSGFNWCDUTUEAW-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN Cc1cccnc1N1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001233111027 1038902301 /nfs/dbraw/zinc/90/23/01/1038902301.db2.gz XSGFNWCDUTUEAW-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN Cc1cccnc1N1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001233111027 1038902308 /nfs/dbraw/zinc/90/23/08/1038902308.db2.gz XSGFNWCDUTUEAW-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754891 1039592233 /nfs/dbraw/zinc/59/22/33/1039592233.db2.gz NQXGRXJQDZOJFY-UHFFFAOYSA-N 0 3 396.409 3.759 20 10 GHCDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754891 1039592242 /nfs/dbraw/zinc/59/22/42/1039592242.db2.gz NQXGRXJQDZOJFY-UHFFFAOYSA-N 0 3 396.409 3.759 20 10 GHCDHN CCOC(=O)C1(CC)CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233776481 1039608053 /nfs/dbraw/zinc/60/80/53/1039608053.db2.gz UGZSHRHRJNCMLV-UHFFFAOYSA-N 0 3 375.387 3.846 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536254 1040108296 /nfs/dbraw/zinc/10/82/96/1040108296.db2.gz MLIFDQABSMLNPQ-HXOBKFHXSA-N 0 3 385.504 3.962 20 10 GHCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536254 1040108302 /nfs/dbraw/zinc/10/83/02/1040108302.db2.gz MLIFDQABSMLNPQ-HXOBKFHXSA-N 0 3 385.504 3.962 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545972 1040116545 /nfs/dbraw/zinc/11/65/45/1040116545.db2.gz VNZDBDVVPBERLW-WMZHIEFXSA-N 0 3 383.488 3.714 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)c2c1 ZINC001234545972 1040116553 /nfs/dbraw/zinc/11/65/53/1040116553.db2.gz VNZDBDVVPBERLW-WMZHIEFXSA-N 0 3 383.488 3.714 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4[C@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546018 1040116629 /nfs/dbraw/zinc/11/66/29/1040116629.db2.gz WTRUQDOGBRLTSR-UTKZUKDTSA-N 0 3 382.504 3.633 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4[C@H](CCN4C(=O)C(C)C)C3)c2c1 ZINC001234546018 1040116638 /nfs/dbraw/zinc/11/66/38/1040116638.db2.gz WTRUQDOGBRLTSR-UTKZUKDTSA-N 0 3 382.504 3.633 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4[C@@H](CN4C(=O)OC(C)(C)C)C3)c2c1 ZINC001234568959 1040134673 /nfs/dbraw/zinc/13/46/73/1040134673.db2.gz IBKSXPOHZGGACK-BEFAXECRSA-N 0 3 384.476 3.605 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4[C@@H](CN4C(=O)OC(C)(C)C)C3)c2c1 ZINC001234568959 1040134682 /nfs/dbraw/zinc/13/46/82/1040134682.db2.gz IBKSXPOHZGGACK-BEFAXECRSA-N 0 3 384.476 3.605 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](Oc4nccnc4C)C3)c2c1 ZINC001234570048 1040138742 /nfs/dbraw/zinc/13/87/42/1040138742.db2.gz WKXZHTRPMQGWNV-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](Oc4nccnc4C)C3)c2c1 ZINC001234570048 1040138751 /nfs/dbraw/zinc/13/87/51/1040138751.db2.gz WKXZHTRPMQGWNV-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN CCN(CC)C(=O)[C@H](Oc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC001234660624 1040195959 /nfs/dbraw/zinc/19/59/59/1040195959.db2.gz JOUVYBUYPYMDFD-HSZRJFAPSA-N 0 3 395.547 3.817 20 10 GHCDHN [O-]c1c(C[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)cccc1-c1ccccc1 ZINC001234989095 1040485867 /nfs/dbraw/zinc/48/58/67/1040485867.db2.gz SQLGURVNCOURAN-UHFFFAOYSA-N 0 3 399.498 3.559 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCc3nnc(Cn4cccc4)n3CC2)cccc1-c1ccccc1 ZINC001234989095 1040485872 /nfs/dbraw/zinc/48/58/72/1040485872.db2.gz SQLGURVNCOURAN-UHFFFAOYSA-N 0 3 399.498 3.559 20 10 GHCDHN [O-]c1c(C[NH+]2CCN(c3nccc(Cl)n3)CC2)cccc1-c1ccccc1 ZINC001234996524 1040490415 /nfs/dbraw/zinc/49/04/15/1040490415.db2.gz IJFMWGIYELBJCL-UHFFFAOYSA-N 0 3 380.879 3.825 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CF)c2ccc(F)cc2)N(C)C)cc1 ZINC001235464868 1040950206 /nfs/dbraw/zinc/95/02/06/1040950206.db2.gz QRTVVIWOZPIKPD-WOJBJXKFSA-N 0 3 390.478 3.504 20 10 GHCDHN CCOC(=O)c1c(CN2CCN[C@@H](c3ccccc3)C2)c2ccccc2n1C ZINC001235855192 1041381115 /nfs/dbraw/zinc/38/11/15/1041381115.db2.gz KUYCDCUAJKRSNK-HXUWFJFHSA-N 0 3 377.488 3.502 20 10 GHCDHN Cc1ccc(CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C2CC2)o1 ZINC001256231917 1041667399 /nfs/dbraw/zinc/66/73/99/1041667399.db2.gz IHBCLMREDMPTHP-OAQYLSRUSA-N 0 3 384.524 3.631 20 10 GHCDHN COC(=O)[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CCCCC1 ZINC001462573899 1070380108 /nfs/dbraw/zinc/38/01/08/1070380108.db2.gz QVABQBIEJOFYGY-MRXNPFEDSA-N 0 3 384.314 3.922 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CCC[C@@H](Oc2ncccn2)C1 ZINC001236782719 1041889593 /nfs/dbraw/zinc/88/95/93/1041889593.db2.gz MQPBKTNITVWIRE-OAQYLSRUSA-N 0 3 391.471 3.805 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)c([O-])c1 ZINC001236793529 1041898016 /nfs/dbraw/zinc/89/80/16/1041898016.db2.gz YBTHKWGUDJMWBZ-UHFFFAOYSA-N 0 3 392.956 3.832 20 10 GHCDHN CCc1ccc(C[N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)c([O-])c1 ZINC001236793529 1041898021 /nfs/dbraw/zinc/89/80/21/1041898021.db2.gz YBTHKWGUDJMWBZ-UHFFFAOYSA-N 0 3 392.956 3.832 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC001236811297 1041911349 /nfs/dbraw/zinc/91/13/49/1041911349.db2.gz NJSOBBNCFGLORP-XVQYUUQNSA-N 0 3 398.478 3.945 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC001236811297 1041911354 /nfs/dbraw/zinc/91/13/54/1041911354.db2.gz NJSOBBNCFGLORP-XVQYUUQNSA-N 0 3 398.478 3.945 20 10 GHCDHN O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236832794 1041922313 /nfs/dbraw/zinc/92/23/13/1041922313.db2.gz QJOOKJIPCXMOQL-OAQYLSRUSA-N 0 3 387.483 3.579 20 10 GHCDHN C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236843575 1041925437 /nfs/dbraw/zinc/92/54/37/1041925437.db2.gz PLSLMVDQEXZCIB-OAHLLOKOSA-N 0 3 376.497 3.754 20 10 GHCDHN C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236843575 1041925439 /nfs/dbraw/zinc/92/54/39/1041925439.db2.gz PLSLMVDQEXZCIB-OAHLLOKOSA-N 0 3 376.497 3.754 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3C[C@H]4CCC[C@@H]4C3)cc2C1 ZINC001236843614 1041925716 /nfs/dbraw/zinc/92/57/16/1041925716.db2.gz PXLCMYBZZZIKLF-HZPDHXFCSA-N 0 3 388.508 3.754 20 10 GHCDHN CCOC(=O)[C@@]1(C)CCCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236924600 1041960926 /nfs/dbraw/zinc/96/09/26/1041960926.db2.gz NBXWMUBHRCQZEA-NRFANRHFSA-N 0 3 394.943 3.732 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c([O-])c1 ZINC001237039643 1041999836 /nfs/dbraw/zinc/99/98/36/1041999836.db2.gz BFZGPXGBMRYWHR-QFIPXVFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c([O-])c1 ZINC001237039643 1041999838 /nfs/dbraw/zinc/99/98/38/1041999838.db2.gz BFZGPXGBMRYWHR-QFIPXVFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)c([O-])c1 ZINC001237040383 1042000900 /nfs/dbraw/zinc/00/09/00/1042000900.db2.gz HOVDYEANUVLHRK-UHFFFAOYSA-N 0 3 384.476 3.655 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)c([O-])c1 ZINC001237044009 1042004105 /nfs/dbraw/zinc/00/41/05/1042004105.db2.gz VOIKYGZNEJLMOC-GMAHTHKFSA-N 0 3 386.536 3.937 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)c([O-])c1 ZINC001237044009 1042004111 /nfs/dbraw/zinc/00/41/11/1042004111.db2.gz VOIKYGZNEJLMOC-GMAHTHKFSA-N 0 3 386.536 3.937 20 10 GHCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCN(Cc2ccccc2)CC1 ZINC001237053346 1042011812 /nfs/dbraw/zinc/01/18/12/1042011812.db2.gz KLBKDMLVQPXZDC-UHFFFAOYSA-N 0 3 380.410 3.651 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1C ZINC001237125126 1042053186 /nfs/dbraw/zinc/05/31/86/1042053186.db2.gz JEDSJIZWJWPJAQ-CHWSQXEVSA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1C ZINC001237125126 1042053191 /nfs/dbraw/zinc/05/31/91/1042053191.db2.gz JEDSJIZWJWPJAQ-CHWSQXEVSA-N 0 3 375.387 3.702 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001237488536 1042231728 /nfs/dbraw/zinc/23/17/28/1042231728.db2.gz NCMPBZOTPKAMLX-QHCPKHFHSA-N 0 3 382.479 3.854 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001237488536 1042231733 /nfs/dbraw/zinc/23/17/33/1042231733.db2.gz NCMPBZOTPKAMLX-QHCPKHFHSA-N 0 3 382.479 3.854 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001237490168 1042232235 /nfs/dbraw/zinc/23/22/35/1042232235.db2.gz QNFHELWQDQJQHP-IFMALSPDSA-N 0 3 386.467 3.685 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001237490168 1042232238 /nfs/dbraw/zinc/23/22/38/1042232238.db2.gz QNFHELWQDQJQHP-IFMALSPDSA-N 0 3 386.467 3.685 20 10 GHCDHN COCCC[N@H+](Cc1c(C)cccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237496302 1042235367 /nfs/dbraw/zinc/23/53/67/1042235367.db2.gz XUXZCQPBRAQIRF-QGZVFWFLSA-N 0 3 378.513 3.549 20 10 GHCDHN COCCC[N@@H+](Cc1c(C)cccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001237496302 1042235372 /nfs/dbraw/zinc/23/53/72/1042235372.db2.gz XUXZCQPBRAQIRF-QGZVFWFLSA-N 0 3 378.513 3.549 20 10 GHCDHN Cc1cccc(O)c1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001237495252 1042235550 /nfs/dbraw/zinc/23/55/50/1042235550.db2.gz NXVUSMQYUWAPJU-GJZGRUSLSA-N 0 3 388.430 3.978 20 10 GHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCN(Cc2ccncc2)CC1 ZINC001237642529 1042300686 /nfs/dbraw/zinc/30/06/86/1042300686.db2.gz DMUFIJCUZUQWEN-UHFFFAOYSA-N 0 3 377.463 3.911 20 10 GHCDHN Cc1cc(N2CCN(Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)nc(C)n1 ZINC001237644050 1042301181 /nfs/dbraw/zinc/30/11/81/1042301181.db2.gz VZDMPURJNBCCQM-UHFFFAOYSA-N 0 3 392.478 3.927 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c1[O-] ZINC001237681119 1042322602 /nfs/dbraw/zinc/32/26/02/1042322602.db2.gz XHSISKKAPHHZQP-MRXNPFEDSA-N 0 3 375.900 3.626 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1O ZINC001237683687 1042323701 /nfs/dbraw/zinc/32/37/01/1042323701.db2.gz HUPSIFITWUGIGT-OAHLLOKOSA-N 0 3 376.932 3.968 20 10 GHCDHN COc1cc(Br)c2cc(CN(C)Cc3ccccc3O)[nH]c2n1 ZINC001237940554 1042430368 /nfs/dbraw/zinc/43/03/68/1042430368.db2.gz FXMFYRDTXVDGRF-UHFFFAOYSA-N 0 3 376.254 3.672 20 10 GHCDHN COc1cc(Br)c2cc(C[N@H+](C)Cc3ccccc3[O-])[nH]c2n1 ZINC001237940554 1042430372 /nfs/dbraw/zinc/43/03/72/1042430372.db2.gz FXMFYRDTXVDGRF-UHFFFAOYSA-N 0 3 376.254 3.672 20 10 GHCDHN COc1cc(Br)c2cc(C[N@@H+](C)Cc3ccccc3[O-])[nH]c2n1 ZINC001237940554 1042430375 /nfs/dbraw/zinc/43/03/75/1042430375.db2.gz FXMFYRDTXVDGRF-UHFFFAOYSA-N 0 3 376.254 3.672 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(CCN(C)C)CC(C)C)ccc1C ZINC001293107304 1044023714 /nfs/dbraw/zinc/02/37/14/1044023714.db2.gz HZRAWQRBJAGDGO-UHFFFAOYSA-N 0 3 383.536 3.875 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001257795271 1044179151 /nfs/dbraw/zinc/17/91/51/1044179151.db2.gz BDXJPVRWYAZJCK-HRAATJIYSA-N 0 3 376.497 3.757 20 10 GHCDHN CS[C@H]1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C[C@@H]1N(C)C ZINC001295851401 1045167921 /nfs/dbraw/zinc/16/79/21/1045167921.db2.gz GWTSUGXYTMOVSE-SFTDATJTSA-N 0 3 385.577 3.829 20 10 GHCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc1Br ZINC001279707269 1047925532 /nfs/dbraw/zinc/92/55/32/1047925532.db2.gz ZTTYIIYMYHDILK-IYBDPMFKSA-N 0 3 395.341 3.755 20 10 GHCDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)cc1Br ZINC001279707269 1047925536 /nfs/dbraw/zinc/92/55/36/1047925536.db2.gz ZTTYIIYMYHDILK-IYBDPMFKSA-N 0 3 395.341 3.755 20 10 GHCDHN C[C@H](CCc1ccccc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311367343 1052064106 /nfs/dbraw/zinc/06/41/06/1052064106.db2.gz LGIAQYZPBVEAAU-XMSQKQJNSA-N 0 3 382.552 3.676 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001312658515 1052828209 /nfs/dbraw/zinc/82/82/09/1052828209.db2.gz FMNGZGBWNKGLEW-YYDVJCTNSA-N 0 3 396.579 3.983 20 10 GHCDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)Cc2ccccc21 ZINC001313414885 1053047494 /nfs/dbraw/zinc/04/74/94/1053047494.db2.gz PBAVVXVJNMOKMW-VGOFRKELSA-N 0 3 380.536 3.684 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](Cc3nccn3C)C2)c(C(F)(F)F)c1 ZINC001322401853 1056678480 /nfs/dbraw/zinc/67/84/80/1056678480.db2.gz IBWZQOHXNDNAMX-OAHLLOKOSA-N 0 3 380.458 3.960 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1[O-] ZINC000848529997 1057152136 /nfs/dbraw/zinc/15/21/36/1057152136.db2.gz AWALSFHJZPLRAN-XIKOKIGWSA-N 0 3 380.282 3.722 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1[O-] ZINC000848531054 1057152642 /nfs/dbraw/zinc/15/26/42/1057152642.db2.gz KCWXSJOMNXGPAG-OCCSQVGLSA-N 0 3 380.282 3.590 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1[O-] ZINC000848536454 1057157274 /nfs/dbraw/zinc/15/72/74/1057157274.db2.gz SHFCGVJDYCGRDZ-MLGOLLRUSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccc(CO)cc2)c1[O-] ZINC000848537376 1057157766 /nfs/dbraw/zinc/15/77/66/1057157766.db2.gz GLMRMLVBUOANJR-LBPRGKRZSA-N 0 3 380.282 3.549 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CC(C)(C)O3)N(C)C)cc1 ZINC001465903176 1065915863 /nfs/dbraw/zinc/91/58/63/1065915863.db2.gz GIYQDAFMYSUPHA-HXUWFJFHSA-N 0 3 396.535 3.891 20 10 GHCDHN O=[N+]([O-])c1cc(CNc2ccc([C@@H]3CNCCO3)cc2)ccc1N1CCCCC1 ZINC000849351722 1067817744 /nfs/dbraw/zinc/81/77/44/1067817744.db2.gz CAVFVJBLHPLSFO-QFIPXVFZSA-N 0 3 396.491 3.858 20 10 GHCDHN C[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1Cc1ccccc1 ZINC001478173062 1078752182 /nfs/dbraw/zinc/75/21/82/1078752182.db2.gz ADXIKXHKVKSJFJ-PXNSSMCTSA-N 0 3 393.531 3.733 20 10 GHCDHN CC(C)[C@H](Cc1ccccc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471348580 1073033446 /nfs/dbraw/zinc/03/34/46/1073033446.db2.gz QSOYYLWYXMLDQD-XZOQPEGZSA-N 0 3 396.579 3.922 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC(C3CCCC3)CC2)N(C)C)cc1 ZINC001471542882 1073123402 /nfs/dbraw/zinc/12/34/02/1073123402.db2.gz CYVJFGPFVPAWIS-QFIPXVFZSA-N 0 3 386.584 3.967 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](c3ccccc3F)C2)N(C)C)cc1 ZINC001471546877 1073125719 /nfs/dbraw/zinc/12/57/19/1073125719.db2.gz GTHXZEJMRLWXTK-GCJKJVERSA-N 0 3 398.526 3.694 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](c3ccccc3F)C2)N(C)C)cc1 ZINC001471546876 1073126042 /nfs/dbraw/zinc/12/60/42/1073126042.db2.gz GTHXZEJMRLWXTK-AVRDEDQJSA-N 0 3 398.526 3.694 20 10 GHCDHN CC[C@H](CNc1ccccc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471548226 1073127096 /nfs/dbraw/zinc/12/70/96/1073127096.db2.gz SAAVAYCDDLOZOD-DENIHFKCSA-N 0 3 397.567 3.545 20 10 GHCDHN C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1[O-] ZINC001473723200 1074107952 /nfs/dbraw/zinc/10/79/52/1074107952.db2.gz AWMRKRJDHWXLAT-INIZCTEOSA-N 0 3 389.455 3.934 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(Cc3ccc(F)cc3)CC2)N(C)C)cc1 ZINC001479535788 1079224847 /nfs/dbraw/zinc/22/48/47/1079224847.db2.gz YQWADNBMZPJLNT-NRFANRHFSA-N 0 3 398.526 3.569 20 10 GHCDHN CCCCOc1ccccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001473950683 1074215835 /nfs/dbraw/zinc/21/58/35/1074215835.db2.gz SOBCAURGEUSMIR-NRFANRHFSA-N 0 3 395.547 3.857 20 10 GHCDHN CSCc1cc(F)ccc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001474043904 1074246246 /nfs/dbraw/zinc/24/62/46/1074246246.db2.gz YKBKRNOEJYVVKE-UHFFFAOYSA-N 0 3 391.531 3.869 20 10 GHCDHN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000825417007 609143723 /nfs/dbraw/zinc/14/37/23/609143723.db2.gz NSXRJWSGLUQDRI-ZDUSSCGKSA-N 0 3 386.450 3.842 20 10 GHCDHN COCCOc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000162999567 837480733 /nfs/dbraw/zinc/48/07/33/837480733.db2.gz WFEQLBCOMSEUJY-QGZVFWFLSA-N 0 3 388.483 3.538 20 10 GHCDHN C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000124804484 841016777 /nfs/dbraw/zinc/01/67/77/841016777.db2.gz KHQJAKGZGXVBTI-JLTOFOAXSA-N 0 3 378.875 3.700 20 10 GHCDHN COc1ccc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000125387211 841508816 /nfs/dbraw/zinc/50/88/16/841508816.db2.gz ULUOVTLYEYOKID-QVKFZJNVSA-N 0 3 390.911 3.569 20 10 GHCDHN Cc1cc(O)c(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C ZINC000191933000 841629655 /nfs/dbraw/zinc/62/96/55/841629655.db2.gz ZAAWKFNXVLVYRP-UHFFFAOYSA-N 0 3 386.443 3.592 20 10 GHCDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000278997659 842441664 /nfs/dbraw/zinc/44/16/64/842441664.db2.gz FJXPBCVSTBJFGN-NSHDSACASA-N 0 3 378.270 3.667 20 10 GHCDHN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731400000 861611935 /nfs/dbraw/zinc/61/19/35/861611935.db2.gz SFDCXUPILLPIIR-LJQANCHMSA-N 0 3 397.563 3.673 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000760031578 854180611 /nfs/dbraw/zinc/18/06/11/854180611.db2.gz DLKFDVPEWCZVRT-JSGCOSHPSA-N 0 3 382.273 3.796 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000059376265 858347515 /nfs/dbraw/zinc/34/75/15/858347515.db2.gz UFAMPMBXAFURAV-UHFFFAOYSA-N 0 3 384.480 3.536 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1[O-] ZINC000922330063 859617073 /nfs/dbraw/zinc/61/70/73/859617073.db2.gz RXOXWJNXTHAQDC-DLBZAZTESA-N 0 3 390.524 3.992 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCSc4ccccc43)cc2)C1 ZINC000765246835 859865050 /nfs/dbraw/zinc/86/50/50/859865050.db2.gz XPNDPRBWTQFOLT-XLIONFOSSA-N 0 3 381.545 3.715 20 10 GHCDHN COc1cc(Br)cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000922538912 860153521 /nfs/dbraw/zinc/15/35/21/860153521.db2.gz YOWSCZCJVYCHAZ-SNVBAGLBSA-N 0 3 381.226 3.922 20 10 GHCDHN CCC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1[O-] ZINC000170779289 860695122 /nfs/dbraw/zinc/69/51/22/860695122.db2.gz RLKNOLODKORSLZ-UHFFFAOYSA-N 0 3 395.503 3.760 20 10 GHCDHN CCC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1[O-] ZINC000170779289 860695126 /nfs/dbraw/zinc/69/51/26/860695126.db2.gz RLKNOLODKORSLZ-UHFFFAOYSA-N 0 3 395.503 3.760 20 10 GHCDHN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)N1CCCCCC1 ZINC000733892506 863313702 /nfs/dbraw/zinc/31/37/02/863313702.db2.gz GOLSDQIFOGTIQZ-SIKLNZKXSA-N 0 3 387.568 3.525 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000734531784 864281714 /nfs/dbraw/zinc/28/17/14/864281714.db2.gz PHXCUYLEACUBGU-QFIPXVFZSA-N 0 3 380.536 3.525 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000735996281 865081342 /nfs/dbraw/zinc/08/13/42/865081342.db2.gz VSGKIUUELIWLBA-UHFFFAOYSA-N 0 3 387.568 3.526 20 10 GHCDHN CC(C)CCn1cccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000738427100 865540278 /nfs/dbraw/zinc/54/02/78/865540278.db2.gz OIUXACUXDOSNGW-FQEVSTJZSA-N 0 3 382.552 3.526 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1F ZINC000740004724 865823756 /nfs/dbraw/zinc/82/37/56/865823756.db2.gz UHGZFNKUQXQMJO-QFIPXVFZSA-N 0 3 397.538 3.995 20 10 GHCDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000740917038 866103993 /nfs/dbraw/zinc/10/39/93/866103993.db2.gz JXIMMWDWISBNJI-QHCPKHFHSA-N 0 3 390.531 3.527 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000741090229 866235645 /nfs/dbraw/zinc/23/56/45/866235645.db2.gz YLALMFSFUNMDCO-FQEVSTJZSA-N 0 3 394.563 3.867 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000743078277 867801176 /nfs/dbraw/zinc/80/11/76/867801176.db2.gz JHWLTNKQPSULJI-UHFFFAOYSA-N 0 3 396.535 3.978 20 10 GHCDHN CC1(C)CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@]2(CCOC2)O1 ZINC000793365243 882130190 /nfs/dbraw/zinc/13/01/90/882130190.db2.gz JJSOWLDWIWGNKR-HSZRJFAPSA-N 0 3 383.488 3.741 20 10 GHCDHN CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000793365243 882130197 /nfs/dbraw/zinc/13/01/97/882130197.db2.gz JJSOWLDWIWGNKR-HSZRJFAPSA-N 0 3 383.488 3.741 20 10 GHCDHN CC1(C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000793365243 882130206 /nfs/dbraw/zinc/13/02/06/882130206.db2.gz JJSOWLDWIWGNKR-HSZRJFAPSA-N 0 3 383.488 3.741 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)c([O-])c1 ZINC000793390904 882165795 /nfs/dbraw/zinc/16/57/95/882165795.db2.gz USBAYAFJNMZHEK-AWEZNQCLSA-N 0 3 376.884 3.581 20 10 GHCDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000744098227 868593969 /nfs/dbraw/zinc/59/39/69/868593969.db2.gz ANWKCCSETAXVNP-UHFFFAOYSA-N 0 3 376.504 3.693 20 10 GHCDHN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1cccc(OC)c1 ZINC000121626965 869257686 /nfs/dbraw/zinc/25/76/86/869257686.db2.gz WQKFVXHLNAORSA-FQEVSTJZSA-N 0 3 385.508 3.625 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000793603558 882307754 /nfs/dbraw/zinc/30/77/54/882307754.db2.gz BQKHZJRFLIIXJR-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC000793603558 882307770 /nfs/dbraw/zinc/30/77/70/882307770.db2.gz BQKHZJRFLIIXJR-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000857548030 882330297 /nfs/dbraw/zinc/33/02/97/882330297.db2.gz AVJPCINJOZRBLH-KRWDZBQOSA-N 0 3 394.849 3.819 20 10 GHCDHN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182422544 872337776 /nfs/dbraw/zinc/33/77/76/872337776.db2.gz VTCWIHFAROTDOC-HRAATJIYSA-N 0 3 398.503 3.814 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)c(F)c(F)c3)c2)CC1 ZINC000767382766 872480393 /nfs/dbraw/zinc/48/03/93/872480393.db2.gz HUESODRBNXUNPG-UHFFFAOYSA-N 0 3 377.410 3.887 20 10 GHCDHN O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000768248932 873187596 /nfs/dbraw/zinc/18/75/96/873187596.db2.gz KOJBSCXZNCMASN-OAQYLSRUSA-N 0 3 376.456 3.933 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3nc4ccccc4s3)CC1)[C@@H](O)CO2 ZINC000768438638 873302538 /nfs/dbraw/zinc/30/25/38/873302538.db2.gz WKKLNSLGHOIFEP-SFHVURJKSA-N 0 3 382.485 3.807 20 10 GHCDHN Cc1ccc(C(=O)C2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)c(C)c1 ZINC000768440840 873305875 /nfs/dbraw/zinc/30/58/75/873305875.db2.gz ZRDKKHAMNDJXIA-OAQYLSRUSA-N 0 3 381.472 3.530 20 10 GHCDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768950819 873729969 /nfs/dbraw/zinc/72/99/69/873729969.db2.gz KQHHEWVCPVLOLD-OAHLLOKOSA-N 0 3 392.500 3.588 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528000778 873869248 /nfs/dbraw/zinc/86/92/48/873869248.db2.gz HLWKOPXOMSMRJH-PXAZEXFGSA-N 0 3 389.293 3.941 20 10 GHCDHN Cn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C(C)(C)C)n1 ZINC000769695190 874236981 /nfs/dbraw/zinc/23/69/81/874236981.db2.gz YDOXDLHTRQDQJR-SFHVURJKSA-N 0 3 390.959 3.831 20 10 GHCDHN COc1ccc(CN(C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000775833668 874320972 /nfs/dbraw/zinc/32/09/72/874320972.db2.gz GBACWWFQCNPTEH-KRWDZBQOSA-N 0 3 381.520 3.603 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 ZINC000770144822 874495077 /nfs/dbraw/zinc/49/50/77/874495077.db2.gz XBYRLEBFAXBWGQ-UHFFFAOYSA-N 0 3 388.309 3.843 20 10 GHCDHN O[C@@H](C[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000770291862 874580416 /nfs/dbraw/zinc/58/04/16/874580416.db2.gz NDTHWUQEJQKLLX-XLIONFOSSA-N 0 3 390.524 3.812 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000776051043 875284022 /nfs/dbraw/zinc/28/40/22/875284022.db2.gz ZYHGUXKNMKWWHE-AWEZNQCLSA-N 0 3 382.273 3.543 20 10 GHCDHN CC(=O)c1ccc(NC(=O)CCN(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000771790342 875461167 /nfs/dbraw/zinc/46/11/67/875461167.db2.gz BEPVXVQSFXTIRK-UHFFFAOYSA-N 0 3 379.504 3.948 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000776174511 875691847 /nfs/dbraw/zinc/69/18/47/875691847.db2.gz CKBMEBZWLUIQLB-QGZVFWFLSA-N 0 3 386.236 3.739 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3c[nH]nc3-c3ccc(C)o3)cc2F)CC1 ZINC000106487201 876072676 /nfs/dbraw/zinc/07/26/76/876072676.db2.gz HONYMMHCGCDWMA-UHFFFAOYSA-N 0 3 397.498 3.549 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3ccc(OC)c(OC)c3Cl)C2)cc1 ZINC000850345448 876836075 /nfs/dbraw/zinc/83/60/75/876836075.db2.gz AKEARFYRUFNOHO-OAHLLOKOSA-N 0 3 376.884 3.734 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1[O-] ZINC000850409057 876889814 /nfs/dbraw/zinc/88/98/14/876889814.db2.gz JHPUZKSLYMRDOK-USXIJHARSA-N 0 3 378.241 3.730 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1[O-] ZINC000850501422 876976634 /nfs/dbraw/zinc/97/66/34/876976634.db2.gz BVTLVLGGPGBRLM-WJNFTWJOSA-N 0 3 390.343 3.504 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1[O-] ZINC000850573157 877038007 /nfs/dbraw/zinc/03/80/07/877038007.db2.gz VJRGLYMQINFEHO-DCGLDWPTSA-N 0 3 394.309 3.979 20 10 GHCDHN CC(C)CNC(=O)c1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000109761655 877424822 /nfs/dbraw/zinc/42/48/22/877424822.db2.gz UIODXWCKKJPSTK-QFIPXVFZSA-N 0 3 396.531 3.959 20 10 GHCDHN COC1CCN(c2ccc(CN3Cc4cnn(C)c4CC(C)(C)C3)cc2)CC1 ZINC000854057581 879483513 /nfs/dbraw/zinc/48/35/13/879483513.db2.gz OTAXCEQYQXOYEM-UHFFFAOYSA-N 0 3 382.552 3.620 20 10 GHCDHN O=C1[C@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)CCCN1Cc1ccccc1 ZINC000790313728 879590601 /nfs/dbraw/zinc/59/06/01/879590601.db2.gz BVXYVZQBRKGSGC-FCHUYYIVSA-N 0 3 394.515 3.564 20 10 GHCDHN C[C@@H]1OCC[C@]12CN(Cc1ccc(OCc3ccccc3)cc1O)C[C@@H](C)O2 ZINC000790930703 880070349 /nfs/dbraw/zinc/07/03/49/880070349.db2.gz BVEXUQFLRPHYDL-STSQHVNTSA-N 0 3 383.488 3.740 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)N(C)C)cc1 ZINC000729045205 883448860 /nfs/dbraw/zinc/44/88/60/883448860.db2.gz RDCZAUXUSWEXGS-MGPUTAFESA-N 0 3 385.508 3.626 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC001184115968 913034076 /nfs/dbraw/zinc/03/40/76/913034076.db2.gz QYCYCWOARAUJHJ-NRFANRHFSA-N 0 3 397.515 3.725 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC001184115968 913034094 /nfs/dbraw/zinc/03/40/94/913034094.db2.gz QYCYCWOARAUJHJ-NRFANRHFSA-N 0 3 397.515 3.725 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697992 887678711 /nfs/dbraw/zinc/67/87/11/887678711.db2.gz SYTJYSLJDLIKPC-IEBWSBKVSA-N 0 3 395.421 3.964 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697992 887678721 /nfs/dbraw/zinc/67/87/21/887678721.db2.gz SYTJYSLJDLIKPC-IEBWSBKVSA-N 0 3 395.421 3.964 20 10 GHCDHN COc1cccc(O)c1CN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000809687374 887704371 /nfs/dbraw/zinc/70/43/71/887704371.db2.gz XXNZGNXPHBVSHQ-LJQANCHMSA-N 0 3 382.504 3.504 20 10 GHCDHN CC[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(C)cc1[O-] ZINC000794803970 888108640 /nfs/dbraw/zinc/10/86/40/888108640.db2.gz TXZOANCBZLKFNN-JOCHJYFZSA-N 0 3 384.520 3.653 20 10 GHCDHN CCCC[C@H](C)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000810124500 888188089 /nfs/dbraw/zinc/18/80/89/888188089.db2.gz HRHSBSYHRDLBLI-OKZBNKHCSA-N 0 3 393.547 3.566 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000810164571 888222695 /nfs/dbraw/zinc/22/26/95/888222695.db2.gz JYUWSANYXPWIBV-QVKFZJNVSA-N 0 3 378.513 3.774 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000810164571 888222708 /nfs/dbraw/zinc/22/27/08/888222708.db2.gz JYUWSANYXPWIBV-QVKFZJNVSA-N 0 3 378.513 3.774 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1[O-] ZINC000810170420 888232064 /nfs/dbraw/zinc/23/20/64/888232064.db2.gz KDITYEHMBDLZPV-KRWDZBQOSA-N 0 3 398.322 3.803 20 10 GHCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228175 888303613 /nfs/dbraw/zinc/30/36/13/888303613.db2.gz QVUHVMLZOPLHGU-OKZBNKHCSA-N 0 3 386.458 3.830 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866534021 888922163 /nfs/dbraw/zinc/92/21/63/888922163.db2.gz YYGSAJQRWBNQBV-DZGCQCFKSA-N 0 3 384.314 3.699 20 10 GHCDHN C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000287499823 913373838 /nfs/dbraw/zinc/37/38/38/913373838.db2.gz YIQOQSPSBATNEM-IRXDYDNUSA-N 0 3 382.504 3.932 20 10 GHCDHN CCOc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1O ZINC000916836159 890272484 /nfs/dbraw/zinc/27/24/84/890272484.db2.gz HLUZEYCOZGJYLB-HZPDHXFCSA-N 0 3 388.483 3.833 20 10 GHCDHN COc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1Cn1cccn1 ZINC000873126455 891475996 /nfs/dbraw/zinc/47/59/96/891475996.db2.gz HOGYONDQHDYUPC-HXUWFJFHSA-N 0 3 385.895 3.807 20 10 GHCDHN COc1ccc([C@@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001134686353 893200169 /nfs/dbraw/zinc/20/01/69/893200169.db2.gz IDHNBBTZJHROLX-HTAPYJJXSA-N 0 3 383.536 3.674 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCc3ccccc3C2)N(C)C)cc1 ZINC001134681727 893218087 /nfs/dbraw/zinc/21/80/87/893218087.db2.gz DPWFFEZXPUMUKH-FDDCHVKYSA-N 0 3 379.548 3.667 20 10 GHCDHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134682208 893218771 /nfs/dbraw/zinc/21/87/71/893218771.db2.gz ZYXXFLXEYQZHMV-LJQANCHMSA-N 0 3 383.467 3.979 20 10 GHCDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N(C)C)cc1 ZINC000918183694 893320063 /nfs/dbraw/zinc/32/00/63/893320063.db2.gz CCBBQGPOUFGQCQ-HSZRJFAPSA-N 0 3 394.563 3.951 20 10 GHCDHN Cc1ccc2c(CCC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c[nH]c2c1 ZINC001134881702 893459763 /nfs/dbraw/zinc/45/97/63/893459763.db2.gz FEOHHMYSXPQURF-QHCPKHFHSA-N 0 3 392.547 3.894 20 10 GHCDHN COCCCOc1cc(C)ccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877104055 893487068 /nfs/dbraw/zinc/48/70/68/893487068.db2.gz AOMYQSXIJAOWQS-UHFFFAOYSA-N 0 3 398.547 3.661 20 10 GHCDHN OC1CCN(c2ccc(CNC[C@@H](OC3CCCC3)C(F)(F)F)cc2)CC1 ZINC000877624049 893727113 /nfs/dbraw/zinc/72/71/13/893727113.db2.gz HZCFPNIYPPDPNZ-LJQANCHMSA-N 0 3 386.458 3.627 20 10 GHCDHN COc1cc(Cl)cc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1O ZINC000877663961 893751747 /nfs/dbraw/zinc/75/17/47/893751747.db2.gz ISRLBYKXNCQPNM-AWEZNQCLSA-N 0 3 375.774 3.896 20 10 GHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c([O-])c1 ZINC000815625880 894057405 /nfs/dbraw/zinc/05/74/05/894057405.db2.gz OWMSMAUGFSDBEG-CQSZACIVSA-N 0 3 375.900 3.946 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])[C@H]1n1cccn1 ZINC000815660688 894075777 /nfs/dbraw/zinc/07/57/77/894075777.db2.gz GSGHTYUHJZJGCX-KKBVYLPWSA-N 0 3 394.313 3.729 20 10 GHCDHN COC1CCN(c2ccc(CN[C@H](c3ccncc3)C3(CO)CCC3)cc2)CC1 ZINC000879008286 894779505 /nfs/dbraw/zinc/77/95/05/894779505.db2.gz RBUFSLANUOBIPC-HSZRJFAPSA-N 0 3 395.547 3.690 20 10 GHCDHN CN(C)C(=O)OC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000816655238 894997421 /nfs/dbraw/zinc/99/74/21/894997421.db2.gz XIDDMMDQMNNWEC-UHFFFAOYSA-N 0 3 384.476 3.634 20 10 GHCDHN Cc1cc(C(=O)Nc2ccnn2CCN(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000818943464 896286016 /nfs/dbraw/zinc/28/60/16/896286016.db2.gz ADETYJKLUKAGAA-UHFFFAOYSA-N 0 3 385.899 3.758 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(Br)cs1 ZINC000883290679 897456319 /nfs/dbraw/zinc/45/63/19/897456319.db2.gz CDDNQEMGUVNMRR-CYBMUJFWSA-N 0 3 395.370 3.508 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1[O-] ZINC000824589119 899706820 /nfs/dbraw/zinc/70/68/20/899706820.db2.gz AJRBAKNOLAWBON-MRXNPFEDSA-N 0 3 380.282 3.511 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824695903 899771985 /nfs/dbraw/zinc/77/19/85/899771985.db2.gz DKSJRVFMRLHRFJ-BZUAXINKSA-N 0 3 384.314 3.679 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824695903 899771990 /nfs/dbraw/zinc/77/19/90/899771990.db2.gz DKSJRVFMRLHRFJ-BZUAXINKSA-N 0 3 384.314 3.679 20 10 GHCDHN COc1cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000825450919 900171790 /nfs/dbraw/zinc/17/17/90/900171790.db2.gz MZFHQGJHXAISBH-AFMDSPMNSA-N 0 3 375.534 3.908 20 10 GHCDHN CCOC(=O)C1CCN(c2ccccc2C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001144103028 901069686 /nfs/dbraw/zinc/06/96/86/901069686.db2.gz SLRAKJMMGYCBBL-UHFFFAOYSA-N 0 3 394.515 3.730 20 10 GHCDHN CCOC(=O)C1CCN(c2ccccc2C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001144103028 901069695 /nfs/dbraw/zinc/06/96/95/901069695.db2.gz SLRAKJMMGYCBBL-UHFFFAOYSA-N 0 3 394.515 3.730 20 10 GHCDHN COCCN1CCC[C@H]1CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000303253001 914522844 /nfs/dbraw/zinc/52/28/44/914522844.db2.gz COMKBBODPONGAZ-IBGZPJMESA-N 0 3 389.927 3.588 20 10 GHCDHN CC(C)[N@H+](Cc1c([O-])cc(O)cc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001144504288 902285936 /nfs/dbraw/zinc/28/59/36/902285936.db2.gz OGLWBUFJMNQOPH-HNNXBMFYSA-N 0 3 394.512 3.803 20 10 GHCDHN CC(C)[N@@H+](Cc1c([O-])cc(O)cc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001144504288 902285942 /nfs/dbraw/zinc/28/59/42/902285942.db2.gz OGLWBUFJMNQOPH-HNNXBMFYSA-N 0 3 394.512 3.803 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999388 902581614 /nfs/dbraw/zinc/58/16/14/902581614.db2.gz IMSJHONCDXKBKQ-NLWGTHIKSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000845999388 902581619 /nfs/dbraw/zinc/58/16/19/902581619.db2.gz IMSJHONCDXKBKQ-NLWGTHIKSA-N 0 3 390.524 3.677 20 10 GHCDHN COc1ccc(N2CCC(N[C@@H](Cc3ccccc3)c3nccn3C)CC2)cc1 ZINC000846055327 902642369 /nfs/dbraw/zinc/64/23/69/902642369.db2.gz ATFDYOGRZAAOQA-QHCPKHFHSA-N 0 3 390.531 3.971 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000779039508 903342908 /nfs/dbraw/zinc/34/29/08/903342908.db2.gz BWZHPWRAILFRHT-GFCCVEGCSA-N 0 3 399.329 3.981 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000779039072 903387641 /nfs/dbraw/zinc/38/76/41/903387641.db2.gz PIOZCSRRSMAUEX-DJJJIMSYSA-N 0 3 376.294 3.948 20 10 GHCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015178 906091930 /nfs/dbraw/zinc/09/19/30/906091930.db2.gz KUKWAAIPJPPCCI-UHFFFAOYSA-N 0 3 377.391 3.679 20 10 GHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015178 906091948 /nfs/dbraw/zinc/09/19/48/906091948.db2.gz KUKWAAIPJPPCCI-UHFFFAOYSA-N 0 3 377.391 3.679 20 10 GHCDHN COCCN(C)c1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000191150282 906693024 /nfs/dbraw/zinc/69/30/24/906693024.db2.gz QRFMZGLFJBXFQB-UHFFFAOYSA-N 0 3 382.552 3.787 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)CC1 ZINC000184260570 907547458 /nfs/dbraw/zinc/54/74/58/907547458.db2.gz BSFPBFINQTZKEI-UHFFFAOYSA-N 0 3 388.855 3.642 20 10 GHCDHN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000773619660 908447943 /nfs/dbraw/zinc/44/79/43/908447943.db2.gz NHNLJCBUVMBZIS-GCJKJVERSA-N 0 3 380.536 3.950 20 10 GHCDHN CCCOc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1C ZINC001177905597 908794988 /nfs/dbraw/zinc/79/49/88/908794988.db2.gz RLGDGHUPXXQWSF-NRFANRHFSA-N 0 3 379.504 3.712 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(N2CCCCC2)cc1 ZINC000268761106 910003649 /nfs/dbraw/zinc/00/36/49/910003649.db2.gz NYWYEXFDFFXXJG-LJQANCHMSA-N 0 3 380.536 3.759 20 10 GHCDHN Fc1cc(CN2CCC(OC3CCCCC3)CC2)ccc1N1CCOCC1 ZINC000092736077 911759399 /nfs/dbraw/zinc/75/93/99/911759399.db2.gz VRPHAUHKVYEDMQ-UHFFFAOYSA-N 0 3 376.516 3.976 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000774480458 911785377 /nfs/dbraw/zinc/78/53/77/911785377.db2.gz CCUICWAASRQUBP-QWHCGFSZSA-N 0 3 390.871 3.992 20 10 GHCDHN Oc1ccccc1CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@H]1CCCO1 ZINC000096971068 915313097 /nfs/dbraw/zinc/31/30/97/915313097.db2.gz ABDKHYOJNVUGOB-QGZVFWFLSA-N 0 3 389.879 3.998 20 10 GHCDHN CC(C)[C@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775258621 916690792 /nfs/dbraw/zinc/69/07/92/916690792.db2.gz GVXDKCNARHWBIG-CYFREDJKSA-N 0 3 395.547 3.687 20 10 GHCDHN COC(=O)c1cc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c[nH]1 ZINC000800276329 919829610 /nfs/dbraw/zinc/82/96/10/919829610.db2.gz MDWSHUNDJQMWJQ-AWEZNQCLSA-N 0 3 375.900 3.981 20 10 GHCDHN COc1cc(Cl)cc(CN[C@@H](Cn2ccccc2=O)c2ccccc2)c1O ZINC000800545044 920262172 /nfs/dbraw/zinc/26/21/72/920262172.db2.gz IQKGYYIRFDVYMK-SFHVURJKSA-N 0 3 384.863 3.747 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC2CCC2)c(OC)c1 ZINC000800855637 920532936 /nfs/dbraw/zinc/53/29/36/920532936.db2.gz KGFMHGGDFBBPSN-OAQYLSRUSA-N 0 3 399.487 3.638 20 10 GHCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC2CCC2)c(OC)c1 ZINC000800855637 920532946 /nfs/dbraw/zinc/53/29/46/920532946.db2.gz KGFMHGGDFBBPSN-OAQYLSRUSA-N 0 3 399.487 3.638 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000802657199 922315357 /nfs/dbraw/zinc/31/53/57/922315357.db2.gz YBBSIVANYQRANO-FQEVSTJZSA-N 0 3 390.321 3.989 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000802657199 922315360 /nfs/dbraw/zinc/31/53/60/922315360.db2.gz YBBSIVANYQRANO-FQEVSTJZSA-N 0 3 390.321 3.989 20 10 GHCDHN CCN(CC)c1ccc(CNc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000802762087 922386317 /nfs/dbraw/zinc/38/63/17/922386317.db2.gz VQTUDOIBNUCWCB-UHFFFAOYSA-N 0 3 394.563 3.971 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827376645 925385466 /nfs/dbraw/zinc/38/54/66/925385466.db2.gz GPEYTMDRCZGLOY-CJNGLKHVSA-N 0 3 384.314 3.944 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[O-] ZINC000827376645 925385476 /nfs/dbraw/zinc/38/54/76/925385476.db2.gz GPEYTMDRCZGLOY-CJNGLKHVSA-N 0 3 384.314 3.944 20 10 GHCDHN CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000827554324 925816391 /nfs/dbraw/zinc/81/63/91/925816391.db2.gz CNIHOVADPJDPHO-SFHVURJKSA-N 0 3 382.504 3.708 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000373406956 926090702 /nfs/dbraw/zinc/09/07/02/926090702.db2.gz JZICICFXTNRCCM-QGZVFWFLSA-N 0 3 392.927 3.669 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000373406956 926090706 /nfs/dbraw/zinc/09/07/06/926090706.db2.gz JZICICFXTNRCCM-QGZVFWFLSA-N 0 3 392.927 3.669 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000382534987 926353515 /nfs/dbraw/zinc/35/35/15/926353515.db2.gz NTIQDQZZDPYEQV-LSDHHAIUSA-N 0 3 384.904 3.980 20 10 GHCDHN COCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000383515118 926357103 /nfs/dbraw/zinc/35/71/03/926357103.db2.gz GGXCGDJDBPIEBE-INIZCTEOSA-N 0 3 378.513 3.707 20 10 GHCDHN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000753531908 929392638 /nfs/dbraw/zinc/39/26/38/929392638.db2.gz SDBOBIZPBMAIDS-OAQYLSRUSA-N 0 3 382.504 3.804 20 10 GHCDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753531908 929392651 /nfs/dbraw/zinc/39/26/51/929392651.db2.gz SDBOBIZPBMAIDS-OAQYLSRUSA-N 0 3 382.504 3.804 20 10 GHCDHN CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753531908 929392661 /nfs/dbraw/zinc/39/26/61/929392661.db2.gz SDBOBIZPBMAIDS-OAQYLSRUSA-N 0 3 382.504 3.804 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000753589131 929432377 /nfs/dbraw/zinc/43/23/77/929432377.db2.gz JAZRBGFNDQYOIC-ZMSDIMECSA-N 0 3 376.497 3.526 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000753589131 929432384 /nfs/dbraw/zinc/43/23/84/929432384.db2.gz JAZRBGFNDQYOIC-ZMSDIMECSA-N 0 3 376.497 3.526 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1[O-] ZINC000783504995 931566190 /nfs/dbraw/zinc/56/61/90/931566190.db2.gz PTVKEHYHNHECHL-DLBZAZTESA-N 0 3 388.533 3.664 20 10 GHCDHN COc1ccc2c(c1)CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])CC2 ZINC000784679795 931977154 /nfs/dbraw/zinc/97/71/54/931977154.db2.gz NCTAOIKIWIUYAV-UHFFFAOYSA-N 0 3 392.293 3.773 20 10 GHCDHN COc1ccc2c(c1)CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])CC2 ZINC000784679795 931977158 /nfs/dbraw/zinc/97/71/58/931977158.db2.gz NCTAOIKIWIUYAV-UHFFFAOYSA-N 0 3 392.293 3.773 20 10 GHCDHN c1ccc(CCN(Cc2ccc(N3CCOCC3)cc2)Cc2cccnc2)nc1 ZINC000797605535 932342128 /nfs/dbraw/zinc/34/21/28/932342128.db2.gz PUFRPLZKDOTBHH-UHFFFAOYSA-N 0 3 388.515 3.558 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000927070081 932399575 /nfs/dbraw/zinc/39/95/75/932399575.db2.gz NNRFKORUZQBCFA-BZNIZROVSA-N 0 3 382.302 3.945 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3cccc4ncccc34)CC2)cc1 ZINC001137630903 935646363 /nfs/dbraw/zinc/64/63/63/935646363.db2.gz VDRFQNKFHSKSRH-UHFFFAOYSA-N 0 3 377.488 3.582 20 10 GHCDHN [O-]c1cccc(F)c1C[N@@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001137835332 935814858 /nfs/dbraw/zinc/81/48/58/935814858.db2.gz DINKIVUAABBXGX-FQEVSTJZSA-N 0 3 391.437 3.660 20 10 GHCDHN [O-]c1cccc(F)c1C[N@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001137835332 935814862 /nfs/dbraw/zinc/81/48/62/935814862.db2.gz DINKIVUAABBXGX-FQEVSTJZSA-N 0 3 391.437 3.660 20 10 GHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CCn3c(-c4ccccc4)cnc32)CC1 ZINC001204274086 1032716591 /nfs/dbraw/zinc/71/65/91/1032716591.db2.gz HXIVDBCAVILINW-UHFFFAOYSA-N 0 3 375.472 3.899 20 10 GHCDHN O=C1c2cccc(F)c2CN1[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329338 1032771324 /nfs/dbraw/zinc/77/13/24/1032771324.db2.gz MSRLNRKFXOCVRV-LJQANCHMSA-N 0 3 379.479 3.656 20 10 GHCDHN CN(Cc1ccc(N2CCCC2)cc1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001204329145 1032771375 /nfs/dbraw/zinc/77/13/75/1032771375.db2.gz YRSTUYAMZYWNTO-DEOSSOPVSA-N 0 3 379.548 3.620 20 10 GHCDHN CCc1ccc(CN2CCC[C@]3(C2)COCCN(c2ccc(OC)cc2)C3)o1 ZINC001204391945 1032818229 /nfs/dbraw/zinc/81/82/29/1032818229.db2.gz VVNLQHUKAUQWLI-HSZRJFAPSA-N 0 3 384.520 3.970 20 10 GHCDHN COc1cc(Br)cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000246205793 1021045951 /nfs/dbraw/zinc/04/59/51/1021045951.db2.gz MDGBWFAFKIIIJU-HUUCEWRRSA-N 0 3 396.281 3.844 20 10 GHCDHN COc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc(Br)c1OC ZINC000834640696 1021339560 /nfs/dbraw/zinc/33/95/60/1021339560.db2.gz QPQWQEMTSZFMMS-AWEZNQCLSA-N 0 3 378.266 3.949 20 10 GHCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccc(C(F)(F)F)cc1 ZINC000834650550 1021343326 /nfs/dbraw/zinc/34/33/26/1021343326.db2.gz NPBQEJPJDOKRSI-HOTGVXAUSA-N 0 3 376.378 3.793 20 10 GHCDHN COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2ccccc2[O-])cc1Br ZINC000834898428 1021643879 /nfs/dbraw/zinc/64/38/79/1021643879.db2.gz CVODTAMVIBCUDO-ZFWWWQNUSA-N 0 3 394.309 3.665 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000835025958 1021782125 /nfs/dbraw/zinc/78/21/25/1021782125.db2.gz PAVXQAGTFWVFBO-ARJAWSKDSA-N 0 3 381.495 3.799 20 10 GHCDHN Cc1ccc(O)c(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1 ZINC001140621804 1022094439 /nfs/dbraw/zinc/09/44/39/1022094439.db2.gz PWXPPMXXHIQDFD-JTHBVZDNSA-N 0 3 382.504 3.684 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c(Cl)c1 ZINC001140924620 1022901263 /nfs/dbraw/zinc/90/12/63/1022901263.db2.gz SLHMOYPCMOPKKD-OSYLJGHBSA-N 0 3 375.944 3.533 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000754832644 1022920565 /nfs/dbraw/zinc/92/05/65/1022920565.db2.gz INBRICCJVQHPAQ-YLJYHZDGSA-N 0 3 392.858 3.645 20 10 GHCDHN Cc1cc(O[C@H]2CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)ncn1 ZINC001141079235 1023445075 /nfs/dbraw/zinc/44/50/75/1023445075.db2.gz XVYHJUUCCRGKGA-NRFANRHFSA-N 0 3 378.520 3.527 20 10 GHCDHN C[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000756071694 1023509299 /nfs/dbraw/zinc/50/92/99/1023509299.db2.gz OECHIHFUNBSCDC-LSDHHAIUSA-N 0 3 397.947 3.740 20 10 GHCDHN C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756682501 1023772129 /nfs/dbraw/zinc/77/21/29/1023772129.db2.gz DSZFWIOIUWZXBL-IFXJQAMLSA-N 0 3 378.875 3.909 20 10 GHCDHN Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c([O-])c1O ZINC000837090927 1024010455 /nfs/dbraw/zinc/01/04/55/1024010455.db2.gz AEVLBCLBOZJWGS-UHFFFAOYSA-N 0 3 390.867 3.785 20 10 GHCDHN COc1cc(Cl)cc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC001204992622 1033198162 /nfs/dbraw/zinc/19/81/62/1033198162.db2.gz JENNFHHZQJALOO-OAHLLOKOSA-N 0 3 399.249 3.742 20 10 GHCDHN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(N4CCCCC4)cc3)O2)n1 ZINC001138216952 1024385806 /nfs/dbraw/zinc/38/58/06/1024385806.db2.gz QRIXWLYRNOIXOR-NJDAHSKKSA-N 0 3 382.508 3.863 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220382 1024394620 /nfs/dbraw/zinc/39/46/20/1024394620.db2.gz ACWXZBUZNSQSOQ-NRFANRHFSA-N 0 3 387.568 3.573 20 10 GHCDHN c1ccc(COC2CC3(C2)CN(Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC001138499203 1024931879 /nfs/dbraw/zinc/93/18/79/1024931879.db2.gz CTIHDELFWWCFJN-UHFFFAOYSA-N 0 3 378.516 3.704 20 10 GHCDHN C[C@]1(F)CCCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676190 1025201309 /nfs/dbraw/zinc/20/13/09/1025201309.db2.gz CUCYKAABOOJTBZ-SFHVURJKSA-N 0 3 385.321 4.000 20 10 GHCDHN CN(Cc1cccc(O)c1)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676465 1025202293 /nfs/dbraw/zinc/20/22/93/1025202293.db2.gz KELUGQJRBIGVIM-UHFFFAOYSA-N 0 3 391.309 3.623 20 10 GHCDHN CCOc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000838788555 1025365932 /nfs/dbraw/zinc/36/59/32/1025365932.db2.gz NLDQJZAKAOZURE-UHFFFAOYSA-N 0 3 390.911 3.913 20 10 GHCDHN CCOc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000838788555 1025365945 /nfs/dbraw/zinc/36/59/45/1025365945.db2.gz NLDQJZAKAOZURE-UHFFFAOYSA-N 0 3 390.911 3.913 20 10 GHCDHN Cc1cc(C)c(C(=O)CCCC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000832273591 1025399910 /nfs/dbraw/zinc/39/99/10/1025399910.db2.gz OYMKNSWRMBDFIQ-OAQYLSRUSA-N 0 3 395.547 3.847 20 10 GHCDHN CN(C)c1ccc([C@@H](N)CNC(=O)CC(C)(C)CC(=O)c2ccccc2)cc1 ZINC000832285519 1025407201 /nfs/dbraw/zinc/40/72/01/1025407201.db2.gz RKMBHEBTHQXTRB-FQEVSTJZSA-N 0 3 381.520 3.558 20 10 GHCDHN CCOCc1cc(CN[C@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC ZINC001461017059 1069338215 /nfs/dbraw/zinc/33/82/15/1069338215.db2.gz LAOSZAZWHOUPMY-HSZRJFAPSA-N 0 3 398.547 3.703 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001139387312 1026253229 /nfs/dbraw/zinc/25/32/29/1026253229.db2.gz BQEPIPOKMHCSCC-RTBURBONSA-N 0 3 382.552 3.783 20 10 GHCDHN COc1cc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc1OC ZINC001163729179 1026297802 /nfs/dbraw/zinc/29/78/02/1026297802.db2.gz QNFHAIKGLPYDPR-FQEVSTJZSA-N 0 3 399.491 3.959 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3cc(F)cc(N(C)C)c3)CC2)cc1 ZINC001164329482 1026487205 /nfs/dbraw/zinc/48/72/05/1026487205.db2.gz AKVRNZBHLSHTOL-UHFFFAOYSA-N 0 3 386.515 3.525 20 10 GHCDHN O=C1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)N1Cc1cccc(F)c1 ZINC001140053750 1026832379 /nfs/dbraw/zinc/83/23/79/1026832379.db2.gz BSJZJACTBHNKBW-UHFFFAOYSA-N 0 3 386.442 3.828 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001140054622 1026834300 /nfs/dbraw/zinc/83/43/00/1026834300.db2.gz UAEHITUZKNDBMR-SFHVURJKSA-N 0 3 386.467 3.624 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140055218 1026834914 /nfs/dbraw/zinc/83/49/14/1026834914.db2.gz BPVCZCKIBJQYGV-YADHBBJMSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140055218 1026834922 /nfs/dbraw/zinc/83/49/22/1026834922.db2.gz BPVCZCKIBJQYGV-YADHBBJMSA-N 0 3 386.467 3.514 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4ccccc4[O-])C[C@H]2C3)c1 ZINC001203551965 1027430220 /nfs/dbraw/zinc/43/02/20/1027430220.db2.gz VIFKCHMJBALDKR-MJGOQNOKSA-N 0 3 375.472 3.573 20 10 GHCDHN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4ccccc4[O-])C[C@H]2C3)c1 ZINC001203551965 1027430226 /nfs/dbraw/zinc/43/02/26/1027430226.db2.gz VIFKCHMJBALDKR-MJGOQNOKSA-N 0 3 375.472 3.573 20 10 GHCDHN COc1cccc(CN2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)c1O ZINC001203600180 1027464527 /nfs/dbraw/zinc/46/45/27/1027464527.db2.gz VQEADBIWRSSINZ-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203621276 1027484620 /nfs/dbraw/zinc/48/46/20/1027484620.db2.gz QWUXYDXUEDMMOS-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001203621276 1027484628 /nfs/dbraw/zinc/48/46/28/1027484628.db2.gz QWUXYDXUEDMMOS-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN COC(=O)c1ccc(CN2CCN(Cc3cc(Cl)ccc3O)[C@@H](C)C2)cc1 ZINC001203664311 1027516262 /nfs/dbraw/zinc/51/62/62/1027516262.db2.gz XXCUPZPRXOJSBY-HNNXBMFYSA-N 0 3 388.895 3.539 20 10 GHCDHN CCOc1cccc(CNCc2cc(Cl)cc(S(=O)(=O)CC)c2)c1O ZINC000840956260 1027985598 /nfs/dbraw/zinc/98/55/98/1027985598.db2.gz NKVSAWNDCLTCBF-UHFFFAOYSA-N 0 3 383.897 3.528 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCc3cc(N)ccc32)c1[O-] ZINC000841058306 1028078420 /nfs/dbraw/zinc/07/84/20/1028078420.db2.gz PHUJFFCFJHHKME-INIZCTEOSA-N 0 3 377.282 3.913 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]Cc2cccc3c2CCCN3)c1[O-] ZINC000841082302 1028106768 /nfs/dbraw/zinc/10/67/68/1028106768.db2.gz DHORXMGRBYQCOW-UHFFFAOYSA-N 0 3 377.282 3.811 20 10 GHCDHN Cc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nc1 ZINC001461401901 1069535109 /nfs/dbraw/zinc/53/51/09/1069535109.db2.gz SGTUHXSIOPUMFA-HXUWFJFHSA-N 0 3 384.524 3.812 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512846 1029017224 /nfs/dbraw/zinc/01/72/24/1029017224.db2.gz NINWLJMUXBSVTA-INIZCTEOSA-N 0 3 392.446 3.519 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2c(F)cc(F)cc2F)N(C)C)cc1 ZINC001215517485 1029250489 /nfs/dbraw/zinc/25/04/89/1029250489.db2.gz FGRFUGTVYZUAQI-KRWDZBQOSA-N 0 3 380.414 3.594 20 10 GHCDHN CCCOc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001215945701 1029466523 /nfs/dbraw/zinc/46/65/23/1029466523.db2.gz CJDPAKZMQNIBDZ-NRFANRHFSA-N 0 3 384.524 3.966 20 10 GHCDHN CC(C)(C)c1cccc(CN2CCN(c3cccc4c3OCCO4)CC2)c1O ZINC001143110754 1029848346 /nfs/dbraw/zinc/84/83/46/1029848346.db2.gz NOFUTHGXNKZBBH-UHFFFAOYSA-N 0 3 382.504 3.783 20 10 GHCDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843433381 1030003837 /nfs/dbraw/zinc/00/38/37/1030003837.db2.gz ZJSARTDGCBRZGO-LJQANCHMSA-N 0 3 378.394 3.560 20 10 GHCDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843433381 1030003856 /nfs/dbraw/zinc/00/38/56/1030003856.db2.gz ZJSARTDGCBRZGO-LJQANCHMSA-N 0 3 378.394 3.560 20 10 GHCDHN CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959742 1030949927 /nfs/dbraw/zinc/94/99/27/1030949927.db2.gz XHAVTRPXPBGYBG-LJQANCHMSA-N 0 3 395.341 3.688 20 10 GHCDHN CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959742 1030949928 /nfs/dbraw/zinc/94/99/28/1030949928.db2.gz XHAVTRPXPBGYBG-LJQANCHMSA-N 0 3 395.341 3.688 20 10 GHCDHN COc1ccc(C[NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC001205517906 1033449578 /nfs/dbraw/zinc/44/95/78/1033449578.db2.gz XRQLDDVZWSDHGR-INIZCTEOSA-N 0 3 396.487 3.736 20 10 GHCDHN Cc1ccc(C[C@H](N)C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c(C)c1 ZINC001157436142 1033588534 /nfs/dbraw/zinc/58/85/34/1033588534.db2.gz ZNMIYGVPARLDJC-UGKGYDQZSA-N 0 3 380.532 3.935 20 10 GHCDHN CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427737 1033767974 /nfs/dbraw/zinc/76/79/74/1033767974.db2.gz VRWMGWBLRKOWNP-KUHUBIRLSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277427737 1033767990 /nfs/dbraw/zinc/76/79/90/1033767990.db2.gz VRWMGWBLRKOWNP-KUHUBIRLSA-N 0 3 395.341 3.686 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001207101693 1034093047 /nfs/dbraw/zinc/09/30/47/1034093047.db2.gz IJFKVGLXXSMDGH-MRXNPFEDSA-N 0 3 378.513 3.979 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001207101693 1034093066 /nfs/dbraw/zinc/09/30/66/1034093066.db2.gz IJFKVGLXXSMDGH-MRXNPFEDSA-N 0 3 378.513 3.979 20 10 GHCDHN COc1ccc(Br)c(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC001231553296 1034706482 /nfs/dbraw/zinc/70/64/82/1034706482.db2.gz TZHNEOALSYYQRA-AWEZNQCLSA-N 0 3 396.256 3.956 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@]12CCC(=O)N2CCOC ZINC001231587205 1034739859 /nfs/dbraw/zinc/73/98/59/1034739859.db2.gz LORLTENTGNJGMY-UPVQGACJSA-N 0 3 396.531 3.927 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@]12CCC(=O)N2CCOC ZINC001231587205 1034739870 /nfs/dbraw/zinc/73/98/70/1034739870.db2.gz LORLTENTGNJGMY-UPVQGACJSA-N 0 3 396.531 3.927 20 10 GHCDHN COC(=O)c1ccc(CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC001231590114 1034743562 /nfs/dbraw/zinc/74/35/62/1034743562.db2.gz KGTQBNRYJBMNHQ-UHFFFAOYSA-N 0 3 390.483 3.650 20 10 GHCDHN c1ccc(COc2ccc(N3CCN(CCCC4OCCO4)CC3)cc2)cc1 ZINC001209310121 1035237722 /nfs/dbraw/zinc/23/77/22/1035237722.db2.gz AICCQWSUBJGVJH-UHFFFAOYSA-N 0 3 382.504 3.541 20 10 GHCDHN COc1cc(I)cc(CN(C)Cc2ccsc2)c1O ZINC001248401079 1035814192 /nfs/dbraw/zinc/81/41/92/1035814192.db2.gz LOUUBXNVBZJXAN-UHFFFAOYSA-N 0 3 389.258 3.699 20 10 GHCDHN CCN(Cc1cnn2cc(Br)cc(OC)c12)Cc1ccccc1O ZINC001233026281 1038778572 /nfs/dbraw/zinc/77/85/72/1038778572.db2.gz RMBVGQBLCNURNO-UHFFFAOYSA-N 0 3 390.281 3.833 20 10 GHCDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001233105907 1038891895 /nfs/dbraw/zinc/89/18/95/1038891895.db2.gz DHOOGLRPIMLAEW-CQSZACIVSA-N 0 3 383.330 3.544 20 10 GHCDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001233105907 1038891918 /nfs/dbraw/zinc/89/19/18/1038891918.db2.gz DHOOGLRPIMLAEW-CQSZACIVSA-N 0 3 383.330 3.544 20 10 GHCDHN COC[C@H]1COCCC12CC[NH+](Cc1cc(Br)cc(C)c1[O-])CC2 ZINC001233109076 1038900079 /nfs/dbraw/zinc/90/00/79/1038900079.db2.gz SXBGVBKJWRSFOY-INIZCTEOSA-N 0 3 398.341 3.728 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC001233197495 1038963028 /nfs/dbraw/zinc/96/30/28/1038963028.db2.gz JFJMRXAOGBFGMH-INIZCTEOSA-N 0 3 375.310 3.978 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCN2CCCC[C@H]2C1 ZINC001233197495 1038963029 /nfs/dbraw/zinc/96/30/29/1038963029.db2.gz JFJMRXAOGBFGMH-INIZCTEOSA-N 0 3 375.310 3.978 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2Cc2cc(O)c(O)cc2O)C1 ZINC001233482933 1039378794 /nfs/dbraw/zinc/37/87/94/1039378794.db2.gz HZFYCOBHTAPVQK-NRFANRHFSA-N 0 3 392.496 3.559 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761523 1039595844 /nfs/dbraw/zinc/59/58/44/1039595844.db2.gz VDGHYGRXOSMWCB-GFCCVEGCSA-N 0 3 390.402 3.637 20 10 GHCDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761523 1039595853 /nfs/dbraw/zinc/59/58/53/1039595853.db2.gz VDGHYGRXOSMWCB-GFCCVEGCSA-N 0 3 390.402 3.637 20 10 GHCDHN O=C1OC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)c2ccccc21 ZINC001233761697 1039596027 /nfs/dbraw/zinc/59/60/27/1039596027.db2.gz XLBPNZZOURBLIS-UHFFFAOYSA-N 0 3 393.361 3.953 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1C ZINC001233775862 1039605497 /nfs/dbraw/zinc/60/54/97/1039605497.db2.gz FHEIIBLGHWPRNL-CHWSQXEVSA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1C ZINC001233775862 1039605508 /nfs/dbraw/zinc/60/55/08/1039605508.db2.gz FHEIIBLGHWPRNL-CHWSQXEVSA-N 0 3 375.387 3.702 20 10 GHCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253427551 1039625300 /nfs/dbraw/zinc/62/53/00/1039625300.db2.gz RVUPKXKXWHJPEC-HXUWFJFHSA-N 0 3 385.504 3.730 20 10 GHCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253427551 1039625302 /nfs/dbraw/zinc/62/53/02/1039625302.db2.gz RVUPKXKXWHJPEC-HXUWFJFHSA-N 0 3 385.504 3.730 20 10 GHCDHN CCN(Cc1ccn(S(=O)(=O)c2ccc(C)cc2)c1)Cc1ccccc1O ZINC001233823954 1039645604 /nfs/dbraw/zinc/64/56/04/1039645604.db2.gz HSYCTQFIKLMKEX-UHFFFAOYSA-N 0 3 384.501 3.761 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(Cc4ccncc4)CC3)c2c1 ZINC001234518364 1040095403 /nfs/dbraw/zinc/09/54/03/1040095403.db2.gz IEEGSWYAUBPVFD-UHFFFAOYSA-N 0 3 377.488 3.657 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(Cc4ccncc4)CC3)c2c1 ZINC001234518364 1040095418 /nfs/dbraw/zinc/09/54/18/1040095418.db2.gz IEEGSWYAUBPVFD-UHFFFAOYSA-N 0 3 377.488 3.657 20 10 GHCDHN CCN(CC)C(=O)NC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC001234569726 1040137013 /nfs/dbraw/zinc/13/70/13/1040137013.db2.gz RGPGAWBXRUPISQ-UHFFFAOYSA-N 0 3 385.508 3.570 20 10 GHCDHN CCN1CCN(c2ccc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001234657136 1040192641 /nfs/dbraw/zinc/19/26/41/1040192641.db2.gz BETQCNFPDJDULF-HXUWFJFHSA-N 0 3 389.540 3.607 20 10 GHCDHN COc1ccc(N2CCN(C3CCN(c4ccc(F)cc4)CC3)CC2)c(C)c1 ZINC001254633874 1040411164 /nfs/dbraw/zinc/41/11/64/1040411164.db2.gz WXGXOZPALCBNAC-UHFFFAOYSA-N 0 3 383.511 3.934 20 10 GHCDHN COc1cnc(O[C@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)nc1 ZINC001234998236 1040491778 /nfs/dbraw/zinc/49/17/78/1040491778.db2.gz IOCSBKFLTQNXHW-SFHVURJKSA-N 0 3 377.444 3.511 20 10 GHCDHN COc1cnc(O[C@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)nc1 ZINC001234998236 1040491785 /nfs/dbraw/zinc/49/17/85/1040491785.db2.gz IOCSBKFLTQNXHW-SFHVURJKSA-N 0 3 377.444 3.511 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996875 1040491886 /nfs/dbraw/zinc/49/18/86/1040491886.db2.gz OFOGFEQLSIKXFX-HXUWFJFHSA-N 0 3 396.531 3.955 20 10 GHCDHN CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996875 1040491898 /nfs/dbraw/zinc/49/18/98/1040491898.db2.gz OFOGFEQLSIKXFX-HXUWFJFHSA-N 0 3 396.531 3.955 20 10 GHCDHN COc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001255140508 1040847236 /nfs/dbraw/zinc/84/72/36/1040847236.db2.gz NTEUFTVABWHEAR-UWJYYQICSA-N 0 3 398.551 3.733 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001235681728 1041146674 /nfs/dbraw/zinc/14/66/74/1041146674.db2.gz JQZQNWMASQGZPC-BGYRXZFFSA-N 0 3 378.516 3.894 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c([O-])c1 ZINC001235681728 1041146687 /nfs/dbraw/zinc/14/66/87/1041146687.db2.gz JQZQNWMASQGZPC-BGYRXZFFSA-N 0 3 378.516 3.894 20 10 GHCDHN Cc1cc([O-])c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)cc1Br ZINC001236130766 1041559744 /nfs/dbraw/zinc/55/97/44/1041559744.db2.gz VWNSCBUGEGUKIF-QGZVFWFLSA-N 0 3 379.273 3.749 20 10 GHCDHN COc1cc(CNCC(=O)Nc2ccc(F)c(F)c2)c(O)c(C(C)(C)C)c1 ZINC001462560566 1070363709 /nfs/dbraw/zinc/36/37/09/1070363709.db2.gz ZFZCCBRYQXGSED-UHFFFAOYSA-N 0 3 378.419 3.705 20 10 GHCDHN CCC(=O)N(c1ccccc1)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236749552 1041871822 /nfs/dbraw/zinc/87/18/22/1041871822.db2.gz GVVOWEGTJSDFAF-UHFFFAOYSA-N 0 3 398.503 3.817 20 10 GHCDHN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236763053 1041877905 /nfs/dbraw/zinc/87/79/05/1041877905.db2.gz VINKBPQXCOCUAC-GFCCVEGCSA-N 0 3 380.282 3.932 20 10 GHCDHN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236763053 1041877911 /nfs/dbraw/zinc/87/79/11/1041877911.db2.gz VINKBPQXCOCUAC-GFCCVEGCSA-N 0 3 380.282 3.932 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c([O-])c1 ZINC001236786457 1041891812 /nfs/dbraw/zinc/89/18/12/1041891812.db2.gz DOMOZMGDGMZISY-QHCPKHFHSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c([O-])c1 ZINC001236786457 1041891819 /nfs/dbraw/zinc/89/18/19/1041891819.db2.gz DOMOZMGDGMZISY-QHCPKHFHSA-N 0 3 379.504 3.507 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788712 1041894289 /nfs/dbraw/zinc/89/42/89/1041894289.db2.gz NPBHUJSICOSGEX-ZEQRLZLVSA-N 0 3 396.531 3.938 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001236788712 1041894300 /nfs/dbraw/zinc/89/43/00/1041894300.db2.gz NPBHUJSICOSGEX-ZEQRLZLVSA-N 0 3 396.531 3.938 20 10 GHCDHN COc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c([O-])c1Cl ZINC001236802933 1041904709 /nfs/dbraw/zinc/90/47/09/1041904709.db2.gz WRMLWVBGIIZFGI-HUUCEWRRSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1ccc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c([O-])c1Cl ZINC001236802933 1041904714 /nfs/dbraw/zinc/90/47/14/1041904714.db2.gz WRMLWVBGIIZFGI-HUUCEWRRSA-N 0 3 378.925 3.680 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001236808297 1041908642 /nfs/dbraw/zinc/90/86/42/1041908642.db2.gz OWANIWKOGYCHSK-HOTGVXAUSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC001236808297 1041908643 /nfs/dbraw/zinc/90/86/43/1041908643.db2.gz OWANIWKOGYCHSK-HOTGVXAUSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809510 1041910262 /nfs/dbraw/zinc/91/02/62/1041910262.db2.gz WZMYQYLQWVLIRA-QVKFZJNVSA-N 0 3 376.497 3.588 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809510 1041910263 /nfs/dbraw/zinc/91/02/63/1041910263.db2.gz WZMYQYLQWVLIRA-QVKFZJNVSA-N 0 3 376.497 3.588 20 10 GHCDHN Cn1cc(CN2CCCC23CC[NH+](Cc2cc4ccccc4cc2[O-])CC3)cn1 ZINC001236832096 1041921506 /nfs/dbraw/zinc/92/15/06/1041921506.db2.gz KBMUKNCKZGEKGV-UHFFFAOYSA-N 0 3 390.531 3.910 20 10 GHCDHN Oc1cc2ccccc2cc1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001236831216 1041921588 /nfs/dbraw/zinc/92/15/88/1041921588.db2.gz GBPJMEGBQQFZLD-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001236833692 1041922122 /nfs/dbraw/zinc/92/21/22/1041922122.db2.gz XETJYGAQBAYVHM-CVDCTZTESA-N 0 3 394.446 3.892 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001236833692 1041922124 /nfs/dbraw/zinc/92/21/24/1041922124.db2.gz XETJYGAQBAYVHM-CVDCTZTESA-N 0 3 394.446 3.892 20 10 GHCDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1C ZINC001236927776 1041961568 /nfs/dbraw/zinc/96/15/68/1041961568.db2.gz WKCZBMZWAWIUHC-IAGOWNOFSA-N 0 3 394.943 3.588 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c([O-])c1 ZINC001237040173 1042000650 /nfs/dbraw/zinc/00/06/50/1042000650.db2.gz FKSFTGGKLGVSQJ-QUCCMNQESA-N 0 3 389.499 3.963 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c([O-])c1 ZINC001237040173 1042000655 /nfs/dbraw/zinc/00/06/55/1042000655.db2.gz FKSFTGGKLGVSQJ-QUCCMNQESA-N 0 3 389.499 3.963 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001237041493 1042001758 /nfs/dbraw/zinc/00/17/58/1042001758.db2.gz MFTHQAQRVFKWHZ-TZYHBYERSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c([O-])c1 ZINC001237041493 1042001759 /nfs/dbraw/zinc/00/17/59/1042001759.db2.gz MFTHQAQRVFKWHZ-TZYHBYERSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043486 1042003750 /nfs/dbraw/zinc/00/37/50/1042003750.db2.gz GMSAMDMOTPWMHM-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237043486 1042003761 /nfs/dbraw/zinc/00/37/61/1042003761.db2.gz GMSAMDMOTPWMHM-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c([O-])c1 ZINC001237044954 1042005010 /nfs/dbraw/zinc/00/50/10/1042005010.db2.gz VZJMQVMODLMWEP-UHFFFAOYSA-N 0 3 395.425 3.917 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c([O-])c1 ZINC001237044954 1042005014 /nfs/dbraw/zinc/00/50/14/1042005014.db2.gz VZJMQVMODLMWEP-UHFFFAOYSA-N 0 3 395.425 3.917 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c([O-])c1 ZINC001237048012 1042006293 /nfs/dbraw/zinc/00/62/93/1042006293.db2.gz AAZHCDKQUTZSIQ-UHFFFAOYSA-N 0 3 394.515 3.914 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c([O-])c1 ZINC001237048331 1042007685 /nfs/dbraw/zinc/00/76/85/1042007685.db2.gz KDLWOFITVASTNK-FYYLOGMGSA-N 0 3 382.504 3.576 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c([O-])c1 ZINC001237048331 1042007690 /nfs/dbraw/zinc/00/76/90/1042007690.db2.gz KDLWOFITVASTNK-FYYLOGMGSA-N 0 3 382.504 3.576 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c([O-])c1 ZINC001237048129 1042007946 /nfs/dbraw/zinc/00/79/46/1042007946.db2.gz AVRFABAGCNMDEC-UHFFFAOYSA-N 0 3 384.520 3.976 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C(C)C)cc4[O-])C[C@@H]3C2=O)c1 ZINC001237048626 1042008256 /nfs/dbraw/zinc/00/82/56/1042008256.db2.gz LUYKPDLDUIUJOO-VXKWHMMOSA-N 0 3 378.516 3.914 20 10 GHCDHN Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc(C(C)C)cc4[O-])C[C@@H]3C2=O)c1 ZINC001237048626 1042008262 /nfs/dbraw/zinc/00/82/62/1042008262.db2.gz LUYKPDLDUIUJOO-VXKWHMMOSA-N 0 3 378.516 3.914 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001237049502 1042008974 /nfs/dbraw/zinc/00/89/74/1042008974.db2.gz GXVADYHUHLYDQG-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c([O-])c1 ZINC001237049502 1042008982 /nfs/dbraw/zinc/00/89/82/1042008982.db2.gz GXVADYHUHLYDQG-CVEARBPZSA-N 0 3 378.513 3.916 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001237054058 1042011667 /nfs/dbraw/zinc/01/16/67/1042011667.db2.gz UOXFMGARJPAIDR-UHFFFAOYSA-N 0 3 381.341 3.724 20 10 GHCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237053844 1042011943 /nfs/dbraw/zinc/01/19/43/1042011943.db2.gz RGKYMCMETIDBFV-GOSISDBHSA-N 0 3 389.414 3.889 20 10 GHCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237053844 1042011947 /nfs/dbraw/zinc/01/19/47/1042011947.db2.gz RGKYMCMETIDBFV-GOSISDBHSA-N 0 3 389.414 3.889 20 10 GHCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCN(c2cccc(F)c2)CC1 ZINC001237064000 1042016919 /nfs/dbraw/zinc/01/69/19/1042016919.db2.gz XAFOHZGHIJZBCY-UHFFFAOYSA-N 0 3 384.373 3.795 20 10 GHCDHN CC(C)(C)N(Cc1ccccc1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202460 1042090337 /nfs/dbraw/zinc/09/03/37/1042090337.db2.gz HMICOWPGOVCKDO-UHFFFAOYSA-N 0 3 386.561 3.722 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4c(C)cccc4[O-])C3)C2)cc1 ZINC001237486094 1042229787 /nfs/dbraw/zinc/22/97/87/1042229787.db2.gz NWHPLHXJYKGGIC-DEOSSOPVSA-N 0 3 396.531 3.828 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4c(C)cccc4[O-])C3)C2)cc1 ZINC001237486094 1042229793 /nfs/dbraw/zinc/22/97/93/1042229793.db2.gz NWHPLHXJYKGGIC-DEOSSOPVSA-N 0 3 396.531 3.828 20 10 GHCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237641018 1042300156 /nfs/dbraw/zinc/30/01/56/1042300156.db2.gz KGAVWHBNMZGDLN-QFBILLFUSA-N 0 3 390.458 3.979 20 10 GHCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237641018 1042300162 /nfs/dbraw/zinc/30/01/62/1042300162.db2.gz KGAVWHBNMZGDLN-QFBILLFUSA-N 0 3 390.458 3.979 20 10 GHCDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237677804 1042318642 /nfs/dbraw/zinc/31/86/42/1042318642.db2.gz OQKIQGZNUPOGJT-CQSZACIVSA-N 0 3 383.330 3.544 20 10 GHCDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237677804 1042318643 /nfs/dbraw/zinc/31/86/43/1042318643.db2.gz OQKIQGZNUPOGJT-CQSZACIVSA-N 0 3 383.330 3.544 20 10 GHCDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(Br)c(C)cc1O)C2 ZINC001237684178 1042324482 /nfs/dbraw/zinc/32/44/82/1042324482.db2.gz SCOWXJBCBIMEQA-MAUKXSAKSA-N 0 3 384.314 3.623 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1[O-] ZINC001237686823 1042326396 /nfs/dbraw/zinc/32/63/96/1042326396.db2.gz TURFPXFZFIFRLV-LJQANCHMSA-N 0 3 384.907 3.992 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3C)CC2)c1[O-] ZINC001237686892 1042327267 /nfs/dbraw/zinc/32/72/67/1042327267.db2.gz UXUVPANESCUXDE-IBGZPJMESA-N 0 3 399.922 3.730 20 10 GHCDHN COc1ccc(CC[C@H](C)N2CCN(c3ccc(OC)cc3OC)CC2)cc1 ZINC001258405193 1044542605 /nfs/dbraw/zinc/54/26/05/1044542605.db2.gz CKRYVVCFVBPPSR-SFHVURJKSA-N 0 3 384.520 3.856 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1C ZINC001261798268 1046097554 /nfs/dbraw/zinc/09/75/54/1046097554.db2.gz GLMKKEQXJJIEGU-OAQYLSRUSA-N 0 3 379.504 3.524 20 10 GHCDHN CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676653 1047910591 /nfs/dbraw/zinc/91/05/91/1047910591.db2.gz KKWKYJSOTSMDES-IBGZPJMESA-N 0 3 386.367 3.549 20 10 GHCDHN CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676653 1047910595 /nfs/dbraw/zinc/91/05/95/1047910595.db2.gz KKWKYJSOTSMDES-IBGZPJMESA-N 0 3 386.367 3.549 20 10 GHCDHN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)on2)cc1 ZINC001463283827 1070962525 /nfs/dbraw/zinc/96/25/25/1070962525.db2.gz QIDDWKSUAWWYLT-NRFANRHFSA-N 0 3 392.503 3.749 20 10 GHCDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001307961436 1049724383 /nfs/dbraw/zinc/72/43/83/1049724383.db2.gz QMUFALQWVSFKRN-MOPGFXCFSA-N 0 3 380.448 3.972 20 10 GHCDHN COc1ccc(F)cc1[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308205733 1049912382 /nfs/dbraw/zinc/91/23/82/1049912382.db2.gz DVKBKMQRLKWAIX-HNNXBMFYSA-N 0 3 375.463 3.576 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC001308589546 1050022309 /nfs/dbraw/zinc/02/23/09/1050022309.db2.gz QHIMRZBEDHFLMN-AWEZNQCLSA-N 0 3 389.883 3.608 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([O-])c1 ZINC001308589546 1050022318 /nfs/dbraw/zinc/02/23/18/1050022318.db2.gz QHIMRZBEDHFLMN-AWEZNQCLSA-N 0 3 389.883 3.608 20 10 GHCDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001308631422 1050041124 /nfs/dbraw/zinc/04/11/24/1050041124.db2.gz MRANIYROUGEZGZ-GPMSIDNRSA-N 0 3 399.501 3.845 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)Cc1c(O)c(C)ncc1CO ZINC001308947918 1050208401 /nfs/dbraw/zinc/20/84/01/1050208401.db2.gz CAUHBUIFYAAILO-UHFFFAOYSA-N 0 3 397.441 3.695 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001312658510 1052828423 /nfs/dbraw/zinc/82/84/23/1052828423.db2.gz FMNGZGBWNKGLEW-SFYKDHMMSA-N 0 3 396.579 3.983 20 10 GHCDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)Cc2ccccc21 ZINC001313414887 1053047476 /nfs/dbraw/zinc/04/74/76/1053047476.db2.gz PBAVVXVJNMOKMW-VGSWGCGISA-N 0 3 380.536 3.684 20 10 GHCDHN COCc1ccc([C@@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC001321229671 1056173451 /nfs/dbraw/zinc/17/34/51/1056173451.db2.gz RPMFUJBOEPEKIE-NRFANRHFSA-N 0 3 387.499 3.654 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1[O-] ZINC000848519426 1057144874 /nfs/dbraw/zinc/14/48/74/1057144874.db2.gz BSVJFORZNKXAOX-ZUZCIYMTSA-N 0 3 384.245 3.687 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000848536265 1057157227 /nfs/dbraw/zinc/15/72/27/1057157227.db2.gz MRIWVZVKEOCHRL-BBATYDOGSA-N 0 3 398.272 3.861 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)c1[O-] ZINC000848548123 1057169173 /nfs/dbraw/zinc/16/91/73/1057169173.db2.gz XUGDSXYEIXXBMK-IUODEOHRSA-N 0 3 383.330 3.831 20 10 GHCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000848566273 1057182290 /nfs/dbraw/zinc/18/22/90/1057182290.db2.gz TYIBFKLYPOTOHP-AEGPPILISA-N 0 3 377.481 3.603 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)c(C=O)cc3F)c2)CC1 ZINC001447322589 1059947725 /nfs/dbraw/zinc/94/77/25/1059947725.db2.gz UKLIWILOOZMMQR-UHFFFAOYSA-N 0 3 387.430 3.560 20 10 GHCDHN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(s1)CNCC2 ZINC001353419160 1065940958 /nfs/dbraw/zinc/94/09/58/1065940958.db2.gz IHKWCWDZHQEXBZ-UHFFFAOYSA-N 0 3 395.322 3.524 20 10 GHCDHN CCCc1csc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001466062031 1065970316 /nfs/dbraw/zinc/97/03/16/1065970316.db2.gz GXOJSAUZNJTBAK-QGZVFWFLSA-N 0 3 375.542 3.586 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2OCCF)N(C)C)cc1 ZINC001466633639 1066224933 /nfs/dbraw/zinc/22/49/33/1066224933.db2.gz SSCVNSINWXBCHU-IBGZPJMESA-N 0 3 388.487 3.525 20 10 GHCDHN CCC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC001477805605 1078574491 /nfs/dbraw/zinc/57/44/91/1078574491.db2.gz RCDYUGJBRDECJM-LEWJYISDSA-N 0 3 383.540 3.591 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](C3CCCC3)C2)N(C)C)cc1 ZINC001471546348 1073125698 /nfs/dbraw/zinc/12/56/98/1073125698.db2.gz BDOYJKNSFHBPNF-RBBKRZOGSA-N 0 3 386.584 3.967 20 10 GHCDHN CCSCC[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471546022 1073125735 /nfs/dbraw/zinc/12/57/35/1073125735.db2.gz UPQQBAPJWOSSKY-APWZRJJASA-N 0 3 380.602 3.528 20 10 GHCDHN CCSCC[C@H](C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001471546024 1073126016 /nfs/dbraw/zinc/12/60/16/1073126016.db2.gz UPQQBAPJWOSSKY-QFBILLFUSA-N 0 3 380.602 3.528 20 10 GHCDHN O=C1C[C@H](NCc2ccc3c(c2)CCCO3)CN1c1cccc(C(F)(F)F)c1 ZINC001474034489 1074242828 /nfs/dbraw/zinc/24/28/28/1074242828.db2.gz WPVNUKXKQVKYGQ-KRWDZBQOSA-N 0 3 390.405 3.926 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001474368775 1074367991 /nfs/dbraw/zinc/36/79/91/1074367991.db2.gz ZIDWMNXJNCISCB-QGZVFWFLSA-N 0 3 378.513 3.976 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001474368775 1074367997 /nfs/dbraw/zinc/36/79/97/1074367997.db2.gz ZIDWMNXJNCISCB-QGZVFWFLSA-N 0 3 378.513 3.976 20 10 GHCDHN CCOC(=O)[C@](C)(CNCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC001474448048 1074410761 /nfs/dbraw/zinc/41/07/61/1074410761.db2.gz BMDCVOPAQROJKO-OAQYLSRUSA-N 0 3 376.447 3.641 20 10 GHCDHN C[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC000820425910 607017954 /nfs/dbraw/zinc/01/79/54/607017954.db2.gz CNXKPSHYAQSADP-HNNXBMFYSA-N 0 3 382.537 3.517 20 10 GHCDHN C[C@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC000820425910 607017955 /nfs/dbraw/zinc/01/79/55/607017955.db2.gz CNXKPSHYAQSADP-HNNXBMFYSA-N 0 3 382.537 3.517 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000066699545 838326863 /nfs/dbraw/zinc/32/68/63/838326863.db2.gz OYLBKPNIXZLMBK-UHFFFAOYSA-N 0 3 381.520 3.762 20 10 GHCDHN C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182638943 839124413 /nfs/dbraw/zinc/12/44/13/839124413.db2.gz PYBJJNPGZAUGPV-SFHVURJKSA-N 0 3 398.526 3.587 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cscc2Br)N(C)C)cc1 ZINC000891249299 839324522 /nfs/dbraw/zinc/32/45/22/839324522.db2.gz QKNWLINVMATNFS-MRXNPFEDSA-N 0 3 396.354 3.609 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2snc(Cl)c2Cl)N(C)C)cc1 ZINC000891248886 839328894 /nfs/dbraw/zinc/32/88/94/839328894.db2.gz ODKPVDVFRNTDKX-LBPRGKRZSA-N 0 3 387.336 3.549 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000027291740 841374311 /nfs/dbraw/zinc/37/43/11/841374311.db2.gz QZBUCEALXLITQG-UHFFFAOYSA-N 0 3 393.443 3.784 20 10 GHCDHN COc1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)c(O)c1OC ZINC000891728547 842762995 /nfs/dbraw/zinc/76/29/95/842762995.db2.gz LUMGRRXONKGJNA-UHFFFAOYSA-N 0 3 379.403 3.731 20 10 GHCDHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588459295 843544885 /nfs/dbraw/zinc/54/48/85/843544885.db2.gz URKRJUMNDHHXIH-RTBURBONSA-N 0 3 379.464 3.674 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)NCCN(C)Cc3ccccc3)cc2)CC1 ZINC000731118584 861478125 /nfs/dbraw/zinc/47/81/25/861478125.db2.gz BKHZBVGQKDLRDY-UHFFFAOYSA-N 0 3 394.563 3.854 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000472224926 847223430 /nfs/dbraw/zinc/22/34/30/847223430.db2.gz OOVYVIDTBQXGKQ-UHFFFAOYSA-N 0 3 390.531 3.904 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001167984247 852423172 /nfs/dbraw/zinc/42/31/72/852423172.db2.gz QUOSDUAZACAEBH-MOPGFXCFSA-N 0 3 390.524 3.773 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001167984247 852423178 /nfs/dbraw/zinc/42/31/78/852423178.db2.gz QUOSDUAZACAEBH-MOPGFXCFSA-N 0 3 390.524 3.773 20 10 GHCDHN COC(=O)C1(c2ccc(C[N@@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)cc2)CC1 ZINC001167984954 852694537 /nfs/dbraw/zinc/69/45/37/852694537.db2.gz ZRNOWCSRRQAGML-OAQYLSRUSA-N 0 3 395.499 3.778 20 10 GHCDHN COC(=O)C1(c2ccc(C[N@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)cc2)CC1 ZINC001167984954 852694539 /nfs/dbraw/zinc/69/45/39/852694539.db2.gz ZRNOWCSRRQAGML-OAQYLSRUSA-N 0 3 395.499 3.778 20 10 GHCDHN CCOc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(O)c1 ZINC000765811515 855020411 /nfs/dbraw/zinc/02/04/11/855020411.db2.gz YTEHEODNUSKDLD-LEWJYISDSA-N 0 3 390.911 3.606 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c1[O-] ZINC000922972922 858909339 /nfs/dbraw/zinc/90/93/39/858909339.db2.gz SMJZCUQZKQNUEI-UHFFFAOYSA-N 0 3 396.281 3.779 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000763446765 881359468 /nfs/dbraw/zinc/35/94/68/881359468.db2.gz YIORIESEJBSFLW-HKUYNNGSSA-N 0 3 394.284 3.858 20 10 GHCDHN COc1ccc(OCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000764709379 859569520 /nfs/dbraw/zinc/56/95/20/859569520.db2.gz WWFHZJGMABRNTF-MRXNPFEDSA-N 0 3 390.911 3.915 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCOc4ccc(F)cc43)cc2)C1 ZINC000765241901 859860972 /nfs/dbraw/zinc/86/09/72/859860972.db2.gz GSXKSXLHSQUSGX-UWJYYQICSA-N 0 3 397.494 3.531 20 10 GHCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2ccccc2n1 ZINC000765254492 859872566 /nfs/dbraw/zinc/87/25/66/859872566.db2.gz MZZJZUUROVOGLC-PXNSSMCTSA-N 0 3 388.515 3.787 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CSCCc4ccccc43)cc2)C1 ZINC000765255085 859873186 /nfs/dbraw/zinc/87/31/86/859873186.db2.gz PDUMDXRLWIRHGD-SIKLNZKXSA-N 0 3 395.572 3.509 20 10 GHCDHN C[C@@H](NCCn1cnc2ccccc21)c1ccc(N2CCOCC2)cc1Cl ZINC000765395993 859947390 /nfs/dbraw/zinc/94/73/90/859947390.db2.gz KXQUEBBQUAMYBY-MRXNPFEDSA-N 0 3 384.911 3.877 20 10 GHCDHN COc1cc(Br)cc(CNCc2nccc3c2CCCC3)c1O ZINC000922466361 860033545 /nfs/dbraw/zinc/03/35/45/860033545.db2.gz HZEXYCHYHCOFAB-UHFFFAOYSA-N 0 3 377.282 3.727 20 10 GHCDHN O=C(NC[C@@H]1CCCCN1C1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000765664738 860385343 /nfs/dbraw/zinc/38/53/43/860385343.db2.gz VXQVAEJWSGVLPZ-IBGZPJMESA-N 0 3 383.492 3.714 20 10 GHCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2cnccc2o1 ZINC000896263868 860588557 /nfs/dbraw/zinc/58/85/57/860588557.db2.gz IUYPXPWVZXAVIP-DNVCBOLYSA-N 0 3 395.507 3.557 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc2F)CC1 ZINC000173400505 864706504 /nfs/dbraw/zinc/70/65/04/864706504.db2.gz YXHANJYUUHLAIX-MRXNPFEDSA-N 0 3 386.471 3.727 20 10 GHCDHN Fc1ccc(-n2nccc2CNCc2ccc(N3CCSCC3)cc2)cc1 ZINC000792921166 881815157 /nfs/dbraw/zinc/81/51/57/881815157.db2.gz KHYAEEDSEGSYHN-UHFFFAOYSA-N 0 3 382.508 3.854 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc2ccccc2c1[O-] ZINC000184968787 865082040 /nfs/dbraw/zinc/08/20/40/865082040.db2.gz KDIMSRATYGJCNL-QGZVFWFLSA-N 0 3 376.504 3.543 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185169372 865644978 /nfs/dbraw/zinc/64/49/78/865644978.db2.gz JHOJDRCQYKZUHC-MRXNPFEDSA-N 0 3 376.522 3.582 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000740007460 865824920 /nfs/dbraw/zinc/82/49/20/865824920.db2.gz SSRLTEBBTUYXDW-KPZWWZAWSA-N 0 3 386.330 3.830 20 10 GHCDHN COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000747100468 881920828 /nfs/dbraw/zinc/92/08/28/881920828.db2.gz IMRSOUOUXKWXFR-INIZCTEOSA-N 0 3 380.282 3.511 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742384429 867252057 /nfs/dbraw/zinc/25/20/57/867252057.db2.gz BPUBGTOZLXCWBU-AWEZNQCLSA-N 0 3 378.419 3.761 20 10 GHCDHN CCOc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])cc(Br)c1OC ZINC000793387976 882162507 /nfs/dbraw/zinc/16/25/07/882162507.db2.gz DDVAMTTZNYWESS-UHFFFAOYSA-N 0 3 396.281 3.860 20 10 GHCDHN CN(C(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1)[C@H]1CCCN(C)C1 ZINC000793607010 882316523 /nfs/dbraw/zinc/31/65/23/882316523.db2.gz YIUCDPAXUGOXAD-IBGZPJMESA-N 0 3 387.911 3.824 20 10 GHCDHN CC(C)N1CCN(c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1 ZINC000921054961 882551473 /nfs/dbraw/zinc/55/14/73/882551473.db2.gz FJHXSFUUVNFZEZ-UHFFFAOYSA-N 0 3 394.563 3.555 20 10 GHCDHN CN1CCN(c2ccc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000775652003 872380067 /nfs/dbraw/zinc/38/00/67/872380067.db2.gz UVMQPWXGFSQJQJ-UHFFFAOYSA-N 0 3 380.492 3.511 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000775699483 872953236 /nfs/dbraw/zinc/95/32/36/872953236.db2.gz FMSIXWWZKGMZCJ-GOEBONIOSA-N 0 3 394.512 3.535 20 10 GHCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000768106725 873083537 /nfs/dbraw/zinc/08/35/37/873083537.db2.gz UMRRZCPFADAJSL-AWEZNQCLSA-N 0 3 396.915 3.565 20 10 GHCDHN CC[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439817 873303430 /nfs/dbraw/zinc/30/34/30/873303430.db2.gz KNWYPPXBPVDDOG-KRWDZBQOSA-N 0 3 378.266 3.603 20 10 GHCDHN CC[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439817 873303446 /nfs/dbraw/zinc/30/34/46/873303446.db2.gz KNWYPPXBPVDDOG-KRWDZBQOSA-N 0 3 378.266 3.603 20 10 GHCDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000691450261 873312452 /nfs/dbraw/zinc/31/24/52/873312452.db2.gz KKLMXZATUMZJNB-MRXNPFEDSA-N 0 3 375.310 3.766 20 10 GHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000177026861 882728367 /nfs/dbraw/zinc/72/83/67/882728367.db2.gz HICCPQVBHHWSGK-CQSZACIVSA-N 0 3 392.927 3.719 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N(C)C)cc1 ZINC000775830295 874270005 /nfs/dbraw/zinc/27/00/05/874270005.db2.gz HDRCXQSARHCGTF-LBPRGKRZSA-N 0 3 376.844 3.604 20 10 GHCDHN COc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1F ZINC000153156219 882862027 /nfs/dbraw/zinc/86/20/27/882862027.db2.gz ALNBIPDXYUSIGQ-CQSZACIVSA-N 0 3 376.447 3.785 20 10 GHCDHN CN(C)c1cc(F)c(CNc2ccccc2CN2CCC(O)CC2)cc1F ZINC000858138775 882874136 /nfs/dbraw/zinc/87/41/36/882874136.db2.gz AVEWGONIMZCKCU-UHFFFAOYSA-N 0 3 375.463 3.600 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(F)ccc2Cl)N(C)C)cc1 ZINC001199797692 875191905 /nfs/dbraw/zinc/19/19/05/875191905.db2.gz PJIBMBYVARGEPL-GOSISDBHSA-N 0 3 378.879 3.970 20 10 GHCDHN CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858284301 883001163 /nfs/dbraw/zinc/00/11/63/883001163.db2.gz ZPXKHBNSUMEYHD-OAQYLSRUSA-N 0 3 394.475 3.502 20 10 GHCDHN O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093594256 912356856 /nfs/dbraw/zinc/35/68/56/912356856.db2.gz WLEURDXTDKGARA-FQEVSTJZSA-N 0 3 382.479 3.757 20 10 GHCDHN CCCN(CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000110737824 878478734 /nfs/dbraw/zinc/47/87/34/878478734.db2.gz GZWMIAHZHJGCMC-UHFFFAOYSA-N 0 3 378.419 3.522 20 10 GHCDHN COc1cc(Cl)cc(CN[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1O ZINC000789600357 879105887 /nfs/dbraw/zinc/10/58/87/879105887.db2.gz ZULIREMMDDHCHO-KRWDZBQOSA-N 0 3 388.895 3.875 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1[O-] ZINC000789600357 879105897 /nfs/dbraw/zinc/10/58/97/879105897.db2.gz ZULIREMMDDHCHO-KRWDZBQOSA-N 0 3 388.895 3.875 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC001183363323 912438317 /nfs/dbraw/zinc/43/83/17/912438317.db2.gz JADXCPKWDKUGBI-LBPRGKRZSA-N 0 3 387.318 3.856 20 10 GHCDHN COc1ccc(N2CC[C@H](NC(=O)c3cccc(CN4CCCCC4)c3)C2)cc1 ZINC000855227747 880372091 /nfs/dbraw/zinc/37/20/91/880372091.db2.gz ZNYZAMOQEYEEJK-NRFANRHFSA-N 0 3 393.531 3.690 20 10 GHCDHN C[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000130324938 884189596 /nfs/dbraw/zinc/18/95/96/884189596.db2.gz UUTBBVLQVINQAQ-VBKZILBWSA-N 0 3 378.875 3.700 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000807621419 885574800 /nfs/dbraw/zinc/57/48/00/885574800.db2.gz YRUHJRZAVMTNTN-WIYYLYMNSA-N 0 3 381.520 3.977 20 10 GHCDHN CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000762271064 885912147 /nfs/dbraw/zinc/91/21/47/885912147.db2.gz ZITBVUSURBZQSH-HSZRJFAPSA-N 0 3 392.547 3.703 20 10 GHCDHN COC(=O)[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])CC1CCCC1 ZINC001184218810 913078847 /nfs/dbraw/zinc/07/88/47/913078847.db2.gz PMHWAUZTASZLOJ-HNNXBMFYSA-N 0 3 384.314 3.922 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000915757280 887407888 /nfs/dbraw/zinc/40/78/88/887407888.db2.gz ZKBZQFWLVDUSMK-JOCHJYFZSA-N 0 3 392.547 3.751 20 10 GHCDHN CC[C@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794791922 888074310 /nfs/dbraw/zinc/07/43/10/888074310.db2.gz CMHYIOLGGPWDJX-VXKWHMMOSA-N 0 3 384.520 3.823 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C)cc1[O-] ZINC000794814102 888184169 /nfs/dbraw/zinc/18/41/69/888184169.db2.gz GZHCQEOMRKAVNV-RHSMWYFYSA-N 0 3 394.309 3.944 20 10 GHCDHN COc1cccc(C2(C[NH2+]Cc3cc(Br)cc(OC)c3[O-])CC2)c1 ZINC000810157519 888246388 /nfs/dbraw/zinc/24/63/88/888246388.db2.gz SGELKJXTBNPCKQ-UHFFFAOYSA-N 0 3 392.293 3.993 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c([O-])c1 ZINC000729685641 889141679 /nfs/dbraw/zinc/14/16/79/889141679.db2.gz FKJIHTIOSPBQQE-FQEVSTJZSA-N 0 3 390.911 3.607 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(N(C)C)cc3F)c2)CC1 ZINC000122429699 889765248 /nfs/dbraw/zinc/76/52/48/889765248.db2.gz PKCQIWOHLIBASG-UHFFFAOYSA-N 0 3 384.499 3.674 20 10 GHCDHN COc1cc([N+](=O)[O-])c(N2CCCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC001184681616 913386765 /nfs/dbraw/zinc/38/67/65/913386765.db2.gz PUKVGVDEONOMLB-UHFFFAOYSA-N 0 3 385.464 3.633 20 10 GHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122481154 889846332 /nfs/dbraw/zinc/84/63/32/889846332.db2.gz RXBBFGIAWQBRQQ-OAHLLOKOSA-N 0 3 375.463 3.718 20 10 GHCDHN CCO[C@@H](C)c1nc(CN2CCN(Cc3c(C)cccc3O)CC2)cs1 ZINC000876777224 893324921 /nfs/dbraw/zinc/32/49/21/893324921.db2.gz NOILYJARQCWFJZ-INIZCTEOSA-N 0 3 375.538 3.572 20 10 GHCDHN COc1cnc(F)c(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000876999458 893428146 /nfs/dbraw/zinc/42/81/46/893428146.db2.gz UTBVOYMPPYYGQV-UHFFFAOYSA-N 0 3 381.398 3.589 20 10 GHCDHN c1cc(N2CCOCC2)ccc1CN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735649 893783999 /nfs/dbraw/zinc/78/39/99/893783999.db2.gz AWVDHGIGYNOPMO-UHFFFAOYSA-N 0 3 382.508 3.553 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1[O-] ZINC000816629526 894957595 /nfs/dbraw/zinc/95/75/95/894957595.db2.gz PXJGXGDGBVNJQN-UHFFFAOYSA-N 0 3 391.309 3.590 20 10 GHCDHN C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1ccccc1[O-] ZINC000879651314 895203077 /nfs/dbraw/zinc/20/30/77/895203077.db2.gz QZAPUBYYAJBGCZ-NSHDSACASA-N 0 3 383.311 3.525 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817943547 895971857 /nfs/dbraw/zinc/97/18/57/895971857.db2.gz VHAVFKQONHJHJB-ACJLOTCBSA-N 0 3 392.341 3.880 20 10 GHCDHN COc1ccc(N2CC[C@H](CNCc3nccn3Cc3ccccc3)C2)cc1 ZINC000818221021 896084970 /nfs/dbraw/zinc/08/49/70/896084970.db2.gz KMVFHAVDNHUKIA-HXUWFJFHSA-N 0 3 376.504 3.556 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000883290629 897456614 /nfs/dbraw/zinc/45/66/14/897456614.db2.gz AOOODOJLYJRYCB-LJQANCHMSA-N 0 3 389.547 3.690 20 10 GHCDHN Cc1cc(Br)cc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000824608679 899718824 /nfs/dbraw/zinc/71/88/24/899718824.db2.gz LZIPWOBNBMXRDE-UHFFFAOYSA-N 0 3 389.293 3.727 20 10 GHCDHN CCOCCO[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000138427487 901184161 /nfs/dbraw/zinc/18/41/61/901184161.db2.gz MRGGXLXTRFMYLS-INIZCTEOSA-N 0 3 394.309 3.935 20 10 GHCDHN CCOCCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000138427487 901184170 /nfs/dbraw/zinc/18/41/70/901184170.db2.gz MRGGXLXTRFMYLS-INIZCTEOSA-N 0 3 394.309 3.935 20 10 GHCDHN O=C(NCc1cc(Cl)ccc1O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000844858648 901366843 /nfs/dbraw/zinc/36/68/43/901366843.db2.gz LZLNFHFQBSSKLG-HNNXBMFYSA-N 0 3 379.913 3.743 20 10 GHCDHN CC(C)[N@H+](Cc1c([O-])cc(O)cc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001144504289 902286284 /nfs/dbraw/zinc/28/62/84/902286284.db2.gz OGLWBUFJMNQOPH-OAHLLOKOSA-N 0 3 394.512 3.803 20 10 GHCDHN CC(C)[N@@H+](Cc1c([O-])cc(O)cc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001144504289 902286297 /nfs/dbraw/zinc/28/62/97/902286297.db2.gz OGLWBUFJMNQOPH-OAHLLOKOSA-N 0 3 394.512 3.803 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000846004112 902585594 /nfs/dbraw/zinc/58/55/94/902585594.db2.gz YPWPZPRFGAIOFG-BTYIYWSLSA-N 0 3 376.497 3.528 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000846004112 902585602 /nfs/dbraw/zinc/58/56/02/902585602.db2.gz YPWPZPRFGAIOFG-BTYIYWSLSA-N 0 3 376.497 3.528 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1[O-] ZINC000779013472 902803699 /nfs/dbraw/zinc/80/36/99/902803699.db2.gz RGPXHOBXVQLPLF-DOMZBBRYSA-N 0 3 398.272 3.693 20 10 GHCDHN O=C1C[C@@H](NC2CCOCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000846703468 903150808 /nfs/dbraw/zinc/15/08/08/903150808.db2.gz OCJFIABPQXESSV-LJQANCHMSA-N 0 3 378.432 3.503 20 10 GHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(OC)c1 ZINC000151587523 904162197 /nfs/dbraw/zinc/16/21/97/904162197.db2.gz ZBZBCAOWCPDPRE-QGZVFWFLSA-N 0 3 384.520 3.763 20 10 GHCDHN CC[C@@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000773038933 904394589 /nfs/dbraw/zinc/39/45/89/904394589.db2.gz KUZIVRAOZRRNDV-FGZHOGPDSA-N 0 3 397.519 3.616 20 10 GHCDHN COCCOc1ccc(N2CCN([C@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172208891 905407855 /nfs/dbraw/zinc/40/78/55/905407855.db2.gz MHVDJVWOOYVSIC-HXUWFJFHSA-N 0 3 384.545 3.551 20 10 GHCDHN CCCCN(CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1O ZINC000801594649 921173657 /nfs/dbraw/zinc/17/36/57/921173657.db2.gz JBTSCOQHBMMKKK-UHFFFAOYSA-N 0 3 379.497 3.997 20 10 GHCDHN COc1ccc(N2CCN(c3ccc(NC4=CCCN(C)C4)cc3)CC2)cc1 ZINC001175577575 907642238 /nfs/dbraw/zinc/64/22/38/907642238.db2.gz CYKRQIJJCRRTJC-UHFFFAOYSA-N 0 3 378.520 3.653 20 10 GHCDHN COc1cccc([C@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2(C)C)c1 ZINC001175821075 907778373 /nfs/dbraw/zinc/77/83/73/907778373.db2.gz GFZOQONMBANSFI-JOCHJYFZSA-N 0 3 395.547 3.646 20 10 GHCDHN CCN(C)c1ccc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000773756860 909140819 /nfs/dbraw/zinc/14/08/19/909140819.db2.gz WZFKMPXDHXLTPN-UHFFFAOYSA-N 0 3 383.511 3.559 20 10 GHCDHN CN1CCN(c2ccc(CNCc3csc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC001179453971 909535477 /nfs/dbraw/zinc/53/54/77/909535477.db2.gz VUQNKQZUCPIUMC-UHFFFAOYSA-N 0 3 396.535 3.991 20 10 GHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268953421 910081208 /nfs/dbraw/zinc/08/12/08/910081208.db2.gz YFGUYHMSNSKXPM-HZPDHXFCSA-N 0 3 397.494 3.593 20 10 GHCDHN Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c([O-])c1 ZINC001181846337 911038615 /nfs/dbraw/zinc/03/86/15/911038615.db2.gz ZEVPLDMWJXPNTD-CYBMUJFWSA-N 0 3 382.273 3.543 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)cc1 ZINC001182414899 911628207 /nfs/dbraw/zinc/62/82/07/911628207.db2.gz YTZXUWTXICVKTO-JOCHJYFZSA-N 0 3 383.536 3.897 20 10 GHCDHN COC(=O)c1c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c2cc(F)ccc2n1C ZINC001182917862 912146760 /nfs/dbraw/zinc/14/67/60/912146760.db2.gz DFIZQTFAYMGLKZ-FOIQADDNSA-N 0 3 388.483 3.885 20 10 GHCDHN CC(C)N(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253740 916644784 /nfs/dbraw/zinc/64/47/84/916644784.db2.gz DMCHICCTCVGRFN-FQEVSTJZSA-N 0 3 395.547 3.611 20 10 GHCDHN CC(C)c1ccc(NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775254928 916645813 /nfs/dbraw/zinc/64/58/13/916645813.db2.gz LJENTBFQHIOKML-GOSISDBHSA-N 0 3 381.520 3.936 20 10 GHCDHN CC(C)c1ccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775254929 916645996 /nfs/dbraw/zinc/64/59/96/916645996.db2.gz LJENTBFQHIOKML-SFHVURJKSA-N 0 3 381.520 3.936 20 10 GHCDHN C[C@H](NCC(=O)Nc1cccc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000775255403 916657580 /nfs/dbraw/zinc/65/75/80/916657580.db2.gz OLRFEBCKBCHAFU-SFHVURJKSA-N 0 3 389.499 3.966 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c([O-])c1 ZINC000775318828 916898543 /nfs/dbraw/zinc/89/85/43/916898543.db2.gz KRVRKQNNSQBWDI-INIZCTEOSA-N 0 3 394.393 3.705 20 10 GHCDHN CCOc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(O)c1 ZINC000775318828 916898552 /nfs/dbraw/zinc/89/85/52/916898552.db2.gz KRVRKQNNSQBWDI-INIZCTEOSA-N 0 3 394.393 3.705 20 10 GHCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H](C)C2CC2)c(OC)c1 ZINC000800859979 920537396 /nfs/dbraw/zinc/53/73/96/920537396.db2.gz YOHULVPEEQNXLQ-LHSJRXKWSA-N 0 3 399.487 3.636 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H](C)C2CC2)c(OC)c1 ZINC000800859979 920537408 /nfs/dbraw/zinc/53/74/08/920537408.db2.gz YOHULVPEEQNXLQ-LHSJRXKWSA-N 0 3 399.487 3.636 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000369140097 923144922 /nfs/dbraw/zinc/14/49/22/923144922.db2.gz OMZHFDNIHZFYMC-QFIPXVFZSA-N 0 3 393.487 3.640 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000373406955 926090549 /nfs/dbraw/zinc/09/05/49/926090549.db2.gz JZICICFXTNRCCM-KRWDZBQOSA-N 0 3 392.927 3.669 20 10 GHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000373406955 926090550 /nfs/dbraw/zinc/09/05/50/926090550.db2.gz JZICICFXTNRCCM-KRWDZBQOSA-N 0 3 392.927 3.669 20 10 GHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000725847245 926466302 /nfs/dbraw/zinc/46/63/02/926466302.db2.gz HDXMWOVTIITVKT-XMMPIXPASA-N 0 3 388.511 3.568 20 10 GHCDHN COc1cccc(CNCc2ccc(Oc3c(OC)cccc3OC)nc2)c1O ZINC000725847256 926466440 /nfs/dbraw/zinc/46/64/40/926466440.db2.gz WUBPCNZVLLHUHU-UHFFFAOYSA-N 0 3 396.443 3.895 20 10 GHCDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397604900 926484761 /nfs/dbraw/zinc/48/47/61/926484761.db2.gz PHHQEGCMQLKOBR-UHFFFAOYSA-N 0 3 395.330 3.816 20 10 GHCDHN COCCN1CCC(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000749357545 927070362 /nfs/dbraw/zinc/07/03/62/927070362.db2.gz SYXZUDXDNURMQG-UHFFFAOYSA-N 0 3 383.536 3.552 20 10 GHCDHN O=C(NCCCSc1nccs1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000759563936 930404424 /nfs/dbraw/zinc/40/44/24/930404424.db2.gz HFVUJTKLDOERLL-KRWDZBQOSA-N 0 3 390.578 3.589 20 10 GHCDHN Cc1cc(NC(=O)CNCc2ccc(N(C)C)cc2)ccc1Br ZINC000781050891 930685091 /nfs/dbraw/zinc/68/50/91/930685091.db2.gz GTHNWVATHYAXAZ-UHFFFAOYSA-N 0 3 376.298 3.552 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000781913016 931026312 /nfs/dbraw/zinc/02/63/12/931026312.db2.gz YEHDSZVPOOKJLX-KBXCAEBGSA-N 0 3 379.342 3.912 20 10 GHCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000781913016 931026317 /nfs/dbraw/zinc/02/63/17/931026317.db2.gz YEHDSZVPOOKJLX-KBXCAEBGSA-N 0 3 379.342 3.912 20 10 GHCDHN Cc1cc(CN2CCC3(CN(c4cccc(F)c4)C3=O)CC2)ccc1N(C)C ZINC001139670930 935556304 /nfs/dbraw/zinc/55/63/04/935556304.db2.gz GHVPJPGWZGCYJU-UHFFFAOYSA-N 0 3 381.495 3.829 20 10 GHCDHN COC(=O)[C@@H](C)[C@@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1ccccc1 ZINC000828364817 935620136 /nfs/dbraw/zinc/62/01/36/935620136.db2.gz KFFNTTGBOYMEPK-FDDCHVKYSA-N 0 3 396.531 3.942 20 10 GHCDHN CCOc1ccc(N2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)CC2)cc1 ZINC001137658821 935681568 /nfs/dbraw/zinc/68/15/68/935681568.db2.gz XLLISDSVKKJCSX-UHFFFAOYSA-N 0 3 392.503 3.652 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(C)[C@H](Cc4ccccc4)C3)cc2)CC1 ZINC000829541840 935825361 /nfs/dbraw/zinc/82/53/61/935825361.db2.gz DUVWNDIBZRONDK-XMMPIXPASA-N 0 3 393.575 3.661 20 10 GHCDHN CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191312 1032331950 /nfs/dbraw/zinc/33/19/50/1032331950.db2.gz JOTIUNOVKZPFRA-LIRRHRJNSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191312 1032331963 /nfs/dbraw/zinc/33/19/63/1032331963.db2.gz JOTIUNOVKZPFRA-LIRRHRJNSA-N 0 3 395.341 3.686 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276751 1032716958 /nfs/dbraw/zinc/71/69/58/1032716958.db2.gz QBHPGCOTOPKVRH-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204276751 1032716975 /nfs/dbraw/zinc/71/69/75/1032716975.db2.gz QBHPGCOTOPKVRH-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN FC(F)(F)c1cc(O[C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)ncn1 ZINC001204329074 1032771274 /nfs/dbraw/zinc/77/12/74/1032771274.db2.gz FCZBWRSTMBGFMM-QGZVFWFLSA-N 0 3 392.425 3.749 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1[O-] ZINC000779011599 1020193992 /nfs/dbraw/zinc/19/39/92/1020193992.db2.gz JMRGGAVYSRRZCZ-ZBFHGGJFSA-N 0 3 378.310 3.965 20 10 GHCDHN CCN1CCN(c2ccc(CN(CC(=O)c3ccccc3)C(C)C)cc2)CC1 ZINC001140305565 1021360915 /nfs/dbraw/zinc/36/09/15/1021360915.db2.gz CHHUTLKYXPVUSD-UHFFFAOYSA-N 0 3 379.548 3.922 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067751 1021849989 /nfs/dbraw/zinc/84/99/89/1021849989.db2.gz BFTVRVDNTQSCQN-RDJZCZTQSA-N 0 3 378.513 3.774 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067751 1021850007 /nfs/dbraw/zinc/85/00/07/1021850007.db2.gz BFTVRVDNTQSCQN-RDJZCZTQSA-N 0 3 378.513 3.774 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949399 1022969504 /nfs/dbraw/zinc/96/95/04/1022969504.db2.gz AYRKGHRSHLGLFY-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001140949399 1022969506 /nfs/dbraw/zinc/96/95/06/1022969506.db2.gz AYRKGHRSHLGLFY-GOTSBHOMSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccc(C)cc2[O-])CC3)cs1 ZINC001140952182 1022979918 /nfs/dbraw/zinc/97/99/18/1022979918.db2.gz HMRSZCQTMRKZPU-UHFFFAOYSA-N 0 3 385.533 3.623 20 10 GHCDHN Cc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001140954003 1022988369 /nfs/dbraw/zinc/98/83/69/1022988369.db2.gz IONFZBJEFISDCK-CABCVRRESA-N 0 3 388.430 3.978 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000756031836 1023485715 /nfs/dbraw/zinc/48/57/15/1023485715.db2.gz BREZVWIOLDWPDH-QVQLBTGDSA-N 0 3 398.322 3.752 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)c([O-])c1 ZINC000756043813 1023492802 /nfs/dbraw/zinc/49/28/02/1023492802.db2.gz BZIVZZYOVLQWMS-RBBKRZOGSA-N 0 3 380.492 3.849 20 10 GHCDHN CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756433913 1023646935 /nfs/dbraw/zinc/64/69/35/1023646935.db2.gz QKSJKVGUFLHJAO-INIZCTEOSA-N 0 3 389.490 3.659 20 10 GHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c2c1c(F)ccc2[O-] ZINC000756462083 1023663979 /nfs/dbraw/zinc/66/39/79/1023663979.db2.gz YQAUMOCRAIUEHO-SCLBCKFNSA-N 0 3 388.458 3.970 20 10 GHCDHN O=C(NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1)N1CCCCC1 ZINC001138222307 1024398305 /nfs/dbraw/zinc/39/83/05/1024398305.db2.gz RBLCQKPOEDKKRY-UHFFFAOYSA-N 0 3 384.568 3.837 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3c(C)n(C)c4ccccc43)CC2)cc1 ZINC001138259099 1024488591 /nfs/dbraw/zinc/48/85/91/1024488591.db2.gz AWHRSVWHIDQORR-UHFFFAOYSA-N 0 3 393.531 3.834 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(c3ccc(F)cn3)CC2)c(OC)c1 ZINC001138386518 1024758316 /nfs/dbraw/zinc/75/83/16/1024758316.db2.gz PKSFMJRETACDIG-UHFFFAOYSA-N 0 3 386.515 3.788 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC[C@@]3(C[C@@H](CCOC)CO3)C2)c(OC)c1 ZINC001138387683 1024760905 /nfs/dbraw/zinc/76/09/05/1024760905.db2.gz MEQKPIQISNUBAA-AUSIDOKSSA-N 0 3 390.568 3.949 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001138388243 1024763301 /nfs/dbraw/zinc/76/33/01/1024763301.db2.gz UDWUNQPMILSAMO-RXVVDRJESA-N 0 3 387.568 3.620 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c(OC)c1 ZINC001138388773 1024763970 /nfs/dbraw/zinc/76/39/70/1024763970.db2.gz DAYVWUSDEXWETI-GMAHTHKFSA-N 0 3 388.552 3.701 20 10 GHCDHN OC[C@@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838984780 1025500805 /nfs/dbraw/zinc/50/08/05/1025500805.db2.gz WDIUJGNTVNVPSG-CYBMUJFWSA-N 0 3 395.263 3.842 20 10 GHCDHN CC1(C)Cc2cc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)ccc2O1 ZINC000839146838 1025642117 /nfs/dbraw/zinc/64/21/17/1025642117.db2.gz XAOPOIFSQWDVLD-UHFFFAOYSA-N 0 3 388.458 3.805 20 10 GHCDHN COc1c(C)cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1C ZINC000839146701 1025643917 /nfs/dbraw/zinc/64/39/17/1025643917.db2.gz RLABEWHECDIALG-UHFFFAOYSA-N 0 3 376.447 3.717 20 10 GHCDHN CCOCc1cc(CN[C@@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC ZINC001461017061 1069338148 /nfs/dbraw/zinc/33/81/48/1069338148.db2.gz LAOSZAZWHOUPMY-QHCPKHFHSA-N 0 3 398.547 3.703 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC000839187899 1025705143 /nfs/dbraw/zinc/70/51/43/1025705143.db2.gz YUVMPSARWMAWBI-KZNAEPCWSA-N 0 3 390.524 3.916 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC000839187901 1025705675 /nfs/dbraw/zinc/70/56/75/1025705675.db2.gz YUVMPSARWMAWBI-RCCFBDPRSA-N 0 3 390.524 3.916 20 10 GHCDHN Cc1ccc2ncc(CNCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)n2c1 ZINC001461066625 1069373148 /nfs/dbraw/zinc/37/31/48/1069373148.db2.gz JUCFYCFBDSJIPC-IAGOWNOFSA-N 0 3 382.483 3.685 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc4ccncc4c3)CC2)cc1 ZINC001164334051 1026489671 /nfs/dbraw/zinc/48/96/71/1026489671.db2.gz JRWKFDGZPSVKOW-UHFFFAOYSA-N 0 3 376.504 3.868 20 10 GHCDHN [O-]c1ccccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001203552906 1027430109 /nfs/dbraw/zinc/43/01/09/1027430109.db2.gz VFMKJBKSALAZHB-LJQANCHMSA-N 0 3 377.410 3.664 20 10 GHCDHN [O-]c1ccccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001203552906 1027430117 /nfs/dbraw/zinc/43/01/17/1027430117.db2.gz VFMKJBKSALAZHB-LJQANCHMSA-N 0 3 377.410 3.664 20 10 GHCDHN COc1ccc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c(O)c1 ZINC001203628786 1027489671 /nfs/dbraw/zinc/48/96/71/1027489671.db2.gz FLAJDDNQIDNLMR-UHFFFAOYSA-N 0 3 383.879 3.925 20 10 GHCDHN COc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)NC(C)C)CC2)c([O-])c1 ZINC001203629337 1027490437 /nfs/dbraw/zinc/49/04/37/1027490437.db2.gz WVDZNPJXDHALLS-UHFFFAOYSA-N 0 3 398.503 3.582 20 10 GHCDHN CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)Cc1ccc(O)c(O)c1 ZINC001203881848 1027677028 /nfs/dbraw/zinc/67/70/28/1027677028.db2.gz UUFPATNEWRLZMV-RBUKOAKNSA-N 0 3 387.451 3.971 20 10 GHCDHN CCc1ccccc1[C@H](N)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000841087559 1028111499 /nfs/dbraw/zinc/11/14/99/1028111499.db2.gz RJENIPXGALERGS-MRXNPFEDSA-N 0 3 379.298 3.515 20 10 GHCDHN CCOc1ccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c([O-])c1 ZINC000843413757 1029988260 /nfs/dbraw/zinc/98/82/60/1029988260.db2.gz PZUNDIMCUCWIKE-UHFFFAOYSA-N 0 3 379.497 3.504 20 10 GHCDHN CCOc1ccc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c([O-])c1 ZINC000843413757 1029988263 /nfs/dbraw/zinc/98/82/63/1029988263.db2.gz PZUNDIMCUCWIKE-UHFFFAOYSA-N 0 3 379.497 3.504 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)c(C)n1-c1ccccc1C ZINC001152695857 1031329577 /nfs/dbraw/zinc/32/95/77/1031329577.db2.gz PRRPFJCCRQGGOO-GMAHTHKFSA-N 0 3 395.547 3.510 20 10 GHCDHN Cc1cc(OC2CCC([NH+](C)C)CC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229541941 1033549012 /nfs/dbraw/zinc/54/90/12/1033549012.db2.gz IUMSUBAVWYEDRF-UHFFFAOYSA-N 0 3 379.456 3.728 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+](C[C@H]1CCCO1)C[C@H]2c1ccc(O)cc1 ZINC001207894738 1034641230 /nfs/dbraw/zinc/64/12/30/1034641230.db2.gz VTOBBTGPYKSOBG-QAPCUYQASA-N 0 3 389.879 3.626 20 10 GHCDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+](C[C@H]1CCCO1)C[C@H]2c1ccc(O)cc1 ZINC001207894738 1034641239 /nfs/dbraw/zinc/64/12/39/1034641239.db2.gz VTOBBTGPYKSOBG-QAPCUYQASA-N 0 3 389.879 3.626 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231587571 1034741202 /nfs/dbraw/zinc/74/12/02/1034741202.db2.gz NGEPCRDEVPXCHI-DEOSSOPVSA-N 0 3 387.483 3.565 20 10 GHCDHN O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231587571 1034741215 /nfs/dbraw/zinc/74/12/15/1034741215.db2.gz NGEPCRDEVPXCHI-DEOSSOPVSA-N 0 3 387.483 3.565 20 10 GHCDHN O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3c([O-])ccc4ccccc43)C[C@@H]2C1 ZINC001231588090 1034741571 /nfs/dbraw/zinc/74/15/71/1034741571.db2.gz SHDCFRLGCJXAOJ-QZTJIDSGSA-N 0 3 378.497 3.811 20 10 GHCDHN COc1ccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c(OC)c1 ZINC001231589385 1034743355 /nfs/dbraw/zinc/74/33/55/1034743355.db2.gz HKNGKBUOUARRRN-UHFFFAOYSA-N 0 3 378.472 3.885 20 10 GHCDHN Cc1cccc(CN2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1O ZINC001231593731 1034749624 /nfs/dbraw/zinc/74/96/24/1034749624.db2.gz ZYFCVZHBWNBDLI-NZQKXSOJSA-N 0 3 382.504 3.684 20 10 GHCDHN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cccc(C)c1O ZINC001231595397 1034750251 /nfs/dbraw/zinc/75/02/51/1034750251.db2.gz YYFMOUCPKLOPQG-IBGZPJMESA-N 0 3 399.487 3.770 20 10 GHCDHN Cc1cc(C)c(CN2CCCn3cnc(COCc4ccco4)c3C2)c(O)c1 ZINC001231843856 1034937855 /nfs/dbraw/zinc/93/78/55/1034937855.db2.gz BDXVNVMOXGFUMD-UHFFFAOYSA-N 0 3 381.476 3.921 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CC1)CC(=O)N(C)c1ccccc12 ZINC001231851711 1034942298 /nfs/dbraw/zinc/94/22/98/1034942298.db2.gz GKYGIZTVVNZPEU-UHFFFAOYSA-N 0 3 393.531 3.662 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001231851555 1034942867 /nfs/dbraw/zinc/94/28/67/1034942867.db2.gz JCBMWRLKTZECND-JOCHJYFZSA-N 0 3 389.540 3.594 20 10 GHCDHN CCc1cc(CC)nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160622801 1035018761 /nfs/dbraw/zinc/01/87/61/1035018761.db2.gz GVPABTMMRBDGPE-NHCUHLMSSA-N 0 3 378.476 3.866 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1nc2ccc(Cl)nc2[nH]1)c1ccccc1O ZINC001160624921 1035019538 /nfs/dbraw/zinc/01/95/38/1035019538.db2.gz XCOLKWSBNFZDDS-QZTJIDSGSA-N 0 3 395.850 3.876 20 10 GHCDHN COCCN1CCC2(CCN(Cc3ccc(-n4c(C)ccc4C)cc3)CC2)C1=O ZINC001209517652 1035300100 /nfs/dbraw/zinc/30/01/00/1035300100.db2.gz IQNHWJIPHSJWBN-UHFFFAOYSA-N 0 3 395.547 3.555 20 10 GHCDHN CCC1=NC2(CCN(Cc3ccc(-n4c(C)ccc4C)cc3)CC2)C(=O)N1C ZINC001209517181 1035300377 /nfs/dbraw/zinc/30/03/77/1035300377.db2.gz ADYQCIGTRXYRQF-UHFFFAOYSA-N 0 3 378.520 3.709 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107222 1038891203 /nfs/dbraw/zinc/89/12/03/1038891203.db2.gz BJQMQTAYOGKEFK-IBGZPJMESA-N 0 3 395.341 3.830 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107222 1038891208 /nfs/dbraw/zinc/89/12/08/1038891208.db2.gz BJQMQTAYOGKEFK-IBGZPJMESA-N 0 3 395.341 3.830 20 10 GHCDHN CC(=O)N1CCCC[C@@]12CCCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233107222 1038891231 /nfs/dbraw/zinc/89/12/31/1038891231.db2.gz BJQMQTAYOGKEFK-IBGZPJMESA-N 0 3 395.341 3.830 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2cc(Br)cc(C)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001233108808 1038896617 /nfs/dbraw/zinc/89/66/17/1038896617.db2.gz PLELRGWBHARFFN-LPHOPBHVSA-N 0 3 395.341 3.829 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2cc(Br)cc(C)c2[O-])CCC[C@]12CCC(=O)N2C ZINC001233108808 1038896642 /nfs/dbraw/zinc/89/66/42/1038896642.db2.gz PLELRGWBHARFFN-LPHOPBHVSA-N 0 3 395.341 3.829 20 10 GHCDHN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)cc(C)c1[O-] ZINC001233110132 1038901098 /nfs/dbraw/zinc/90/10/98/1038901098.db2.gz VGVZKLFIVHAKDI-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)cc(C)c1[O-] ZINC001233110132 1038901101 /nfs/dbraw/zinc/90/11/01/1038901101.db2.gz VGVZKLFIVHAKDI-UHFFFAOYSA-N 0 3 387.318 3.810 20 10 GHCDHN COc1cc([O-])c(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1Br ZINC001233138583 1038917902 /nfs/dbraw/zinc/91/79/02/1038917902.db2.gz BHGUSCMDVCPIJO-OAHLLOKOSA-N 0 3 383.330 3.614 20 10 GHCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727194 1039570280 /nfs/dbraw/zinc/57/02/80/1039570280.db2.gz KGONVPQFJRUQEY-KRWDZBQOSA-N 0 3 375.387 3.846 20 10 GHCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727194 1039570293 /nfs/dbraw/zinc/57/02/93/1039570293.db2.gz KGONVPQFJRUQEY-KRWDZBQOSA-N 0 3 375.387 3.846 20 10 GHCDHN COc1ccc(O[C@@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)nc1 ZINC001233776126 1039607887 /nfs/dbraw/zinc/60/78/87/1039607887.db2.gz KFPPPRRPBVBZNX-OAHLLOKOSA-N 0 3 398.381 3.738 20 10 GHCDHN COc1ccc(O[C@@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)nc1 ZINC001233776126 1039607898 /nfs/dbraw/zinc/60/78/98/1039607898.db2.gz KFPPPRRPBVBZNX-OAHLLOKOSA-N 0 3 398.381 3.738 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(C3)CCN(C(=O)OC(C)(C)C)C4)c2c1 ZINC001234525094 1040101275 /nfs/dbraw/zinc/10/12/75/1040101275.db2.gz AQNDEMNAGSAUOV-UHFFFAOYSA-N 0 3 398.503 3.997 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)c2c1 ZINC001234526824 1040102097 /nfs/dbraw/zinc/10/20/97/1040102097.db2.gz ZVAQXLRGWUGIMN-UHFFFAOYSA-N 0 3 398.503 3.997 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)c2c1 ZINC001234526824 1040102103 /nfs/dbraw/zinc/10/21/03/1040102103.db2.gz ZVAQXLRGWUGIMN-UHFFFAOYSA-N 0 3 398.503 3.997 20 10 GHCDHN CCOC[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cn(CC)nc21 ZINC001234545210 1040117357 /nfs/dbraw/zinc/11/73/57/1040117357.db2.gz PFVACDNEEWOBEZ-GOSISDBHSA-N 0 3 395.503 3.906 20 10 GHCDHN CCOC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cn(CC)nc21 ZINC001234545210 1040117360 /nfs/dbraw/zinc/11/73/60/1040117360.db2.gz PFVACDNEEWOBEZ-GOSISDBHSA-N 0 3 395.503 3.906 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234568961 1040137036 /nfs/dbraw/zinc/13/70/36/1040137036.db2.gz IBKSXPOHZGGACK-DNVCBOLYSA-N 0 3 384.476 3.605 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234568961 1040137044 /nfs/dbraw/zinc/13/70/44/1040137044.db2.gz IBKSXPOHZGGACK-DNVCBOLYSA-N 0 3 384.476 3.605 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](Oc4ccnc(OC)c4)C3)c2c1 ZINC001234569020 1040137290 /nfs/dbraw/zinc/13/72/90/1040137290.db2.gz IUQWVIIRCFWUCW-SFHVURJKSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](Oc4ccnc(OC)c4)C3)c2c1 ZINC001234569020 1040137295 /nfs/dbraw/zinc/13/72/95/1040137295.db2.gz IUQWVIIRCFWUCW-SFHVURJKSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccnc(N2CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)c1 ZINC001234996324 1040490017 /nfs/dbraw/zinc/49/00/17/1040490017.db2.gz AOTKFCSTVZHHQG-UHFFFAOYSA-N 0 3 375.472 3.785 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c([O-])c1 ZINC001235674979 1041134601 /nfs/dbraw/zinc/13/46/01/1041134601.db2.gz KHLRTRDKALEJCQ-UHFFFAOYSA-N 0 3 393.531 3.618 20 10 GHCDHN CN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216427 1041625989 /nfs/dbraw/zinc/62/59/89/1041625989.db2.gz KRBNKPKICQVUJY-STQMWFEESA-N 0 3 381.236 3.875 20 10 GHCDHN COc1ccc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)c1 ZINC001256296665 1041690203 /nfs/dbraw/zinc/69/02/03/1041690203.db2.gz PZJOHBLQBZVMLX-UHFFFAOYSA-N 0 3 389.540 3.525 20 10 GHCDHN COc1ccc(CN(Cc2cc(Cl)ccc2[O-])C2CC[NH2+]CC2)cc1F ZINC001236517065 1041749705 /nfs/dbraw/zinc/74/97/05/1041749705.db2.gz PAVCDVXQLOICGU-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001236784272 1041890177 /nfs/dbraw/zinc/89/01/77/1041890177.db2.gz AYYKGDPIFGSZCE-HXUWFJFHSA-N 0 3 375.415 3.971 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236788074 1041893948 /nfs/dbraw/zinc/89/39/48/1041893948.db2.gz QLTHAYDXVUPBLU-XMMPIXPASA-N 0 3 378.516 3.888 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236788074 1041893955 /nfs/dbraw/zinc/89/39/55/1041893955.db2.gz QLTHAYDXVUPBLU-XMMPIXPASA-N 0 3 378.516 3.888 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)c([O-])c1 ZINC001236788142 1041894163 /nfs/dbraw/zinc/89/41/63/1041894163.db2.gz RYQYMVGKANWEMQ-UHFFFAOYSA-N 0 3 393.531 3.868 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809288 1041909540 /nfs/dbraw/zinc/90/95/40/1041909540.db2.gz VCQHKGCXUMIQRV-ZBFHGGJFSA-N 0 3 378.513 3.692 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809288 1041909542 /nfs/dbraw/zinc/90/95/42/1041909542.db2.gz VCQHKGCXUMIQRV-ZBFHGGJFSA-N 0 3 378.513 3.692 20 10 GHCDHN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001236821048 1041916061 /nfs/dbraw/zinc/91/60/61/1041916061.db2.gz QMBQEMGZJCXIBX-MRXNPFEDSA-N 0 3 378.513 3.931 20 10 GHCDHN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001236821048 1041916063 /nfs/dbraw/zinc/91/60/63/1041916063.db2.gz QMBQEMGZJCXIBX-MRXNPFEDSA-N 0 3 378.513 3.931 20 10 GHCDHN O=C1[C@@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001236829679 1041920431 /nfs/dbraw/zinc/92/04/31/1041920431.db2.gz JKVWMVQCCOBGFJ-RBBKRZOGSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001236829679 1041920434 /nfs/dbraw/zinc/92/04/34/1041920434.db2.gz JKVWMVQCCOBGFJ-RBBKRZOGSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3cc4ccccc4cc3[O-])[C@H]2C1 ZINC001236840201 1041924881 /nfs/dbraw/zinc/92/48/81/1041924881.db2.gz IQTYEEKHBMNGBG-QUCCMNQESA-N 0 3 376.456 3.875 20 10 GHCDHN O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3cc4ccccc4cc3[O-])[C@H]2C1 ZINC001236840201 1041924885 /nfs/dbraw/zinc/92/48/85/1041924885.db2.gz IQTYEEKHBMNGBG-QUCCMNQESA-N 0 3 376.456 3.875 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c([O-])c1 ZINC001237042115 1042001218 /nfs/dbraw/zinc/00/12/18/1042001218.db2.gz WHMJVUGOUUABEV-JOCHJYFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c([O-])c1 ZINC001237042115 1042001229 /nfs/dbraw/zinc/00/12/29/1042001229.db2.gz WHMJVUGOUUABEV-JOCHJYFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c([O-])c1 ZINC001237047987 1042006207 /nfs/dbraw/zinc/00/62/07/1042006207.db2.gz GUQUJXKFJPUZSM-FQEVSTJZSA-N 0 3 379.504 3.549 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)c([O-])c1 ZINC001237050061 1042008713 /nfs/dbraw/zinc/00/87/13/1042008713.db2.gz WZRGUKGBAUUTMQ-RBUKOAKNSA-N 0 3 390.524 3.726 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)c([O-])c1 ZINC001237050061 1042008720 /nfs/dbraw/zinc/00/87/20/1042008720.db2.gz WZRGUKGBAUUTMQ-RBUKOAKNSA-N 0 3 390.524 3.726 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c([O-])c1 ZINC001237052400 1042010424 /nfs/dbraw/zinc/01/04/24/1042010424.db2.gz XHIHVLZJQYTFGI-QFIPXVFZSA-N 0 3 390.524 3.727 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c([O-])c1 ZINC001237052400 1042010431 /nfs/dbraw/zinc/01/04/31/1042010431.db2.gz XHIHVLZJQYTFGI-QFIPXVFZSA-N 0 3 390.524 3.727 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001237052226 1042010870 /nfs/dbraw/zinc/01/08/70/1042010870.db2.gz SAPXVARJWPYUBY-PZJWPPBQSA-N 0 3 382.479 3.745 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001237052226 1042010876 /nfs/dbraw/zinc/01/08/76/1042010876.db2.gz SAPXVARJWPYUBY-PZJWPPBQSA-N 0 3 382.479 3.745 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001237054809 1042011419 /nfs/dbraw/zinc/01/14/19/1042011419.db2.gz FRKWJERIMHIWNQ-UHFFFAOYSA-N 0 3 393.409 3.602 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001237054809 1042011424 /nfs/dbraw/zinc/01/14/24/1042011424.db2.gz FRKWJERIMHIWNQ-UHFFFAOYSA-N 0 3 393.409 3.602 20 10 GHCDHN Oc1ccc(C(F)(F)F)cc1CN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001237137790 1042059568 /nfs/dbraw/zinc/05/95/68/1042059568.db2.gz UNAKTFAWFDMBFD-MJGOQNOKSA-N 0 3 394.393 3.618 20 10 GHCDHN O=C1[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2CN1c1ccccc1 ZINC001237138142 1042060488 /nfs/dbraw/zinc/06/04/88/1042060488.db2.gz ZUTPLCYNHGWHJH-YOEHRIQHSA-N 0 3 376.378 3.506 20 10 GHCDHN O=C1[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2CN1c1ccccc1 ZINC001237138142 1042060493 /nfs/dbraw/zinc/06/04/93/1042060493.db2.gz ZUTPLCYNHGWHJH-YOEHRIQHSA-N 0 3 376.378 3.506 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001237486152 1042229912 /nfs/dbraw/zinc/22/99/12/1042229912.db2.gz WLUHMXXSLVWEDG-GHTZIAJQSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001237486152 1042229913 /nfs/dbraw/zinc/22/99/13/1042229913.db2.gz WLUHMXXSLVWEDG-GHTZIAJQSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001237486155 1042229938 /nfs/dbraw/zinc/22/99/38/1042229938.db2.gz WLUHMXXSLVWEDG-NQIIRXRSSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001237486155 1042229940 /nfs/dbraw/zinc/22/99/40/1042229940.db2.gz WLUHMXXSLVWEDG-NQIIRXRSSA-N 0 3 378.488 3.872 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001237488982 1042232576 /nfs/dbraw/zinc/23/25/76/1042232576.db2.gz SXXUYNBLSZPIRC-LJQANCHMSA-N 0 3 382.504 3.793 20 10 GHCDHN CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237642698 1042300641 /nfs/dbraw/zinc/30/06/41/1042300641.db2.gz FLWIMNXOHHPBBO-IBGZPJMESA-N 0 3 385.435 3.543 20 10 GHCDHN CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237642698 1042300644 /nfs/dbraw/zinc/30/06/44/1042300644.db2.gz FLWIMNXOHHPBBO-IBGZPJMESA-N 0 3 385.435 3.543 20 10 GHCDHN Cc1cc(O)c(CN2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cc1Br ZINC001237677999 1042319342 /nfs/dbraw/zinc/31/93/42/1042319342.db2.gz GQRZBBGDMIGPDA-LPHOPBHVSA-N 0 3 396.325 3.623 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)cc1Br ZINC001237682000 1042322550 /nfs/dbraw/zinc/32/25/50/1042322550.db2.gz VMOILLHYUCGCFM-CABCVRRESA-N 0 3 387.277 3.631 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)cc1Br ZINC001237682000 1042322555 /nfs/dbraw/zinc/32/25/55/1042322555.db2.gz VMOILLHYUCGCFM-CABCVRRESA-N 0 3 387.277 3.631 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1[O-] ZINC001237682583 1042323803 /nfs/dbraw/zinc/32/38/03/1042323803.db2.gz BQWPCQPXTQXGTP-GHTZIAJQSA-N 0 3 388.895 3.952 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1[O-] ZINC001237682583 1042323809 /nfs/dbraw/zinc/32/38/09/1042323809.db2.gz BQWPCQPXTQXGTP-GHTZIAJQSA-N 0 3 388.895 3.952 20 10 GHCDHN Cc1cc([O-])c(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)cc1Br ZINC001237684356 1042325028 /nfs/dbraw/zinc/32/50/28/1042325028.db2.gz JAVWUBYVTUWGCX-UHFFFAOYSA-N 0 3 395.341 3.686 20 10 GHCDHN COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940735 1042431091 /nfs/dbraw/zinc/43/10/91/1042431091.db2.gz NFXCQDUDLPOKEH-UHFFFAOYSA-N 0 3 392.858 3.588 20 10 GHCDHN Cc1cc(F)cc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1[O-] ZINC001238063213 1042479907 /nfs/dbraw/zinc/47/99/07/1042479907.db2.gz YNXFEFJCMSUNOJ-KRWDZBQOSA-N 0 3 390.430 3.576 20 10 GHCDHN [O-]c1cccc2c1C[N@@H+](C1CCN(c3ncccc3C(F)(F)F)CC1)CC2 ZINC001256893641 1043726440 /nfs/dbraw/zinc/72/64/40/1043726440.db2.gz GCQIXHKDKFMVKV-UHFFFAOYSA-N 0 3 377.410 3.833 20 10 GHCDHN [O-]c1cccc2c1C[N@H+](C1CCN(c3ncccc3C(F)(F)F)CC1)CC2 ZINC001256893641 1043726446 /nfs/dbraw/zinc/72/64/46/1043726446.db2.gz GCQIXHKDKFMVKV-UHFFFAOYSA-N 0 3 377.410 3.833 20 10 GHCDHN COc1ccc(N2CCN(C3CCN(c4cccc(F)c4)CC3)CC2)c(C)c1 ZINC001258427597 1044561136 /nfs/dbraw/zinc/56/11/36/1044561136.db2.gz NNDJUGNKFQCYQT-UHFFFAOYSA-N 0 3 383.511 3.934 20 10 GHCDHN O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c(O)ccc(Cl)c2Cl)[nH]1 ZINC001279676348 1047909584 /nfs/dbraw/zinc/90/95/84/1047909584.db2.gz BAJMMAORNDRDCU-OKILXGFUSA-N 0 3 394.302 3.648 20 10 GHCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1c(C)cc(OC)cc1O ZINC001308561020 1050009696 /nfs/dbraw/zinc/00/96/96/1050009696.db2.gz LOORWAQPXZBCEH-UHFFFAOYSA-N 0 3 379.403 3.553 20 10 GHCDHN Cc1cc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c(C)n1-c1ccccc1 ZINC001312649504 1052826207 /nfs/dbraw/zinc/82/62/07/1052826207.db2.gz VUULZFGEXKJQBE-JOCHJYFZSA-N 0 3 380.536 3.910 20 10 GHCDHN CCCN1CCCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001318187563 1054483854 /nfs/dbraw/zinc/48/38/54/1054483854.db2.gz MGBVNFTZSBORFM-IBGZPJMESA-N 0 3 395.494 3.638 20 10 GHCDHN CN1CCN(c2ccc(CN3CCCO[C@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702749 1055409726 /nfs/dbraw/zinc/40/97/26/1055409726.db2.gz SHLZYNBGCVVLGN-QHCPKHFHSA-N 0 3 383.511 3.541 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1[O-] ZINC000848513051 1057142332 /nfs/dbraw/zinc/14/23/32/1057142332.db2.gz CTTCNEDBMSLKPG-AAEUAGOBSA-N 0 3 394.265 3.654 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1[O-] ZINC000848517535 1057144756 /nfs/dbraw/zinc/14/47/56/1057144756.db2.gz FFUNCOFPYQQFJW-NSHDSACASA-N 0 3 393.281 3.973 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1[O-] ZINC000848524978 1057148461 /nfs/dbraw/zinc/14/84/61/1057148461.db2.gz YTOGMWFFCQRVFS-UKRRQHHQSA-N 0 3 394.309 3.665 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1[O-] ZINC000848526179 1057149792 /nfs/dbraw/zinc/14/97/92/1057149792.db2.gz YOQJDSIYSAKZRV-NSHDSACASA-N 0 3 398.301 3.953 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CC(C)(C)Oc4ccc(N)cc43)cc2F)CC1 ZINC001325625289 1057347004 /nfs/dbraw/zinc/34/70/04/1057347004.db2.gz JTAHJOAFLWTEMP-FQEVSTJZSA-N 0 3 398.526 3.552 20 10 GHCDHN CCc1cccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1O ZINC000848909363 1057413719 /nfs/dbraw/zinc/41/37/19/1057413719.db2.gz RNFUTLGLUDRGMQ-UHFFFAOYSA-N 0 3 387.423 3.667 20 10 GHCDHN CCc1cccc(CNc2cc(N3CCOCC3)c(Br)cn2)c1O ZINC000848915076 1057417852 /nfs/dbraw/zinc/41/78/52/1057417852.db2.gz SEVKJLDISVUDOU-UHFFFAOYSA-N 0 3 392.297 3.561 20 10 GHCDHN Cc1cc(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)c(C)n1-c1ccccc1 ZINC001440677908 1058578694 /nfs/dbraw/zinc/57/86/94/1058578694.db2.gz VNLQQFRWSMSESY-DEOSSOPVSA-N 0 3 389.543 3.926 20 10 GHCDHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nc(C)cs1 ZINC001468686399 1067823391 /nfs/dbraw/zinc/82/33/91/1067823391.db2.gz OLHFREQIBTVWGL-ROUUACIJSA-N 0 3 389.569 3.571 20 10 GHCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@]2(C)Cc2ccc(F)cc2)cc1 ZINC001460275285 1068901908 /nfs/dbraw/zinc/90/19/08/1068901908.db2.gz ZRKKULDSLHITSR-QHCPKHFHSA-N 0 3 383.511 3.605 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3ccccc3c2)N(C)C)cc1 ZINC001472281463 1073396962 /nfs/dbraw/zinc/39/69/62/1073396962.db2.gz WLVBCCPIRZGMDV-OAQYLSRUSA-N 0 3 377.488 3.644 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CCC(F)(F)CC2)N(C)C)cc1 ZINC001479534172 1079224713 /nfs/dbraw/zinc/22/47/13/1079224713.db2.gz LLKSYXHQASRJKN-QGZVFWFLSA-N 0 3 382.499 3.623 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001473997094 1074230528 /nfs/dbraw/zinc/23/05/28/1074230528.db2.gz MKZGVXSWZHLRDO-SMOSDQRPSA-N 0 3 378.944 3.805 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC001474641655 1074495645 /nfs/dbraw/zinc/49/56/45/1074495645.db2.gz DXPWZXOOCOHOED-LBPRGKRZSA-N 0 3 387.318 3.808 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(OC(F)F)cc2)N(C)C)cc1 ZINC001475923496 1075049872 /nfs/dbraw/zinc/04/98/72/1075049872.db2.gz GWBBYDITEHXVCL-SFHVURJKSA-N 0 3 392.450 3.778 20 10 GHCDHN COc1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1O ZINC000737132386 598887492 /nfs/dbraw/zinc/88/74/92/598887492.db2.gz LLUOGYRJPJIAOB-UHFFFAOYSA-N 0 3 393.472 3.599 20 10 GHCDHN COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1O ZINC000826216113 608310193 /nfs/dbraw/zinc/31/01/93/608310193.db2.gz LDSFJERROJXQBK-UHFFFAOYSA-N 0 3 387.443 3.538 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000728948978 844273684 /nfs/dbraw/zinc/27/36/84/844273684.db2.gz LRXBDXFWVWJCGB-XYJFISCASA-N 0 3 383.492 3.597 20 10 GHCDHN CSc1cccc(F)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249535 839327373 /nfs/dbraw/zinc/32/73/73/839327373.db2.gz RMKIZCCEWPSALU-KRWDZBQOSA-N 0 3 375.513 3.646 20 10 GHCDHN CN1CCN(c2ccc(CNc3cc4c5c(c3)CCCN5CCC4)cc2)CC1 ZINC001167434707 840187142 /nfs/dbraw/zinc/18/71/42/840187142.db2.gz TVRJXMYARACQHZ-UHFFFAOYSA-N 0 3 376.548 3.749 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277078930 844615188 /nfs/dbraw/zinc/61/51/88/844615188.db2.gz JMOFGTVXOJUKDE-ZDUSSCGKSA-N 0 3 391.313 3.573 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@@H]1CCCO1 ZINC000189661726 841228208 /nfs/dbraw/zinc/22/82/08/841228208.db2.gz XPRHQMAKISOECS-AWEZNQCLSA-N 0 3 383.357 3.587 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@@H]1CCCO1 ZINC000189661726 841228215 /nfs/dbraw/zinc/22/82/15/841228215.db2.gz XPRHQMAKISOECS-AWEZNQCLSA-N 0 3 383.357 3.587 20 10 GHCDHN [O-]c1ccccc1C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000238109071 844006793 /nfs/dbraw/zinc/00/67/93/844006793.db2.gz XMRJXJXVUWPXIN-UHFFFAOYSA-N 0 3 392.478 3.543 20 10 GHCDHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157573556 846002288 /nfs/dbraw/zinc/00/22/88/846002288.db2.gz QVICBHJWRFEKEZ-QGZVFWFLSA-N 0 3 380.467 3.699 20 10 GHCDHN COc1cccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1O ZINC000280173443 846321161 /nfs/dbraw/zinc/32/11/61/846321161.db2.gz GEOIWJGGXDJTPA-AWEZNQCLSA-N 0 3 375.774 3.896 20 10 GHCDHN COc1cc(O)c(CN[C@@H]2CCOc3ccc(Br)cc32)cc1OC ZINC000271777548 846917088 /nfs/dbraw/zinc/91/70/88/846917088.db2.gz BBRVAEYEMHMISE-CQSZACIVSA-N 0 3 394.265 3.785 20 10 GHCDHN CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847382 861905488 /nfs/dbraw/zinc/90/54/88/861905488.db2.gz JVWWIGPWGWGFRQ-NRFANRHFSA-N 0 3 398.503 3.535 20 10 GHCDHN CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847382 861905519 /nfs/dbraw/zinc/90/55/19/861905519.db2.gz JVWWIGPWGWGFRQ-NRFANRHFSA-N 0 3 398.503 3.535 20 10 GHCDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588553247 848509630 /nfs/dbraw/zinc/50/96/30/848509630.db2.gz DEYGQLJIZGJWRB-UHFFFAOYSA-N 0 3 379.464 3.593 20 10 GHCDHN C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1 ZINC000732241187 862149183 /nfs/dbraw/zinc/14/91/83/862149183.db2.gz DRHMPLYXXBKRMD-LJQANCHMSA-N 0 3 380.536 3.607 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c([O-])c1 ZINC000760034298 854952674 /nfs/dbraw/zinc/95/26/74/854952674.db2.gz MHYLQWGAOZXAQZ-HOCLYGCPSA-N 0 3 378.310 3.965 20 10 GHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1cc(F)ccc1[O-] ZINC000760034884 855203484 /nfs/dbraw/zinc/20/34/84/855203484.db2.gz NTPKOKOTHGGMIV-STQMWFEESA-N 0 3 382.273 3.796 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc3c(=O)cc[nH]c3c2)c(C(F)(F)F)c1 ZINC000895205561 858747592 /nfs/dbraw/zinc/74/75/92/858747592.db2.gz TTYPVHKTWVJCQV-UHFFFAOYSA-N 0 3 375.394 3.903 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000733613273 863063213 /nfs/dbraw/zinc/06/32/13/863063213.db2.gz IPZBCLFEFIOBLC-UHFFFAOYSA-N 0 3 395.547 3.861 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000733613273 863063228 /nfs/dbraw/zinc/06/32/28/863063228.db2.gz IPZBCLFEFIOBLC-UHFFFAOYSA-N 0 3 395.547 3.861 20 10 GHCDHN COc1ccc(CNCc2ccc(OC)c(OC)c2C)cc1Cn1cccn1 ZINC000922966284 858897197 /nfs/dbraw/zinc/89/71/97/858897197.db2.gz JMEUPKSNYLQDFC-UHFFFAOYSA-N 0 3 381.476 3.555 20 10 GHCDHN COc1ccc(C2([NH2+]Cc3cc(Cl)cc(OC)c3[O-])CCOCC2)cc1 ZINC000761208361 859187694 /nfs/dbraw/zinc/18/76/94/859187694.db2.gz ZRAYPPNRRJSZHU-UHFFFAOYSA-N 0 3 377.868 3.858 20 10 GHCDHN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCOc4ccc(F)cc43)cc2)C1 ZINC000765241898 859861031 /nfs/dbraw/zinc/86/10/31/859861031.db2.gz GSXKSXLHSQUSGX-DYESRHJHSA-N 0 3 397.494 3.531 20 10 GHCDHN CC(C)C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000765243991 859861870 /nfs/dbraw/zinc/86/18/70/859861870.db2.gz LYURQKIMRMXQHO-UGKGYDQZSA-N 0 3 380.536 3.660 20 10 GHCDHN Cc1ccc2c(CN(C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1C ZINC000153028621 881556011 /nfs/dbraw/zinc/55/60/11/881556011.db2.gz OJHZXYKRCAIBSL-UHFFFAOYSA-N 0 3 392.499 3.878 20 10 GHCDHN CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000730017299 860839922 /nfs/dbraw/zinc/83/99/22/860839922.db2.gz AMNNBMYUUDUSTH-UHFFFAOYSA-N 0 3 397.496 3.631 20 10 GHCDHN COc1ccc(O)c(CNCc2cc(OC)ccc2OCc2ccccn2)c1 ZINC000114505935 881627860 /nfs/dbraw/zinc/62/78/60/881627860.db2.gz OIPOGXQTMTWJLY-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN Cc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000184218413 864245017 /nfs/dbraw/zinc/24/50/17/864245017.db2.gz BJUYKACYTMNSCQ-UHFFFAOYSA-N 0 3 396.579 3.548 20 10 GHCDHN Cc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c(C)n1-c1ccccn1 ZINC000734464439 864245568 /nfs/dbraw/zinc/24/55/68/864245568.db2.gz UKGNSSMKJGZXRY-UHFFFAOYSA-N 0 3 380.536 3.826 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc2ccccc2c1[O-] ZINC000184968768 865082427 /nfs/dbraw/zinc/08/24/27/865082427.db2.gz KDIMSRATYGJCNL-KRWDZBQOSA-N 0 3 376.504 3.543 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000740909211 866082589 /nfs/dbraw/zinc/08/25/89/866082589.db2.gz KAJQYLCJAQSHFF-SIKLNZKXSA-N 0 3 390.531 3.698 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000741785153 866787408 /nfs/dbraw/zinc/78/74/08/866787408.db2.gz NNFZTELHVPHYHH-HKUYNNGSSA-N 0 3 390.524 3.630 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000741785153 866787411 /nfs/dbraw/zinc/78/74/11/866787411.db2.gz NNFZTELHVPHYHH-HKUYNNGSSA-N 0 3 390.524 3.630 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cc(F)ccc1[O-] ZINC000793560116 882267345 /nfs/dbraw/zinc/26/73/45/882267345.db2.gz MJHWCIHHUXQVIN-WHEQGISXSA-N 0 3 397.450 3.607 20 10 GHCDHN C[C@@H](NCCCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000766381502 870668591 /nfs/dbraw/zinc/66/85/91/870668591.db2.gz KFTWUOORCVQPCR-OAHLLOKOSA-N 0 3 382.932 3.949 20 10 GHCDHN COc1ccc(N2CCC(NCc3nc4cccc(Cl)c4n3C)CC2)cc1 ZINC000775559262 870818077 /nfs/dbraw/zinc/81/80/77/870818077.db2.gz URLWUNKNAORACE-UHFFFAOYSA-N 0 3 384.911 3.994 20 10 GHCDHN COc1ccc(N2CCC(N[C@@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)cc1 ZINC000775567694 870865522 /nfs/dbraw/zinc/86/55/22/870865522.db2.gz KASJWQPRDIMJIW-HSZRJFAPSA-N 0 3 394.494 3.916 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC000182338467 872229099 /nfs/dbraw/zinc/22/90/99/872229099.db2.gz XAQHGNCWDOOWIX-INIZCTEOSA-N 0 3 380.444 3.878 20 10 GHCDHN CN(C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000101769687 872247357 /nfs/dbraw/zinc/24/73/57/872247357.db2.gz MFAQZGPWXWPHEL-OAQYLSRUSA-N 0 3 393.487 4.000 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1[O-] ZINC000775660575 872450966 /nfs/dbraw/zinc/45/09/66/872450966.db2.gz FORKHFGSKIHTIF-UHFFFAOYSA-N 0 3 379.932 3.950 20 10 GHCDHN Cc1cc(Cl)cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c1O ZINC000775660575 872450972 /nfs/dbraw/zinc/45/09/72/872450972.db2.gz FORKHFGSKIHTIF-UHFFFAOYSA-N 0 3 379.932 3.950 20 10 GHCDHN Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1C ZINC000768014957 873026473 /nfs/dbraw/zinc/02/64/73/873026473.db2.gz CZGVQVJTOLYGOP-UHFFFAOYSA-N 0 3 387.549 3.635 20 10 GHCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775723465 873158076 /nfs/dbraw/zinc/15/80/76/873158076.db2.gz GQSBVXDUQWDGCB-ZDUSSCGKSA-N 0 3 392.849 3.977 20 10 GHCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775723465 873158079 /nfs/dbraw/zinc/15/80/79/873158079.db2.gz GQSBVXDUQWDGCB-ZDUSSCGKSA-N 0 3 392.849 3.977 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768465265 873330051 /nfs/dbraw/zinc/33/00/51/873330051.db2.gz YTMWGWRIJVLFQC-UGSOOPFHSA-N 0 3 396.270 3.778 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768465265 873330062 /nfs/dbraw/zinc/33/00/62/873330062.db2.gz YTMWGWRIJVLFQC-UGSOOPFHSA-N 0 3 396.270 3.778 20 10 GHCDHN Cc1ccc(CC[N@H+](Cc2ccco2)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768467089 873331836 /nfs/dbraw/zinc/33/18/36/873331836.db2.gz YGJIEYAFQXDEJB-JOCHJYFZSA-N 0 3 379.456 3.964 20 10 GHCDHN Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768467089 873331846 /nfs/dbraw/zinc/33/18/46/873331846.db2.gz YGJIEYAFQXDEJB-JOCHJYFZSA-N 0 3 379.456 3.964 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775829104 874286096 /nfs/dbraw/zinc/28/60/96/874286096.db2.gz XIAAROPGUWYLCN-CYBMUJFWSA-N 0 3 381.398 3.941 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)c2)CC1 ZINC000770152385 874467380 /nfs/dbraw/zinc/46/73/80/874467380.db2.gz HQHOUOBCNSOZFA-UHFFFAOYSA-N 0 3 399.445 3.895 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cnc(C4CCCC4)s3)cc2)C1 ZINC001199608805 875076287 /nfs/dbraw/zinc/07/62/87/875076287.db2.gz MCSNWWRAYUNQLA-SFHVURJKSA-N 0 3 398.576 3.792 20 10 GHCDHN Cc1oc(C(C)(C)C)cc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001199609655 875077332 /nfs/dbraw/zinc/07/73/32/875077332.db2.gz VSGAGBDQSHDPFZ-SFHVURJKSA-N 0 3 383.536 3.877 20 10 GHCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000776081899 875311030 /nfs/dbraw/zinc/31/10/30/875311030.db2.gz UYNXGTPZRKEOFB-LJQANCHMSA-N 0 3 394.563 3.947 20 10 GHCDHN CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000776220323 875908940 /nfs/dbraw/zinc/90/89/40/875908940.db2.gz UVNNXNCFLUHPLF-UHFFFAOYSA-N 0 3 377.868 3.628 20 10 GHCDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001201880889 875919722 /nfs/dbraw/zinc/91/97/22/875919722.db2.gz GPKPJWZXXOGXGL-MRXNPFEDSA-N 0 3 387.547 3.688 20 10 GHCDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000776248561 876044406 /nfs/dbraw/zinc/04/44/06/876044406.db2.gz JKWXMLAUNCMUFA-KRWDZBQOSA-N 0 3 386.515 3.726 20 10 GHCDHN CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858284299 883000629 /nfs/dbraw/zinc/00/06/29/883000629.db2.gz ZPXKHBNSUMEYHD-NRFANRHFSA-N 0 3 394.475 3.502 20 10 GHCDHN Oc1cc2c(cc1CN[C@@H]1CSCc3ccc(Br)cc31)OCO2 ZINC000850376084 876860640 /nfs/dbraw/zinc/86/06/40/876860640.db2.gz WJHRANJDOAMLCE-CQSZACIVSA-N 0 3 394.290 3.961 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1OCC(C)C ZINC000850404990 876885370 /nfs/dbraw/zinc/88/53/70/876885370.db2.gz HEYUAEGGZJJPNG-UHFFFAOYSA-N 0 3 398.547 3.981 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cc(F)cc(Br)c3)cc2)CC1 ZINC000850406593 876888086 /nfs/dbraw/zinc/88/80/86/876888086.db2.gz MRLNWUIVVCXSGB-UHFFFAOYSA-N 0 3 393.300 3.839 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1[O-] ZINC000850560068 877027323 /nfs/dbraw/zinc/02/73/23/877027323.db2.gz BPHUGFFNYQUYOA-FZKQIMNGSA-N 0 3 386.330 3.681 20 10 GHCDHN C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000179648293 877800749 /nfs/dbraw/zinc/80/07/49/877800749.db2.gz JGQAHYRABBZFMO-KRWDZBQOSA-N 0 3 393.443 3.726 20 10 GHCDHN C[C@@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000179648293 877800760 /nfs/dbraw/zinc/80/07/60/877800760.db2.gz JGQAHYRABBZFMO-KRWDZBQOSA-N 0 3 393.443 3.726 20 10 GHCDHN Cc1cc(C(=O)Nc2nn(C)c(C)c2CN)c(C)n1-c1cccc(C(C)C)c1 ZINC000852900325 878651241 /nfs/dbraw/zinc/65/12/41/878651241.db2.gz VEBABXLDAKPECP-UHFFFAOYSA-N 0 3 379.508 3.970 20 10 GHCDHN CCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000763431072 884072801 /nfs/dbraw/zinc/07/28/01/884072801.db2.gz ABLVBLBUFHEDLC-GOSISDBHSA-N 0 3 375.900 3.594 20 10 GHCDHN OC[C@@H]1COc2ccccc2[C@@H]1NCc1ccc(OCc2ccccc2)cc1O ZINC000897947514 884523937 /nfs/dbraw/zinc/52/39/37/884523937.db2.gz NDEUYXUEAIIBSS-NTKDMRAZSA-N 0 3 391.467 3.803 20 10 GHCDHN C[C@@H](NC(=O)NCCCSc1nccs1)[C@H](c1ccccc1)N(C)C ZINC000806959601 885115500 /nfs/dbraw/zinc/11/55/00/885115500.db2.gz YQSIGIJMERXIME-GDBMZVCRSA-N 0 3 378.567 3.616 20 10 GHCDHN CSCC[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)N(C)C ZINC000808439159 886346921 /nfs/dbraw/zinc/34/69/21/886346921.db2.gz YNDNKIXMLBUQNR-NRFANRHFSA-N 0 3 397.588 3.549 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1[O-] ZINC000862547824 886459313 /nfs/dbraw/zinc/45/93/13/886459313.db2.gz QHLCQQBIAFQFIR-GOSISDBHSA-N 0 3 394.309 3.521 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1[O-] ZINC000808682789 886640383 /nfs/dbraw/zinc/64/03/83/886640383.db2.gz VOQZDUZHIFFMGH-HNNXBMFYSA-N 0 3 388.895 3.677 20 10 GHCDHN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])s1 ZINC000809721210 887745252 /nfs/dbraw/zinc/74/52/52/887745252.db2.gz NWZRYOAUUPDZGT-WDEREUQCSA-N 0 3 382.917 3.521 20 10 GHCDHN CN1CCN(c2ccc(CN3CCCC[C@H]3c3nnc(C4CCC4)o3)cc2)CC1 ZINC000809726217 887753116 /nfs/dbraw/zinc/75/31/16/887753116.db2.gz FXYQUCCNQOCSEO-NRFANRHFSA-N 0 3 395.551 3.816 20 10 GHCDHN C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)NC(=O)OC(C)(C)C ZINC000794825842 888264326 /nfs/dbraw/zinc/26/43/26/888264326.db2.gz PYKMHXHYMPNPOL-CABCVRRESA-N 0 3 397.947 3.740 20 10 GHCDHN COc1ccc(N2CCCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)cc1 ZINC000056601035 888369496 /nfs/dbraw/zinc/36/94/96/888369496.db2.gz KOUHNBHLCKPWSB-UHFFFAOYSA-N 0 3 382.508 3.501 20 10 GHCDHN CCC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(C)ccn1 ZINC000866239191 888792570 /nfs/dbraw/zinc/79/25/70/888792570.db2.gz SNFMSMTYVBIDRS-PZJWPPBQSA-N 0 3 380.536 3.723 20 10 GHCDHN CCC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(C)ccn1 ZINC000866239188 888792607 /nfs/dbraw/zinc/79/26/07/888792607.db2.gz SNFMSMTYVBIDRS-FPOVZHCZSA-N 0 3 380.536 3.723 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000866484798 888901554 /nfs/dbraw/zinc/90/15/54/888901554.db2.gz DVMZFMNNOOQODC-KBPBESRZSA-N 0 3 385.439 3.921 20 10 GHCDHN COC(=O)Nc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000287592846 913432040 /nfs/dbraw/zinc/43/20/40/913432040.db2.gz RQDVIMNMKDOHMO-OAHLLOKOSA-N 0 3 387.455 3.691 20 10 GHCDHN COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747867199 891881677 /nfs/dbraw/zinc/88/16/77/891881677.db2.gz PTTQSQOCQYVQFS-DLBZAZTESA-N 0 3 397.519 3.902 20 10 GHCDHN COc1cc(NC(C)=O)ccc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747867203 891881714 /nfs/dbraw/zinc/88/17/14/891881714.db2.gz PTTQSQOCQYVQFS-SJORKVTESA-N 0 3 397.519 3.902 20 10 GHCDHN CC(C)Cc1ccc([C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)N(C)C)cc1 ZINC000813752678 891923206 /nfs/dbraw/zinc/92/32/06/891923206.db2.gz LOJQESXVUSKRKZ-VUBAQRPUSA-N 0 3 382.504 3.729 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC000814177100 892334513 /nfs/dbraw/zinc/33/45/13/892334513.db2.gz XRGIPOUDXQEGPA-SJLPKXTDSA-N 0 3 377.504 3.723 20 10 GHCDHN C[C@H](SCc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134681631 893217226 /nfs/dbraw/zinc/21/72/26/893217226.db2.gz BYSSNONNKBHLHU-LAUBAEHRSA-N 0 3 385.577 3.793 20 10 GHCDHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134682207 893219695 /nfs/dbraw/zinc/21/96/95/893219695.db2.gz ZYXXFLXEYQZHMV-IBGZPJMESA-N 0 3 383.467 3.979 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000918229913 893372982 /nfs/dbraw/zinc/37/29/82/893372982.db2.gz VHJMTEMSNXBZSO-UHFFFAOYSA-N 0 3 382.552 3.806 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccnc(OC4CCCC4)c3)cc2)CC1 ZINC000876928381 893391047 /nfs/dbraw/zinc/39/10/47/893391047.db2.gz BUELWVQGTWAWBT-UHFFFAOYSA-N 0 3 381.520 3.654 20 10 GHCDHN OC1CCN(c2ccc(CN[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)CC1 ZINC000876979155 893419175 /nfs/dbraw/zinc/41/91/75/893419175.db2.gz VUISKHGXGPCGCO-DHIUTWEWSA-N 0 3 384.495 3.797 20 10 GHCDHN C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccc1[O-] ZINC000877756261 893793226 /nfs/dbraw/zinc/79/32/26/893793226.db2.gz CORGMVWKXUJOBS-MRXNPFEDSA-N 0 3 390.911 3.607 20 10 GHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000815594062 894032651 /nfs/dbraw/zinc/03/26/51/894032651.db2.gz DTXUNDMLARUXGL-HXUWFJFHSA-N 0 3 395.547 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1[O-] ZINC000816625923 894955583 /nfs/dbraw/zinc/95/55/83/894955583.db2.gz QCYAAVVKONBJOK-LBPRGKRZSA-N 0 3 376.840 3.862 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648492 895201037 /nfs/dbraw/zinc/20/10/37/895201037.db2.gz RFINJIBNSXDIRT-GDBMZVCRSA-N 0 3 378.476 3.873 20 10 GHCDHN Cc1cc(CNCc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccccc1 ZINC000818340103 896119905 /nfs/dbraw/zinc/11/99/05/896119905.db2.gz JMQFXJRAKFGZQV-UHFFFAOYSA-N 0 3 383.517 3.755 20 10 GHCDHN C[C@H](N[C@H](Cn1ccnc1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387224 897550454 /nfs/dbraw/zinc/55/04/54/897550454.db2.gz UFAOXDLHWHZDBQ-PGRDOPGGSA-N 0 3 394.494 3.951 20 10 GHCDHN COc1ccc(-n2cc(CNCc3ccc(N4CCSCC4)cc3)cn2)cc1 ZINC000823666796 899177583 /nfs/dbraw/zinc/17/75/83/899177583.db2.gz RUGNRNKKNGLWSY-UHFFFAOYSA-N 0 3 394.544 3.724 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824695905 899772262 /nfs/dbraw/zinc/77/22/62/899772262.db2.gz DKSJRVFMRLHRFJ-XHSDSOJGSA-N 0 3 384.314 3.679 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824695905 899772267 /nfs/dbraw/zinc/77/22/67/899772267.db2.gz DKSJRVFMRLHRFJ-XHSDSOJGSA-N 0 3 384.314 3.679 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1[O-] ZINC000825085829 899969070 /nfs/dbraw/zinc/96/90/70/899969070.db2.gz NLONVOYSIGXIML-GDBMZVCRSA-N 0 3 393.281 3.568 20 10 GHCDHN COc1cc(CN[C@H](C[S@](C)=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000825450920 900171977 /nfs/dbraw/zinc/17/19/77/900171977.db2.gz MZFHQGJHXAISBH-BCHFMIIMSA-N 0 3 375.534 3.908 20 10 GHCDHN C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc(F)ccc1[O-] ZINC000290063893 914504425 /nfs/dbraw/zinc/50/44/25/914504425.db2.gz FSDVFAVVYZZION-CQSZACIVSA-N 0 3 397.450 3.751 20 10 GHCDHN C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000128782910 902716210 /nfs/dbraw/zinc/71/62/10/902716210.db2.gz NHLJGPGLNOXNIA-INIZCTEOSA-N 0 3 385.483 3.531 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000779039069 903388494 /nfs/dbraw/zinc/38/84/94/903388494.db2.gz PIOZCSRRSMAUEX-BFUOFWGJSA-N 0 3 376.294 3.948 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000779052421 903596778 /nfs/dbraw/zinc/59/67/78/903596778.db2.gz PYTNSTWTMCXXRL-LLVKDONJSA-N 0 3 382.327 3.659 20 10 GHCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779052087 903598008 /nfs/dbraw/zinc/59/80/08/903598008.db2.gz MMTNUXYTYWFLOJ-IHRRRGAJSA-N 0 3 399.329 3.981 20 10 GHCDHN OC1CCN(c2ccc(CN[C@@H]3CSCCc4ccccc43)cc2F)CC1 ZINC000151543835 904153086 /nfs/dbraw/zinc/15/30/86/904153086.db2.gz QVCJRMVHVCMEOE-OAQYLSRUSA-N 0 3 386.536 3.907 20 10 GHCDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1NCc1cc2ccccc2cc1O ZINC001171402122 904505676 /nfs/dbraw/zinc/50/56/76/904505676.db2.gz FUAONLMLASPOGS-UHFFFAOYSA-N 0 3 378.476 3.996 20 10 GHCDHN COc1ccc(N2CCN(C3C[C@@H]4C=C[C@H](C3)N4C(=O)OC(C)(C)C)CC2)cc1 ZINC001172811558 905844783 /nfs/dbraw/zinc/84/47/83/905844783.db2.gz SYBJTFKYXSWZTQ-YOFSQIOKSA-N 0 3 399.535 3.524 20 10 GHCDHN C[C@@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1ccccc1[O-] ZINC001173009753 906085220 /nfs/dbraw/zinc/08/52/20/906085220.db2.gz QASHPWSXRKPMDY-GFCCVEGCSA-N 0 3 377.391 3.898 20 10 GHCDHN O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCc4cccc([O-])c4C3)CC2)c(F)c1 ZINC001173015878 906094127 /nfs/dbraw/zinc/09/41/27/906094127.db2.gz VVKVYRQOSSNDNZ-UHFFFAOYSA-N 0 3 389.402 3.606 20 10 GHCDHN O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCc4cccc([O-])c4C3)CC2)c(F)c1 ZINC001173015878 906094145 /nfs/dbraw/zinc/09/41/45/906094145.db2.gz VVKVYRQOSSNDNZ-UHFFFAOYSA-N 0 3 389.402 3.606 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1[O-] ZINC000185181024 907727448 /nfs/dbraw/zinc/72/74/48/907727448.db2.gz FVOMNKVRXKOFFJ-JYJNAYRXSA-N 0 3 386.467 3.632 20 10 GHCDHN COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)cc1OC ZINC000186055417 907872793 /nfs/dbraw/zinc/87/27/93/907872793.db2.gz UXGZGTABECPZEI-INIZCTEOSA-N 0 3 398.503 3.673 20 10 GHCDHN COc1cc(C)cc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1O ZINC001180325874 910100521 /nfs/dbraw/zinc/10/05/21/910100521.db2.gz CRJVWOLZEDZEGM-INIZCTEOSA-N 0 3 395.286 3.911 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246270357 910208704 /nfs/dbraw/zinc/20/87/04/910208704.db2.gz RTFAINJMWFSPFP-RTBURBONSA-N 0 3 392.293 3.688 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246270357 910208712 /nfs/dbraw/zinc/20/87/12/910208712.db2.gz RTFAINJMWFSPFP-RTBURBONSA-N 0 3 392.293 3.688 20 10 GHCDHN CN1CCC([N@H+](Cc2ccco2)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001181534233 910824245 /nfs/dbraw/zinc/82/42/45/910824245.db2.gz HPISFTCKJYZWAK-UHFFFAOYSA-N 0 3 397.288 3.983 20 10 GHCDHN CN1CCC([N@@H+](Cc2ccco2)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001181534233 910824257 /nfs/dbraw/zinc/82/42/57/910824257.db2.gz HPISFTCKJYZWAK-UHFFFAOYSA-N 0 3 397.288 3.983 20 10 GHCDHN Fc1ccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c(F)c1 ZINC000092093079 911396166 /nfs/dbraw/zinc/39/61/66/911396166.db2.gz XBBHXTWGLDQCTG-UHFFFAOYSA-N 0 3 388.458 3.845 20 10 GHCDHN COC(=O)c1coc([C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000774209640 911495420 /nfs/dbraw/zinc/49/54/20/911495420.db2.gz NUMXRSPKCPCXKJ-UKRRQHHQSA-N 0 3 394.418 3.987 20 10 GHCDHN C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000774490233 911794028 /nfs/dbraw/zinc/79/40/28/911794028.db2.gz GIFFOVQMCPQPGU-JTQLQIEISA-N 0 3 391.386 3.804 20 10 GHCDHN CCC[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000775260107 916706496 /nfs/dbraw/zinc/70/64/96/916706496.db2.gz NAWZRDQIBJVVLI-XXBNENTESA-N 0 3 395.547 3.831 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2ccc(C(C)(C)C)cc2)c1 ZINC000775369391 917207772 /nfs/dbraw/zinc/20/77/72/917207772.db2.gz AOTCATLVUZDLRB-INIZCTEOSA-N 0 3 384.520 3.708 20 10 GHCDHN COc1ccc([C@@H](CCO)NCc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000296402195 918232455 /nfs/dbraw/zinc/23/24/55/918232455.db2.gz VWJUNUDDKIUDNJ-HSZRJFAPSA-N 0 3 384.520 3.524 20 10 GHCDHN COCCOC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCOCC1 ZINC000296646186 918534420 /nfs/dbraw/zinc/53/44/20/918534420.db2.gz YLYOUDRTILELLR-JOCHJYFZSA-N 0 3 399.531 3.868 20 10 GHCDHN C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCCC1 ZINC000114272103 919387565 /nfs/dbraw/zinc/38/75/65/919387565.db2.gz ZRJWXXPKISBIPM-MRXNPFEDSA-N 0 3 395.494 3.638 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000369140096 923144493 /nfs/dbraw/zinc/14/44/93/923144493.db2.gz OMZHFDNIHZFYMC-JOCHJYFZSA-N 0 3 393.487 3.640 20 10 GHCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)[C@H]1CCN(C2CCOCC2)C1=O ZINC000370500333 924130692 /nfs/dbraw/zinc/13/06/92/924130692.db2.gz QJDKNCNAPMVYKU-AVRDEDQJSA-N 0 3 394.515 3.735 20 10 GHCDHN CCOc1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cc(Cl)c1[O-] ZINC000826846291 924239450 /nfs/dbraw/zinc/23/94/50/924239450.db2.gz SEPDRDOYMZQETL-OAHLLOKOSA-N 0 3 376.884 3.821 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000749180216 924398858 /nfs/dbraw/zinc/39/88/58/924398858.db2.gz ZQFMKCMQZTZFKS-QFIPXVFZSA-N 0 3 394.563 3.797 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1[O-] ZINC000373490106 926188123 /nfs/dbraw/zinc/18/81/23/926188123.db2.gz OFGLRCTZRGAXHH-UHFFFAOYSA-N 0 3 392.849 3.949 20 10 GHCDHN CCOc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c([O-])c1 ZINC000725851693 926467615 /nfs/dbraw/zinc/46/76/15/926467615.db2.gz WGINBRHRKYGDNJ-UHFFFAOYSA-N 0 3 393.281 3.672 20 10 GHCDHN CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749287393 927035332 /nfs/dbraw/zinc/03/53/32/927035332.db2.gz LIPMPWFBCPRKSH-UHFFFAOYSA-N 0 3 381.497 3.894 20 10 GHCDHN C[C@@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000749884192 927329623 /nfs/dbraw/zinc/32/96/23/927329623.db2.gz RIPYJHOWTNAVEH-IIBYNOLFSA-N 0 3 399.922 3.633 20 10 GHCDHN Nc1ccc(F)c(NC(=O)CCN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000751479567 928213255 /nfs/dbraw/zinc/21/32/55/928213255.db2.gz ROMMDVSIPLAQET-UHFFFAOYSA-N 0 3 383.423 3.738 20 10 GHCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000753545256 929402904 /nfs/dbraw/zinc/40/29/04/929402904.db2.gz CSJUJIOEJWOKRE-HXUWFJFHSA-N 0 3 381.472 3.746 20 10 GHCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000757628421 929750003 /nfs/dbraw/zinc/75/00/03/929750003.db2.gz WBIOMNJQFZNGCO-KNQAVFIVSA-N 0 3 392.547 3.749 20 10 GHCDHN O=C1NCCc2ccc(C[NH2+]Cc3ccc(OCc4ccccc4)cc3[O-])cc21 ZINC000757943651 929863353 /nfs/dbraw/zinc/86/33/53/929863353.db2.gz QWEKCTQIURVRFH-UHFFFAOYSA-N 0 3 388.467 3.547 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000780574965 930550776 /nfs/dbraw/zinc/55/07/76/930550776.db2.gz VMMPTZQPFUQFIE-UHFFFAOYSA-N 0 3 384.476 3.941 20 10 GHCDHN Cc1cc(CCNC(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000781356578 930811393 /nfs/dbraw/zinc/81/13/93/930811393.db2.gz QQZJOGTUHQVROC-SFHVURJKSA-N 0 3 380.536 3.586 20 10 GHCDHN COc1cc(Br)cc(CN[C@@H]2CCOc3c(F)cccc32)c1O ZINC000782542673 931262833 /nfs/dbraw/zinc/26/28/33/931262833.db2.gz RGNDUAAAZWBALO-CQSZACIVSA-N 0 3 382.229 3.916 20 10 GHCDHN Cc1ccc(C(C)(C)CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001221789867 1032535388 /nfs/dbraw/zinc/53/53/88/1032535388.db2.gz JCTSACCLLNJXAQ-QFIPXVFZSA-N 0 3 396.579 3.941 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204275722 1032716306 /nfs/dbraw/zinc/71/63/06/1032716306.db2.gz AANWHLCYLHNRJM-OAQYLSRUSA-N 0 3 376.497 3.711 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204275722 1032716321 /nfs/dbraw/zinc/71/63/21/1032716321.db2.gz AANWHLCYLHNRJM-OAQYLSRUSA-N 0 3 376.497 3.711 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276556 1032716392 /nfs/dbraw/zinc/71/63/92/1032716392.db2.gz MZNKURUIEZRVEO-LJQANCHMSA-N 0 3 398.450 3.566 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276556 1032716406 /nfs/dbraw/zinc/71/64/06/1032716406.db2.gz MZNKURUIEZRVEO-LJQANCHMSA-N 0 3 398.450 3.566 20 10 GHCDHN CN(Cc1ccc(N2CCCC2)cc1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001204329146 1032771035 /nfs/dbraw/zinc/77/10/35/1032771035.db2.gz YRSTUYAMZYWNTO-XMMPIXPASA-N 0 3 379.548 3.620 20 10 GHCDHN CCOc1cccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1O ZINC000778112060 1018597402 /nfs/dbraw/zinc/59/74/02/1018597402.db2.gz BHLJUZFCNKYFEL-INIZCTEOSA-N 0 3 395.286 3.993 20 10 GHCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1c1ccc(OC(F)F)cc1 ZINC000834602319 1021302809 /nfs/dbraw/zinc/30/28/09/1021302809.db2.gz OUMAQPPMZWJCAB-DLBZAZTESA-N 0 3 388.414 3.766 20 10 GHCDHN C[C@H](c1ccccc1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140285440 1021317096 /nfs/dbraw/zinc/31/70/96/1021317096.db2.gz KICASJJYAIHVBG-HXUWFJFHSA-N 0 3 379.548 3.527 20 10 GHCDHN CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3c([O-])cccc3Cl)CC[C@@H]21 ZINC001140340682 1021449112 /nfs/dbraw/zinc/44/91/12/1021449112.db2.gz ZWYJWYBVQQBWED-UWVAXJGDSA-N 0 3 388.943 3.616 20 10 GHCDHN CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3c([O-])cccc3Cl)CC[C@@H]21 ZINC001140340682 1021449119 /nfs/dbraw/zinc/44/91/19/1021449119.db2.gz ZWYJWYBVQQBWED-UWVAXJGDSA-N 0 3 388.943 3.616 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1[O-] ZINC000834883922 1021610321 /nfs/dbraw/zinc/61/03/21/1021610321.db2.gz RUKOBYGFNHHGKD-GFCCVEGCSA-N 0 3 398.322 3.717 20 10 GHCDHN CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)cc1 ZINC000834886439 1021615563 /nfs/dbraw/zinc/61/55/63/1021615563.db2.gz LDLOXDBUPXYANY-OAQYLSRUSA-N 0 3 379.504 3.592 20 10 GHCDHN CN(C)C(=O)COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725845525 1022385924 /nfs/dbraw/zinc/38/59/24/1022385924.db2.gz BKHIUCAHQCXQJU-UHFFFAOYSA-N 0 3 390.483 3.816 20 10 GHCDHN Cc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)c([O-])c1 ZINC001140948180 1022964330 /nfs/dbraw/zinc/96/43/30/1022964330.db2.gz WWZWLBSSJFXNSQ-UHFFFAOYSA-N 0 3 391.519 3.723 20 10 GHCDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001140950503 1022973383 /nfs/dbraw/zinc/97/33/83/1022973383.db2.gz WEPKQEMQGIPXDY-QHCPKHFHSA-N 0 3 382.479 3.854 20 10 GHCDHN Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001140950503 1022973391 /nfs/dbraw/zinc/97/33/91/1022973391.db2.gz WEPKQEMQGIPXDY-QHCPKHFHSA-N 0 3 382.479 3.854 20 10 GHCDHN COc1cc([O-])c(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c(OC)c1 ZINC001141034716 1023326309 /nfs/dbraw/zinc/32/63/09/1023326309.db2.gz NWJNLKPMPRHLKH-UHFFFAOYSA-N 0 3 397.500 3.529 20 10 GHCDHN COc1cc([O-])c(C[N@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c(OC)c1 ZINC001141034716 1023326314 /nfs/dbraw/zinc/32/63/14/1023326314.db2.gz NWJNLKPMPRHLKH-UHFFFAOYSA-N 0 3 397.500 3.529 20 10 GHCDHN O=C1Nc2ccccc2C12CCN(Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141075387 1023436247 /nfs/dbraw/zinc/43/62/47/1023436247.db2.gz ORJXDGGGRJOMJI-UHFFFAOYSA-N 0 3 387.527 3.871 20 10 GHCDHN C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2c1c(F)ccc2[O-] ZINC000756389356 1023624755 /nfs/dbraw/zinc/62/47/55/1023624755.db2.gz CBSJIBLQYPRTRM-KXBFYZLASA-N 0 3 397.494 3.772 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)c([O-])c1 ZINC000756523181 1023696486 /nfs/dbraw/zinc/69/64/86/1023696486.db2.gz BOFRIDLNWZPNOB-AWEZNQCLSA-N 0 3 391.309 3.934 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756531978 1023700819 /nfs/dbraw/zinc/70/08/19/1023700819.db2.gz BWZQYIZBHUHSCD-NSISKUIASA-N 0 3 383.511 3.658 20 10 GHCDHN COc1cc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc(OC)c1 ZINC000756638881 1023748407 /nfs/dbraw/zinc/74/84/07/1023748407.db2.gz WUHRELGASNRUKV-FRIZHTMISA-N 0 3 389.467 3.538 20 10 GHCDHN O=C1c2ccccc2CN1[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222314 1024398208 /nfs/dbraw/zinc/39/82/08/1024398208.db2.gz RJQHLQYTVDTVMM-QFIPXVFZSA-N 0 3 375.516 3.907 20 10 GHCDHN Cc1c(CN2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c2ccccc2n1C ZINC001138254206 1024475646 /nfs/dbraw/zinc/47/56/46/1024475646.db2.gz SRUKCUHQGAXZKC-GOSISDBHSA-N 0 3 376.504 3.815 20 10 GHCDHN COc1ccc(N2CCN(Cc3c(C)n(C)c4ccccc43)CC2)c(OC)c1 ZINC001138259944 1024490154 /nfs/dbraw/zinc/49/01/54/1024490154.db2.gz SCMBMFZXMKEKKH-UHFFFAOYSA-N 0 3 379.504 3.826 20 10 GHCDHN Oc1c(CN2CCN(Cc3cccc(F)c3)CC2)cc2c3c1CCCN3CCC2 ZINC001138337042 1024699132 /nfs/dbraw/zinc/69/91/32/1024699132.db2.gz JNSDRMRWRHWADS-UHFFFAOYSA-N 0 3 395.522 3.548 20 10 GHCDHN CN1CCCc2cc(CN3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)ccc21 ZINC001138354228 1024716293 /nfs/dbraw/zinc/71/62/93/1024716293.db2.gz BPEXAOYILORJIS-UHFFFAOYSA-N 0 3 385.552 3.902 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)c4ccncc34)c2)CC1 ZINC000832345745 1025464658 /nfs/dbraw/zinc/46/46/58/1025464658.db2.gz NBYIIALBOQYJJS-UHFFFAOYSA-N 0 3 378.451 3.768 20 10 GHCDHN CN1CCN(c2ccc(CN3CCSC[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001139412353 1026286055 /nfs/dbraw/zinc/28/60/55/1026286055.db2.gz ICBZZSGIPWDLET-JOCHJYFZSA-N 0 3 385.552 3.868 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)c([O-])c1 ZINC001203623601 1027486358 /nfs/dbraw/zinc/48/63/58/1027486358.db2.gz UVYBGEUDVYURRQ-NRFANRHFSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)c([O-])c1 ZINC001203623601 1027486364 /nfs/dbraw/zinc/48/63/64/1027486364.db2.gz UVYBGEUDVYURRQ-NRFANRHFSA-N 0 3 386.517 3.591 20 10 GHCDHN CCCOc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc1C ZINC001203848009 1027653928 /nfs/dbraw/zinc/65/39/28/1027653928.db2.gz MTXKIWNCAJYDRC-IEBWSBKVSA-N 0 3 378.513 3.508 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]12CCCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203875197 1027675097 /nfs/dbraw/zinc/67/50/97/1027675097.db2.gz JXCDKVCXUYIXRS-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)Cc2ccccc2CN(C)C3=O)cc1 ZINC001203933065 1027726652 /nfs/dbraw/zinc/72/66/52/1027726652.db2.gz GVAVZCRABLCPLZ-UHFFFAOYSA-N 0 3 377.532 3.550 20 10 GHCDHN CCOC(=O)c1nc2c(s1)CCN(Cc1ccc(N(CC)CC)cc1)CC2 ZINC001203940003 1027733874 /nfs/dbraw/zinc/73/38/74/1027733874.db2.gz HPAKBQPRCGCLQU-UHFFFAOYSA-N 0 3 387.549 3.767 20 10 GHCDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000840888874 1027925726 /nfs/dbraw/zinc/92/57/26/1027925726.db2.gz INWYYUIVURDXJX-FQQSSWHASA-N 0 3 392.547 3.983 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000840959864 1027990896 /nfs/dbraw/zinc/99/08/96/1027990896.db2.gz WRXJZSXXCVPUET-SFHVURJKSA-N 0 3 380.282 3.719 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000840959864 1027990898 /nfs/dbraw/zinc/99/08/98/1027990898.db2.gz WRXJZSXXCVPUET-SFHVURJKSA-N 0 3 380.282 3.719 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1[O-] ZINC000840960703 1027992162 /nfs/dbraw/zinc/99/21/62/1027992162.db2.gz LVWXHXZCRVXMOS-MRXNPFEDSA-N 0 3 393.281 3.673 20 10 GHCDHN C[C@@](O)(CNCc1ccc(N2CCCCC2)c(Br)c1)C(F)(F)F ZINC001461364142 1069520349 /nfs/dbraw/zinc/52/03/49/1069520349.db2.gz OLJWBATWONQSIY-OAHLLOKOSA-N 0 3 395.263 3.842 20 10 GHCDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841301344 1028395830 /nfs/dbraw/zinc/39/58/30/1028395830.db2.gz LUBMJZBFGYZEER-UHFFFAOYSA-N 0 3 380.414 3.883 20 10 GHCDHN CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512847 1029016513 /nfs/dbraw/zinc/01/65/13/1029016513.db2.gz NINWLJMUXBSVTA-MRXNPFEDSA-N 0 3 392.446 3.519 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000841997627 1029025898 /nfs/dbraw/zinc/02/58/98/1029025898.db2.gz OGILJPFDMLWVSJ-QFIPXVFZSA-N 0 3 380.536 3.560 20 10 GHCDHN COc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1Cn1cccn1 ZINC001461656780 1069662580 /nfs/dbraw/zinc/66/25/80/1069662580.db2.gz XDUPTUJQVXZTPK-XZOQPEGZSA-N 0 3 379.504 3.788 20 10 GHCDHN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1C(=O)c1c([O-])cccc1C3=O)C2 ZINC001226379628 1031939128 /nfs/dbraw/zinc/93/91/28/1031939128.db2.gz GFPQODKCQMTEFX-ZSHCYNCHSA-N 0 3 391.467 3.950 20 10 GHCDHN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1C(=O)c1c([O-])cccc1C3=O)C2 ZINC001226379628 1031939133 /nfs/dbraw/zinc/93/91/33/1031939133.db2.gz GFPQODKCQMTEFX-ZSHCYNCHSA-N 0 3 391.467 3.950 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1[O-] ZINC001277439054 1033850993 /nfs/dbraw/zinc/85/09/93/1033850993.db2.gz GSIIPTYXIQISFU-UHFFFAOYSA-N 0 3 386.870 3.824 20 10 GHCDHN Cc1cc(Br)cc(CNCc2ccnc(-c3ccccn3)n2)c1O ZINC001207333614 1034282332 /nfs/dbraw/zinc/28/23/32/1034282332.db2.gz HAMNNUQAIFWWRK-UHFFFAOYSA-N 0 3 385.265 3.605 20 10 GHCDHN COCC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCN(C)CC1 ZINC001231468161 1034612278 /nfs/dbraw/zinc/61/22/78/1034612278.db2.gz DFOKYBIZACYMFF-UHFFFAOYSA-N 0 3 384.520 3.514 20 10 GHCDHN COCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCN(C)CC1 ZINC001231468161 1034612282 /nfs/dbraw/zinc/61/22/82/1034612282.db2.gz DFOKYBIZACYMFF-UHFFFAOYSA-N 0 3 384.520 3.514 20 10 GHCDHN CCN1CC2(CC1=O)CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231468629 1034614402 /nfs/dbraw/zinc/61/44/02/1034614402.db2.gz DIMPTXXUUTXFLV-UHFFFAOYSA-N 0 3 394.515 3.806 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001231469680 1034615741 /nfs/dbraw/zinc/61/57/41/1034615741.db2.gz KQXXBZWVNRQSGB-UHFFFAOYSA-N 0 3 388.458 3.887 20 10 GHCDHN COc1ccc(Br)c(CN2CC[NH+](C3CCCCC3)CC2)c1[O-] ZINC001231548713 1034702334 /nfs/dbraw/zinc/70/23/34/1034702334.db2.gz YKQWDPSPPCGXTB-UHFFFAOYSA-N 0 3 383.330 3.614 20 10 GHCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231587169 1034738702 /nfs/dbraw/zinc/73/87/02/1034738702.db2.gz LBGJENBPJNMTSY-NTKDMRAZSA-N 0 3 396.531 3.831 20 10 GHCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC001231587169 1034738716 /nfs/dbraw/zinc/73/87/16/1034738716.db2.gz LBGJENBPJNMTSY-NTKDMRAZSA-N 0 3 396.531 3.831 20 10 GHCDHN Cn1cc(CN2CCCC23CC[NH+](Cc2c([O-])ccc4ccccc42)CC3)cn1 ZINC001231586757 1034738883 /nfs/dbraw/zinc/73/88/83/1034738883.db2.gz GCQHBBDGWVXWAF-UHFFFAOYSA-N 0 3 390.531 3.910 20 10 GHCDHN Cc1nc(COC[C@H]2Cn3nccc3CN(Cc3cccc(C)c3O)C2)cs1 ZINC001231593374 1034746929 /nfs/dbraw/zinc/74/69/29/1034746929.db2.gz VCRXXIGGTYJCSM-QGZVFWFLSA-N 0 3 398.532 3.511 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCCN(C(=O)OC(C)(C)C)CCC1 ZINC001231854589 1034944545 /nfs/dbraw/zinc/94/45/45/1034944545.db2.gz FVYHTIAKBNHDND-UHFFFAOYSA-N 0 3 377.529 3.594 20 10 GHCDHN COc1ccc(N2CCN(c3ccc(NC4=CCN(C)CC4)cc3)CC2)cc1 ZINC001208910709 1035086479 /nfs/dbraw/zinc/08/64/79/1035086479.db2.gz UOHCNCGZJKWJOR-UHFFFAOYSA-N 0 3 378.520 3.653 20 10 GHCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(Cl)c2)cc1OC ZINC001232203406 1035159969 /nfs/dbraw/zinc/15/99/69/1035159969.db2.gz UWWKTGGXHHQGFL-UHFFFAOYSA-N 0 3 390.911 3.826 20 10 GHCDHN COc1cc(I)cc(CN2CCC3(CCCC3)C2)c1O ZINC001248401121 1035807400 /nfs/dbraw/zinc/80/74/00/1035807400.db2.gz NJBZJIKFXSNZMU-UHFFFAOYSA-N 0 3 387.261 3.772 20 10 GHCDHN CC(C)CNC(=O)C1(NCc2ccc(N(C)C)cc2C(F)(F)F)CCCC1 ZINC001462128720 1070020238 /nfs/dbraw/zinc/02/02/38/1070020238.db2.gz MDVQETWTSPLACJ-UHFFFAOYSA-N 0 3 385.474 3.946 20 10 GHCDHN CN(Cc1cccs1)c1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1 ZINC001462188870 1070067196 /nfs/dbraw/zinc/06/71/96/1070067196.db2.gz GWCLOYBDQUVSSQ-UHFFFAOYSA-N 0 3 383.521 3.519 20 10 GHCDHN COC(=O)c1c(CN[C@@H](C)c2cc(OC)ccc2O)c2cc(F)ccc2n1C ZINC001462211102 1070087013 /nfs/dbraw/zinc/08/70/13/1070087013.db2.gz UMMPLMMPYUPNIF-LBPRGKRZSA-N 0 3 386.423 3.669 20 10 GHCDHN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cnc(C)cc4C)C3)C2)cc1 ZINC001233006672 1038766493 /nfs/dbraw/zinc/76/64/93/1038766493.db2.gz UATBNBSWWXBWGW-DEOSSOPVSA-N 0 3 395.547 3.826 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1[O-] ZINC001233105864 1038891584 /nfs/dbraw/zinc/89/15/84/1038891584.db2.gz BMDNRTWPJRSNSP-XHDPSFHLSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1[O-] ZINC001233105864 1038891602 /nfs/dbraw/zinc/89/16/02/1038891602.db2.gz BMDNRTWPJRSNSP-XHDPSFHLSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001233105864 1038891614 /nfs/dbraw/zinc/89/16/14/1038891614.db2.gz BMDNRTWPJRSNSP-XHDPSFHLSA-N 0 3 396.247 3.988 20 10 GHCDHN CCC(=O)N(CC)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233111713 1038902393 /nfs/dbraw/zinc/90/23/93/1038902393.db2.gz UUWNFHRSKVXLMJ-UHFFFAOYSA-N 0 3 383.330 3.686 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CCc3ccccc3NC2=O)c(C(F)(F)F)c1 ZINC001462384155 1070216045 /nfs/dbraw/zinc/21/60/45/1070216045.db2.gz CICVGRQWVJJIJV-GOSISDBHSA-N 0 3 377.410 3.815 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1C ZINC001233775864 1039606117 /nfs/dbraw/zinc/60/61/17/1039606117.db2.gz FHEIIBLGHWPRNL-OLZOCXBDSA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1C ZINC001233775864 1039606127 /nfs/dbraw/zinc/60/61/27/1039606127.db2.gz FHEIIBLGHWPRNL-OLZOCXBDSA-N 0 3 375.387 3.702 20 10 GHCDHN CN(C)c1ccc(CN[C@H]2CCc3ccccc3NC2=O)c(C(F)(F)F)c1 ZINC001462384162 1070216599 /nfs/dbraw/zinc/21/65/99/1070216599.db2.gz CICVGRQWVJJIJV-SFHVURJKSA-N 0 3 377.410 3.815 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1c1ccccc1 ZINC001234569301 1040137466 /nfs/dbraw/zinc/13/74/66/1040137466.db2.gz KVIROBOOUGAGGS-UNMCSNQZSA-N 0 3 391.467 3.943 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1c1ccccc1 ZINC001234569301 1040137470 /nfs/dbraw/zinc/13/74/70/1040137470.db2.gz KVIROBOOUGAGGS-UNMCSNQZSA-N 0 3 391.467 3.943 20 10 GHCDHN CCOC(=O)C[C@H](Oc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1 ZINC001234657826 1040193941 /nfs/dbraw/zinc/19/39/41/1040193941.db2.gz JFNZUUQTJYNBIP-QFIPXVFZSA-N 0 3 382.504 3.902 20 10 GHCDHN COc1cccc(N2CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)n1 ZINC001234996386 1040489847 /nfs/dbraw/zinc/48/98/47/1040489847.db2.gz BWDNJRWMTKJAJM-UHFFFAOYSA-N 0 3 375.472 3.785 20 10 GHCDHN O=C1C[C@H]2C[C@H](N3CCN(c4ccc(OCc5cccnc5)cc4)CC3)C[C@H]2C1 ZINC001254962499 1040692386 /nfs/dbraw/zinc/69/23/86/1040692386.db2.gz DWLBSUVHOLFIEM-XVAYZXCPSA-N 0 3 391.515 3.540 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001235682218 1041152626 /nfs/dbraw/zinc/15/26/26/1041152626.db2.gz PMMDCNAZTYIUNY-TUNNFDKTSA-N 0 3 382.504 3.501 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001235682218 1041152633 /nfs/dbraw/zinc/15/26/33/1041152633.db2.gz PMMDCNAZTYIUNY-TUNNFDKTSA-N 0 3 382.504 3.501 20 10 GHCDHN CN(Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216426 1041626322 /nfs/dbraw/zinc/62/63/22/1041626322.db2.gz KRBNKPKICQVUJY-QWHCGFSZSA-N 0 3 381.236 3.875 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2Cc3ccccc3C(C)(C)C2)N(C)C)cc1 ZINC001256236286 1041670683 /nfs/dbraw/zinc/67/06/83/1041670683.db2.gz FGKKDJAWWJNOGZ-JOCHJYFZSA-N 0 3 394.563 3.858 20 10 GHCDHN COc1cc(C)ccc1OC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236757117 1041873925 /nfs/dbraw/zinc/87/39/25/1041873925.db2.gz FYOIUUWRXQWBFK-UHFFFAOYSA-N 0 3 387.476 3.770 20 10 GHCDHN COC(=O)c1ccc([C@@H]2CCCCN2Cc2cc(OC)c(OC)cc2O)cc1 ZINC001236757298 1041875228 /nfs/dbraw/zinc/87/52/28/1041875228.db2.gz PEBOJIIKUNURON-SFHVURJKSA-N 0 3 385.460 3.923 20 10 GHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236761989 1041877968 /nfs/dbraw/zinc/87/79/68/1041877968.db2.gz MBDQZTUHRCGEAY-UHFFFAOYSA-N 0 3 379.298 3.948 20 10 GHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236761989 1041877971 /nfs/dbraw/zinc/87/79/71/1041877971.db2.gz MBDQZTUHRCGEAY-UHFFFAOYSA-N 0 3 379.298 3.948 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)c([O-])c1 ZINC001236786471 1041891731 /nfs/dbraw/zinc/89/17/31/1041891731.db2.gz DPQRBAURKDRIEI-OAQYLSRUSA-N 0 3 378.516 3.935 20 10 GHCDHN CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)c([O-])c1 ZINC001236787068 1041892774 /nfs/dbraw/zinc/89/27/74/1041892774.db2.gz IYLWIHURUMFFHR-NRFANRHFSA-N 0 3 378.516 3.793 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c([O-])c1 ZINC001236788030 1041894489 /nfs/dbraw/zinc/89/44/89/1041894489.db2.gz PUJZAOMVPZQZGG-JTHBVZDNSA-N 0 3 382.504 3.690 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c([O-])c1 ZINC001236788030 1041894493 /nfs/dbraw/zinc/89/44/93/1041894493.db2.gz PUJZAOMVPZQZGG-JTHBVZDNSA-N 0 3 382.504 3.690 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236810766 1041910464 /nfs/dbraw/zinc/91/04/64/1041910464.db2.gz JPOZHOQPEOELHZ-DEOSSOPVSA-N 0 3 394.515 3.642 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c([O-])c1 ZINC001236810766 1041910467 /nfs/dbraw/zinc/91/04/67/1041910467.db2.gz JPOZHOQPEOELHZ-DEOSSOPVSA-N 0 3 394.515 3.642 20 10 GHCDHN O=C1[C@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001236829673 1041920419 /nfs/dbraw/zinc/92/04/19/1041920419.db2.gz JKVWMVQCCOBGFJ-IRLDBZIGSA-N 0 3 390.458 3.775 20 10 GHCDHN O=C1[C@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001236829673 1041920421 /nfs/dbraw/zinc/92/04/21/1041920421.db2.gz JKVWMVQCCOBGFJ-IRLDBZIGSA-N 0 3 390.458 3.775 20 10 GHCDHN CN(Cc1ccncc1)Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 ZINC001236847540 1041927101 /nfs/dbraw/zinc/92/71/01/1041927101.db2.gz PJLWFGVMGPZKPQ-UHFFFAOYSA-N 0 3 399.491 3.549 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c([O-])c1 ZINC001237042757 1042002747 /nfs/dbraw/zinc/00/27/47/1042002747.db2.gz LBVXJZSSHAFSMQ-JTHBVZDNSA-N 0 3 398.503 3.526 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c([O-])c1 ZINC001237042757 1042002756 /nfs/dbraw/zinc/00/27/56/1042002756.db2.gz LBVXJZSSHAFSMQ-JTHBVZDNSA-N 0 3 398.503 3.526 20 10 GHCDHN Cc1nc(CN2C[C@]3(CC[N@@H+](Cc4ccc(C(C)C)cc4[O-])C3)CC2=O)cs1 ZINC001237049540 1042009131 /nfs/dbraw/zinc/00/91/31/1042009131.db2.gz WKTBKHWVQJGUKU-JOCHJYFZSA-N 0 3 399.560 3.905 20 10 GHCDHN Cc1nc(CN2C[C@]3(CC[N@H+](Cc4ccc(C(C)C)cc4[O-])C3)CC2=O)cs1 ZINC001237049540 1042009138 /nfs/dbraw/zinc/00/91/38/1042009138.db2.gz WKTBKHWVQJGUKU-JOCHJYFZSA-N 0 3 399.560 3.905 20 10 GHCDHN COc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055675 1042012619 /nfs/dbraw/zinc/01/26/19/1042012619.db2.gz IIUXOMSAIIJAPM-INIZCTEOSA-N 0 3 397.393 3.995 20 10 GHCDHN COc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055675 1042012623 /nfs/dbraw/zinc/01/26/23/1042012623.db2.gz IIUXOMSAIIJAPM-INIZCTEOSA-N 0 3 397.393 3.995 20 10 GHCDHN O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2C1 ZINC001237135925 1042057619 /nfs/dbraw/zinc/05/76/19/1042057619.db2.gz ABEMELBJIUOWOU-GJZGRUSLSA-N 0 3 396.434 3.677 20 10 GHCDHN CC(C)N(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](C)c1ccccc1 ZINC001237215274 1042093419 /nfs/dbraw/zinc/09/34/19/1042093419.db2.gz LVEFHDUQQHIYIK-IBGZPJMESA-N 0 3 386.561 3.893 20 10 GHCDHN Nc1ccc(CN[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC001262488103 1046262187 /nfs/dbraw/zinc/26/21/87/1046262187.db2.gz QOSPNHQBOMOPEU-GOSISDBHSA-N 0 3 377.410 3.568 20 10 GHCDHN COc1cc([O-])c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1Br ZINC001279705952 1047924838 /nfs/dbraw/zinc/92/48/38/1047924838.db2.gz FQEQPEIATYQESP-UHFFFAOYSA-N 0 3 395.341 3.614 20 10 GHCDHN COc1cc([O-])c(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1Br ZINC001279705952 1047924846 /nfs/dbraw/zinc/92/48/46/1047924846.db2.gz FQEQPEIATYQESP-UHFFFAOYSA-N 0 3 395.341 3.614 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CSc2ccc(Cl)cc2)N(C)C)cc1 ZINC001463277963 1070958076 /nfs/dbraw/zinc/95/80/76/1070958076.db2.gz DMVDATINABYJLC-IBGZPJMESA-N 0 3 391.968 3.917 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C2(c3cccc(F)c3)CCC2)N(C)C)cc1 ZINC001463278522 1070958257 /nfs/dbraw/zinc/95/82/57/1070958257.db2.gz FKHDMPYCHNQHTM-NRFANRHFSA-N 0 3 383.511 3.733 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CSc2ccc(Cl)cc2)N(C)C)cc1 ZINC001463277967 1070958303 /nfs/dbraw/zinc/95/83/03/1070958303.db2.gz DMVDATINABYJLC-LJQANCHMSA-N 0 3 391.968 3.917 20 10 GHCDHN COc1cc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000850014272 1049457414 /nfs/dbraw/zinc/45/74/14/1049457414.db2.gz IUKCEGYVZHWACW-AWEZNQCLSA-N 0 3 391.533 3.953 20 10 GHCDHN CC(C)COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001289601094 1049557603 /nfs/dbraw/zinc/55/76/03/1049557603.db2.gz ZEKFJZITBAXNBX-JOCHJYFZSA-N 0 3 383.536 3.820 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 ZINC001308289806 1049939580 /nfs/dbraw/zinc/93/95/80/1049939580.db2.gz KWDKWWOXBIVDDC-ZEYPLWLESA-N 0 3 377.532 3.812 20 10 GHCDHN CC[C@@H](c1ccccc1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001308563725 1050010292 /nfs/dbraw/zinc/01/02/92/1050010292.db2.gz ALBFQUBHIMILSN-VWLOTQADSA-N 0 3 393.575 3.917 20 10 GHCDHN CCCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC001308618601 1050035406 /nfs/dbraw/zinc/03/54/06/1050035406.db2.gz IUQCMWSOUQRKIF-LJQANCHMSA-N 0 3 395.547 3.887 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]1(C[NH2+]Cc1cc(F)ccc1[O-])C(F)(F)F ZINC001308946732 1050207381 /nfs/dbraw/zinc/20/73/81/1050207381.db2.gz VNBDHXBYVMHDQX-QGZVFWFLSA-N 0 3 392.393 3.953 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](c2ccccc2)C2CC2)N(C)C)cc1 ZINC001311443885 1052153783 /nfs/dbraw/zinc/15/37/83/1052153783.db2.gz GVDYWYTWLJJQOA-VXKWHMMOSA-N 0 3 380.536 3.806 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC001311628355 1052288973 /nfs/dbraw/zinc/28/89/73/1052288973.db2.gz VZWUWVNYSMZXJH-LJQANCHMSA-N 0 3 382.552 3.853 20 10 GHCDHN O=C(CCc1ccccc1)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001337020617 1052379480 /nfs/dbraw/zinc/37/94/80/1052379480.db2.gz XRXGBOMVNGAFPA-UHFFFAOYSA-N 0 3 391.559 3.954 20 10 GHCDHN Cc1cccc2c1CC[C@@H]2NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001311915972 1052473524 /nfs/dbraw/zinc/47/35/24/1052473524.db2.gz XVZBZZQAFNKKSJ-VXKWHMMOSA-N 0 3 380.536 3.650 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)cc1F ZINC001311936317 1052486341 /nfs/dbraw/zinc/48/63/41/1052486341.db2.gz ZOIRYLMUSFFVAT-UHFFFAOYSA-N 0 3 392.563 3.935 20 10 GHCDHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cc1 ZINC001312356134 1052709553 /nfs/dbraw/zinc/70/95/53/1052709553.db2.gz ZKQUVAQYUUVURL-RTWAWAEBSA-N 0 3 386.515 3.945 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c1[O-] ZINC000848517474 1057144178 /nfs/dbraw/zinc/14/41/78/1057144178.db2.gz DNLOETYZRAABRQ-GFCCVEGCSA-N 0 3 390.281 3.704 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1[O-] ZINC000848529007 1057151341 /nfs/dbraw/zinc/15/13/41/1057151341.db2.gz PWHBZFVXCOINKK-UKRRQHHQSA-N 0 3 394.309 3.980 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000848553693 1057175842 /nfs/dbraw/zinc/17/58/42/1057175842.db2.gz OZPUJMSJIUNBKB-AAEUAGOBSA-N 0 3 398.272 3.729 20 10 GHCDHN COCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](C)c1ccccc1 ZINC001324724947 1057212998 /nfs/dbraw/zinc/21/29/98/1057212998.db2.gz JNRREVVLHRBENO-IBGZPJMESA-N 0 3 385.527 3.787 20 10 GHCDHN CCOc1cc(NC2CCN(Cc3ccc(N4CCCC4)cc3)CC2)ncn1 ZINC001325600212 1057344557 /nfs/dbraw/zinc/34/45/57/1057344557.db2.gz BWZXSTYZFHJOCW-UHFFFAOYSA-N 0 3 381.524 3.552 20 10 GHCDHN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000848922011 1057424540 /nfs/dbraw/zinc/42/45/40/1057424540.db2.gz YXKKIQTWCITEJU-QFIPXVFZSA-N 0 3 394.515 3.708 20 10 GHCDHN O[C@@H]([C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001339154534 1058984700 /nfs/dbraw/zinc/98/47/00/1058984700.db2.gz HWRDOWWCZZSKHB-UXHICEINSA-N 0 3 378.438 3.911 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CC(C)(C)O3)N(C)C)cc1 ZINC001465903175 1065916019 /nfs/dbraw/zinc/91/60/19/1065916019.db2.gz GIYQDAFMYSUPHA-FQEVSTJZSA-N 0 3 396.535 3.891 20 10 GHCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001353665640 1066121975 /nfs/dbraw/zinc/12/19/75/1066121975.db2.gz INYWIAHEWFZKOA-LPHOPBHVSA-N 0 3 390.487 3.786 20 10 GHCDHN CCC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC001477805607 1078574728 /nfs/dbraw/zinc/57/47/28/1078574728.db2.gz RCDYUGJBRDECJM-RTWAWAEBSA-N 0 3 383.540 3.591 20 10 GHCDHN C[C@@H](NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ccccc1O ZINC001477843925 1078590155 /nfs/dbraw/zinc/59/01/55/1078590155.db2.gz IKJWTWBMQHEXIL-QGZVFWFLSA-N 0 3 389.540 3.566 20 10 GHCDHN CCOc1cc(C)ccc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469354200 1068119048 /nfs/dbraw/zinc/11/90/48/1068119048.db2.gz ARUUSZLBRIWDKM-OAQYLSRUSA-N 0 3 398.551 3.562 20 10 GHCDHN CC(C)c1cccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001469839389 1068421614 /nfs/dbraw/zinc/42/16/14/1068421614.db2.gz RCPYGYKTMFASGN-QFIPXVFZSA-N 0 3 382.552 3.978 20 10 GHCDHN CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001473785422 1074141464 /nfs/dbraw/zinc/14/14/64/1074141464.db2.gz CNACFHZQXXTYBR-INIZCTEOSA-N 0 3 380.460 3.565 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC001473963180 1074220061 /nfs/dbraw/zinc/22/00/61/1074220061.db2.gz MMXFNIIEDRMQRD-FQEVSTJZSA-N 0 3 391.515 3.685 20 10 GHCDHN CS(=O)(=O)Cc1ccc(F)cc1CNCc1ccc(N2CCCCC2)cc1 ZINC001474035931 1074243633 /nfs/dbraw/zinc/24/36/33/1074243633.db2.gz QNKDHZZYQRACKL-UHFFFAOYSA-N 0 3 390.524 3.650 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@H](O)C(F)(F)F ZINC001474231973 1074302186 /nfs/dbraw/zinc/30/21/86/1074302186.db2.gz MROWBMJOZKZNGF-ABAIWWIYSA-N 0 3 395.263 3.841 20 10 GHCDHN CC(C)(C)c1cc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c(C(C)(C)C)c1 ZINC001474291063 1074326709 /nfs/dbraw/zinc/32/67/09/1074326709.db2.gz YPHOGPHWNPYILU-KRWDZBQOSA-N 0 3 398.551 3.851 20 10 GHCDHN COc1ccc(N2CCCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC000066410651 837390908 /nfs/dbraw/zinc/39/09/08/837390908.db2.gz CQNPMOJNGQQDRM-UHFFFAOYSA-N 0 3 393.531 3.644 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccccc2OCCN2CCOCC2)cc1 ZINC000162014406 835560754 /nfs/dbraw/zinc/56/07/54/835560754.db2.gz JWESIVBEWHQZFW-HXUWFJFHSA-N 0 3 397.563 3.705 20 10 GHCDHN COc1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c(O)c1OC ZINC000891939961 844137277 /nfs/dbraw/zinc/13/72/77/844137277.db2.gz JVFXEOSFDJJOJT-UHFFFAOYSA-N 0 3 395.459 3.839 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000181179515 837865982 /nfs/dbraw/zinc/86/59/82/837865982.db2.gz IQEGQZASJPDDHG-WIYYLYMNSA-N 0 3 395.551 3.647 20 10 GHCDHN COc1cccc(C[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c1[O-] ZINC000377852927 838056120 /nfs/dbraw/zinc/05/61/20/838056120.db2.gz VGNOJQVUXOGMDH-UHFFFAOYSA-N 0 3 399.535 3.518 20 10 GHCDHN COc1cccc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c1[O-] ZINC000377852927 838056134 /nfs/dbraw/zinc/05/61/34/838056134.db2.gz VGNOJQVUXOGMDH-UHFFFAOYSA-N 0 3 399.535 3.518 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000731280848 861540357 /nfs/dbraw/zinc/54/03/57/861540357.db2.gz FHRZGCQBBWEPPK-NRFANRHFSA-N 0 3 381.520 3.978 20 10 GHCDHN O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCN1Cc1ccccn1 ZINC000273072311 847244494 /nfs/dbraw/zinc/24/44/94/847244494.db2.gz ORDMFIXXQPFGTB-JOCHJYFZSA-N 0 3 387.483 3.735 20 10 GHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000472225743 847267955 /nfs/dbraw/zinc/26/79/55/847267955.db2.gz USPCPRJKOZNDAL-UHFFFAOYSA-N 0 3 396.510 3.899 20 10 GHCDHN C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000273197030 847271404 /nfs/dbraw/zinc/27/14/04/847271404.db2.gz HXINRBXZKDOWEX-AUSIDOKSSA-N 0 3 392.547 3.914 20 10 GHCDHN COc1ccc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c(O)c1OC ZINC000894412876 851224967 /nfs/dbraw/zinc/22/49/67/851224967.db2.gz JFSHUVNUNWVIKM-HNNXBMFYSA-N 0 3 386.275 3.930 20 10 GHCDHN COc1ccc(N2CCC(NCc3cccnc3OCC(F)(F)F)CC2)cc1 ZINC000151116858 853072839 /nfs/dbraw/zinc/07/28/39/853072839.db2.gz YALFLYOTCMMNOJ-UHFFFAOYSA-N 0 3 395.425 3.790 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000729475506 853226008 /nfs/dbraw/zinc/22/60/08/853226008.db2.gz WZFWQCUDKLXQEM-QHCPKHFHSA-N 0 3 383.511 3.981 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)c([O-])c1 ZINC000760030315 854018832 /nfs/dbraw/zinc/01/88/32/854018832.db2.gz BONONCUZXGIOOZ-GJZGRUSLSA-N 0 3 378.310 3.965 20 10 GHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1cc(F)ccc1[O-] ZINC000760042134 855824187 /nfs/dbraw/zinc/82/41/87/855824187.db2.gz SZPUMYMFTPCXJG-GXTWGEPZSA-N 0 3 382.273 3.796 20 10 GHCDHN COc1ccccc1COC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613313 863062831 /nfs/dbraw/zinc/06/28/31/863062831.db2.gz LXXRAPZFABZXEG-OAQYLSRUSA-N 0 3 385.504 3.723 20 10 GHCDHN COc1ccccc1COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613313 863062849 /nfs/dbraw/zinc/06/28/49/863062849.db2.gz LXXRAPZFABZXEG-OAQYLSRUSA-N 0 3 385.504 3.723 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1 ZINC000766152119 858839233 /nfs/dbraw/zinc/83/92/33/858839233.db2.gz NDZVWOQJANAPAA-AOMKIAJQSA-N 0 3 378.520 3.632 20 10 GHCDHN COc1ccc(CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)c(O)c1OC ZINC000895660895 859768553 /nfs/dbraw/zinc/76/85/53/859768553.db2.gz ZSGLAMQNGMUVLM-OAHLLOKOSA-N 0 3 386.275 3.930 20 10 GHCDHN Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCCO2 ZINC000765251555 859867180 /nfs/dbraw/zinc/86/71/80/859867180.db2.gz GMYVABSSJPIVFT-DENIHFKCSA-N 0 3 393.531 3.700 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000765264714 859871649 /nfs/dbraw/zinc/87/16/49/859871649.db2.gz CZLYBAYEEHARMD-QGZVFWFLSA-N 0 3 389.565 3.680 20 10 GHCDHN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765426701 859965971 /nfs/dbraw/zinc/96/59/71/859965971.db2.gz SSYZCHZNWXTREX-QWHCGFSZSA-N 0 3 380.838 3.795 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000103593972 881589189 /nfs/dbraw/zinc/58/91/89/881589189.db2.gz ZZQAOLIPZKPZDI-JXFKEZNVSA-N 0 3 383.492 3.598 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(C(F)(F)F)c1 ZINC000792809791 881702367 /nfs/dbraw/zinc/70/23/67/881702367.db2.gz QPTWTABNOACBRH-OAHLLOKOSA-N 0 3 393.457 3.689 20 10 GHCDHN CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCN3Cc3ccccc3)ccc21 ZINC000734172959 864049649 /nfs/dbraw/zinc/04/96/49/864049649.db2.gz VHQDPHYOVFRVCH-QFIPXVFZSA-N 0 3 392.547 3.533 20 10 GHCDHN COc1cc(N2CCN(Cc3cccc4[nH]ccc43)CC2)cc(OC)c1OC ZINC000184751978 864910790 /nfs/dbraw/zinc/91/07/90/864910790.db2.gz ICHLPENGXMJEGM-UHFFFAOYSA-N 0 3 381.476 3.516 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1O ZINC000897265484 865027335 /nfs/dbraw/zinc/02/73/35/865027335.db2.gz HOWMVJREELFSFQ-QGZVFWFLSA-N 0 3 389.879 3.905 20 10 GHCDHN CNC(=O)CC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000173907327 865226225 /nfs/dbraw/zinc/22/62/25/865226225.db2.gz JEMDOIOQRXYTBD-UHFFFAOYSA-N 0 3 391.309 3.656 20 10 GHCDHN [O-]c1c(CNc2ncnc3sc4c(c32)CC[NH2+]C4)cc(Cl)c2cccnc12 ZINC001168527477 865740233 /nfs/dbraw/zinc/74/02/33/865740233.db2.gz JPFCXNAYTCBAFZ-UHFFFAOYSA-N 0 3 397.891 3.856 20 10 GHCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c(C)n1-c1ccccn1 ZINC000742396330 867262414 /nfs/dbraw/zinc/26/24/14/867262414.db2.gz AXPKMTDVWOWFCT-NRFANRHFSA-N 0 3 376.504 3.830 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1F ZINC000742373700 867268075 /nfs/dbraw/zinc/26/80/75/867268075.db2.gz BQIZXBOWTPMHQO-NRFANRHFSA-N 0 3 396.510 3.600 20 10 GHCDHN O=C1[C@@H](NCc2ccc3c(c2)CCO3)CCCN1c1ccc(OC(F)F)cc1 ZINC000742378161 867270653 /nfs/dbraw/zinc/27/06/53/867270653.db2.gz CVSLETVEXQWQAZ-SFHVURJKSA-N 0 3 388.414 3.508 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c([O-])c1 ZINC000793386033 882159740 /nfs/dbraw/zinc/15/97/40/882159740.db2.gz HITMXPCXGZAZAK-GFCCVEGCSA-N 0 3 382.382 3.927 20 10 GHCDHN COc1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c([O-])c1 ZINC000793389099 882164244 /nfs/dbraw/zinc/16/42/44/882164244.db2.gz VSEYYSICPGVLOO-UHFFFAOYSA-N 0 3 378.875 3.948 20 10 GHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000743870137 868466618 /nfs/dbraw/zinc/46/66/18/868466618.db2.gz IPWIKXYBBQXMIF-IAGOWNOFSA-N 0 3 398.503 3.641 20 10 GHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000743870137 868466623 /nfs/dbraw/zinc/46/66/23/868466623.db2.gz IPWIKXYBBQXMIF-IAGOWNOFSA-N 0 3 398.503 3.641 20 10 GHCDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000793518925 882237640 /nfs/dbraw/zinc/23/76/40/882237640.db2.gz ODJQTDUDIXZKNZ-OAQYLSRUSA-N 0 3 392.503 3.530 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H](c1cccs1)N1CCCC1 ZINC000745297107 869440145 /nfs/dbraw/zinc/44/01/45/869440145.db2.gz JZQBQIQYMSIYBP-LJQANCHMSA-N 0 3 399.560 3.969 20 10 GHCDHN COc1ccc(CN(C)C)cc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000527070302 872598505 /nfs/dbraw/zinc/59/85/05/872598505.db2.gz RZKHUCKHYJLGAF-UHFFFAOYSA-N 0 3 380.492 3.879 20 10 GHCDHN COc1ccc(O)c(CNCc2ccc(OC)cc2OCc2cccnc2)c1 ZINC000767691821 872773159 /nfs/dbraw/zinc/77/31/59/872773159.db2.gz WILVRUQJBNVXJR-UHFFFAOYSA-N 0 3 380.444 3.673 20 10 GHCDHN Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C(C)C)CC3)c2)c(C)c1 ZINC000768017563 873027853 /nfs/dbraw/zinc/02/78/53/873027853.db2.gz PEVGQONJPOUSQR-UHFFFAOYSA-N 0 3 387.549 3.635 20 10 GHCDHN COc1ccc(N2CCC(NC(=O)Nc3cccc(CN(C)C)c3)CC2)cc1 ZINC000102437470 873060704 /nfs/dbraw/zinc/06/07/04/873060704.db2.gz UZIWNMNYENVEKZ-UHFFFAOYSA-N 0 3 382.508 3.547 20 10 GHCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000775715129 873094179 /nfs/dbraw/zinc/09/41/79/873094179.db2.gz CLKTXAQGTKIOEA-FDDCHVKYSA-N 0 3 383.511 3.540 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000183042511 873135801 /nfs/dbraw/zinc/13/58/01/873135801.db2.gz LREQQCUDBRJLJP-OAQYLSRUSA-N 0 3 396.531 3.515 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000183042511 873135812 /nfs/dbraw/zinc/13/58/12/873135812.db2.gz LREQQCUDBRJLJP-OAQYLSRUSA-N 0 3 396.531 3.515 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)[C@@H](O)CO2 ZINC000768452261 873311783 /nfs/dbraw/zinc/31/17/83/873311783.db2.gz QLCGRAQBVYRFME-QFIPXVFZSA-N 0 3 394.446 3.597 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1)[C@@H](O)CO2 ZINC000768452261 873311794 /nfs/dbraw/zinc/31/17/94/873311794.db2.gz QLCGRAQBVYRFME-QFIPXVFZSA-N 0 3 394.446 3.597 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](COc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463051 873328448 /nfs/dbraw/zinc/32/84/48/873328448.db2.gz QNUQZYLEFIZDSH-IFXJQAMLSA-N 0 3 389.879 3.762 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](COc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463051 873328465 /nfs/dbraw/zinc/32/84/65/873328465.db2.gz QNUQZYLEFIZDSH-IFXJQAMLSA-N 0 3 389.879 3.762 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1F ZINC000768798821 873589884 /nfs/dbraw/zinc/58/98/84/873589884.db2.gz OHVHYGGDUIPGRN-HNNXBMFYSA-N 0 3 390.890 3.791 20 10 GHCDHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768892873 873654208 /nfs/dbraw/zinc/65/42/08/873654208.db2.gz NJWTWLAYQUJDFD-SFHVURJKSA-N 0 3 383.492 3.968 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775829105 874286293 /nfs/dbraw/zinc/28/62/93/874286293.db2.gz XIAAROPGUWYLCN-ZDUSSCGKSA-N 0 3 381.398 3.941 20 10 GHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000775835610 874324275 /nfs/dbraw/zinc/32/42/75/874324275.db2.gz GQGDVIXOAKKMPL-STQMWFEESA-N 0 3 390.871 3.992 20 10 GHCDHN COc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1OC1CC1 ZINC000858106986 882853305 /nfs/dbraw/zinc/85/33/05/882853305.db2.gz WNGAADXICJOMCK-UHFFFAOYSA-N 0 3 396.531 3.735 20 10 GHCDHN COC(=O)c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000776175465 875693335 /nfs/dbraw/zinc/69/33/35/875693335.db2.gz MKZXWZYOKDUFJY-IBGZPJMESA-N 0 3 388.895 3.586 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CCCOc4cc(F)ccc43)cc2F)CC1 ZINC001201740834 875837235 /nfs/dbraw/zinc/83/72/35/875837235.db2.gz AVKTVOQLPZYMOI-FQEVSTJZSA-N 0 3 387.474 3.720 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(C)ccc1OC ZINC000772441645 875961233 /nfs/dbraw/zinc/96/12/33/875961233.db2.gz CGMXIVDEQUPXJF-KNQAVFIVSA-N 0 3 395.547 3.946 20 10 GHCDHN Oc1cc2c(cc1CN[C@@H]1CSc3ccc(Br)cc31)OCO2 ZINC000785576031 876137990 /nfs/dbraw/zinc/13/79/90/876137990.db2.gz IOHOXTPGALPWEU-GFCCVEGCSA-N 0 3 380.263 3.820 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)CSc3ncc(Cl)s3)cc2)CC1 ZINC000849999359 876584997 /nfs/dbraw/zinc/58/49/97/876584997.db2.gz ZMZQPOXGURKIEG-UHFFFAOYSA-N 0 3 396.969 3.669 20 10 GHCDHN COCC(=O)Nc1cccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000850021703 876606262 /nfs/dbraw/zinc/60/62/62/876606262.db2.gz MMEMQRSFSBPGLJ-UHFFFAOYSA-N 0 3 386.492 3.573 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cc1 ZINC000850345811 876835999 /nfs/dbraw/zinc/83/59/99/876835999.db2.gz LBWGEFONXKYILX-AWEZNQCLSA-N 0 3 393.390 3.573 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1 ZINC000850368976 876856693 /nfs/dbraw/zinc/85/66/93/876856693.db2.gz QVEWCZJGAAIDQZ-RXVVDRJESA-N 0 3 386.561 3.768 20 10 GHCDHN CCOCCOCC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000787235927 877288480 /nfs/dbraw/zinc/28/84/80/877288480.db2.gz DTZWFWNOSCEGCX-UHFFFAOYSA-N 0 3 382.298 3.793 20 10 GHCDHN CCOCCOCC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000787235927 877288496 /nfs/dbraw/zinc/28/84/96/877288496.db2.gz DTZWFWNOSCEGCX-UHFFFAOYSA-N 0 3 382.298 3.793 20 10 GHCDHN COc1cc(Br)cc(CNCc2cnccc2C(F)(F)F)c1O ZINC000853095741 878812501 /nfs/dbraw/zinc/81/25/01/878812501.db2.gz VWIUVSDGQUHDLE-UHFFFAOYSA-N 0 3 391.187 3.867 20 10 GHCDHN CCOc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)c(O)c1 ZINC000789888883 879316180 /nfs/dbraw/zinc/31/61/80/879316180.db2.gz DDBLGYQMEILBJG-HXUWFJFHSA-N 0 3 397.519 3.569 20 10 GHCDHN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCCCCC4)cc3)C2=O)n(C)n1 ZINC000181191481 880054325 /nfs/dbraw/zinc/05/43/25/880054325.db2.gz GRBBSGDHCRBTMA-WIYYLYMNSA-N 0 3 395.551 3.565 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](CNC(=O)C(C)(C)C)C3)c2c1 ZINC000112695122 880088432 /nfs/dbraw/zinc/08/84/32/880088432.db2.gz JDCBNLIKVXZYLZ-INIZCTEOSA-N 0 3 384.520 3.928 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](CNC(=O)C(C)(C)C)C3)c2c1 ZINC000112695122 880088445 /nfs/dbraw/zinc/08/84/45/880088445.db2.gz JDCBNLIKVXZYLZ-INIZCTEOSA-N 0 3 384.520 3.928 20 10 GHCDHN Cc1cc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000858541810 883184546 /nfs/dbraw/zinc/18/45/46/883184546.db2.gz DNRIBYJDSCYANW-QGZVFWFLSA-N 0 3 397.544 3.901 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1[O-] ZINC000859230046 883681619 /nfs/dbraw/zinc/68/16/19/883681619.db2.gz UEROPPJEBMNQPY-BDJLRTHQSA-N 0 3 375.266 3.759 20 10 GHCDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000806433257 884670602 /nfs/dbraw/zinc/67/06/02/884670602.db2.gz IEDCWXJVESDPMW-FXAWDEMLSA-N 0 3 384.524 3.808 20 10 GHCDHN C[NH+]1CCC(N(Cc2ccco2)Cc2c([O-])cccc2Br)CC1 ZINC000862368032 886329094 /nfs/dbraw/zinc/32/90/94/886329094.db2.gz BMBNHEREAAVGBK-UHFFFAOYSA-N 0 3 379.298 3.844 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000919789909 886373059 /nfs/dbraw/zinc/37/30/59/886373059.db2.gz AFLOFXQAXYQZBJ-UHFFFAOYSA-N 0 3 382.552 3.806 20 10 GHCDHN COc1ccc([C@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)cc1F ZINC000862540325 886450814 /nfs/dbraw/zinc/45/08/14/886450814.db2.gz CJQQKXIZPMQLCK-SFHVURJKSA-N 0 3 388.458 3.800 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540280 886451212 /nfs/dbraw/zinc/45/12/12/886451212.db2.gz CEOSLQCYWJJVJY-ZDUSSCGKSA-N 0 3 378.266 3.858 20 10 GHCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540280 886451226 /nfs/dbraw/zinc/45/12/26/886451226.db2.gz CEOSLQCYWJJVJY-ZDUSSCGKSA-N 0 3 378.266 3.858 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1[O-] ZINC000808716769 886700616 /nfs/dbraw/zinc/70/06/16/886700616.db2.gz VKZPETLNTLAPMU-FZKQIMNGSA-N 0 3 376.859 3.945 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1[O-] ZINC000808695415 886713178 /nfs/dbraw/zinc/71/31/78/886713178.db2.gz KTLSOSBKOKUHQI-DLBZAZTESA-N 0 3 388.943 3.610 20 10 GHCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCCC1 ZINC000915765400 887417846 /nfs/dbraw/zinc/41/78/46/887417846.db2.gz NMMGAPSYSZIVBS-MRXNPFEDSA-N 0 3 379.464 3.641 20 10 GHCDHN COc1ccc(O)c(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000809686889 887706279 /nfs/dbraw/zinc/70/62/79/887706279.db2.gz OREJJTFXZBAAGI-FQEVSTJZSA-N 0 3 382.504 3.504 20 10 GHCDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809713238 887734362 /nfs/dbraw/zinc/73/43/62/887734362.db2.gz DZPOHCBLPRYYHC-HXUWFJFHSA-N 0 3 382.504 3.852 20 10 GHCDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809713238 887734370 /nfs/dbraw/zinc/73/43/70/887734370.db2.gz DZPOHCBLPRYYHC-HXUWFJFHSA-N 0 3 382.504 3.852 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(Nc3cccc(C(=O)OC)c3)CC2)c([O-])c1 ZINC000809754812 887796980 /nfs/dbraw/zinc/79/69/80/887796980.db2.gz HGGLRNGMVLRGCX-UHFFFAOYSA-N 0 3 384.476 3.654 20 10 GHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794802803 888097367 /nfs/dbraw/zinc/09/73/67/888097367.db2.gz OUPOGCBVVXATAX-SJLPKXTDSA-N 0 3 377.868 3.900 20 10 GHCDHN CC[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794813079 888182287 /nfs/dbraw/zinc/18/22/87/888182287.db2.gz BJLYEYQFIJSBMJ-QFIPXVFZSA-N 0 3 395.547 3.870 20 10 GHCDHN O=C(c1ccc(CNCc2ccc(N3CCSCC3)cc2)cc1)N1CCCC1 ZINC000865418137 888335838 /nfs/dbraw/zinc/33/58/38/888335838.db2.gz WSGANONWJBJDBK-UHFFFAOYSA-N 0 3 395.572 3.766 20 10 GHCDHN C[C@H](NCc1ccnc(-n2cncn2)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866432857 888872879 /nfs/dbraw/zinc/87/28/79/888872879.db2.gz SPYRFGIIACMRDC-INIZCTEOSA-N 0 3 380.471 3.643 20 10 GHCDHN OC1CCN(c2ccc(CN[C@@H]3CCc4c3cc(F)cc4F)cc2F)CC1 ZINC000121137590 888962359 /nfs/dbraw/zinc/96/23/59/888962359.db2.gz YTFKEIPUJYSABP-HXUWFJFHSA-N 0 3 376.422 3.842 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000916607885 889177111 /nfs/dbraw/zinc/17/71/11/889177111.db2.gz ZUMZQJRZKOOXAN-OAQYLSRUSA-N 0 3 380.536 3.559 20 10 GHCDHN CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000122469294 889815397 /nfs/dbraw/zinc/81/53/97/889815397.db2.gz VZUDBIGGRIYGDD-UHFFFAOYSA-N 0 3 398.482 3.567 20 10 GHCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000825752524 892355121 /nfs/dbraw/zinc/35/51/21/892355121.db2.gz BUHAKGFQLJLUPW-UHFFFAOYSA-N 0 3 398.503 3.984 20 10 GHCDHN COc1ccc([C@@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001134686354 893200443 /nfs/dbraw/zinc/20/04/43/893200443.db2.gz IDHNBBTZJHROLX-JTSKRJEESA-N 0 3 383.536 3.674 20 10 GHCDHN CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876954478 893404525 /nfs/dbraw/zinc/40/45/25/893404525.db2.gz ISDSSHYVNZALDI-GOSISDBHSA-N 0 3 395.547 3.922 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([O-])c1 ZINC000815156219 893494782 /nfs/dbraw/zinc/49/47/82/893494782.db2.gz XTKGAVQZYZHCFN-MGPUTAFESA-N 0 3 386.467 3.772 20 10 GHCDHN COc1ccccc1C[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134883202 893508518 /nfs/dbraw/zinc/50/85/18/893508518.db2.gz ZEFZFGFBFGESRO-GCJKJVERSA-N 0 3 397.563 3.749 20 10 GHCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3ccncc3Cl)CC2)cc1 ZINC000817576890 895746962 /nfs/dbraw/zinc/74/69/62/895746962.db2.gz ZQKOWHFNKNWZCN-KRWDZBQOSA-N 0 3 388.943 3.607 20 10 GHCDHN C[C@@H]1CN(c2ccc(CNC[C@H](O)c3c(F)cccc3F)cc2F)C[C@H](C)O1 ZINC000818966036 896271790 /nfs/dbraw/zinc/27/17/90/896271790.db2.gz HLMBIIXCPXICQN-MNVSYLFESA-N 0 3 394.437 3.541 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819896544 897038707 /nfs/dbraw/zinc/03/87/07/897038707.db2.gz HSNVSVKUAYTVHJ-OAHLLOKOSA-N 0 3 387.281 3.737 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819896544 897038714 /nfs/dbraw/zinc/03/87/14/897038714.db2.gz HSNVSVKUAYTVHJ-OAHLLOKOSA-N 0 3 387.281 3.737 20 10 GHCDHN Cc1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1O ZINC000826298374 897242045 /nfs/dbraw/zinc/24/20/45/897242045.db2.gz PREFTWHDGMDVCR-UHFFFAOYSA-N 0 3 377.473 3.899 20 10 GHCDHN C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131399770 897434547 /nfs/dbraw/zinc/43/45/47/897434547.db2.gz HHBFLMUDYLWTKI-QGZVFWFLSA-N 0 3 384.499 3.508 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000883289998 897454946 /nfs/dbraw/zinc/45/49/46/897454946.db2.gz HTNYZUVGSPXYBP-DEOSSOPVSA-N 0 3 390.506 3.852 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(C(F)(F)F)c1 ZINC000824608984 899718983 /nfs/dbraw/zinc/71/89/83/899718983.db2.gz UBJQOWVONDDEML-AWEZNQCLSA-N 0 3 385.474 3.885 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c([O-])c1 ZINC000825305443 900082270 /nfs/dbraw/zinc/08/22/70/900082270.db2.gz JDWILPCLTMEGJP-SFHVURJKSA-N 0 3 380.282 3.719 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)c([O-])c1 ZINC000825305443 900082273 /nfs/dbraw/zinc/08/22/73/900082273.db2.gz JDWILPCLTMEGJP-SFHVURJKSA-N 0 3 380.282 3.719 20 10 GHCDHN CC(C)CCn1cccc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325139 900933039 /nfs/dbraw/zinc/93/30/39/900933039.db2.gz WCYWHJOZPHBELB-UHFFFAOYSA-N 0 3 382.552 3.526 20 10 GHCDHN CC1(C)Cc2occc2[C@H](NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886747000 901250786 /nfs/dbraw/zinc/25/07/86/901250786.db2.gz ILXNMZMGMBBCDY-HXUWFJFHSA-N 0 3 381.520 3.785 20 10 GHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886747021 901250915 /nfs/dbraw/zinc/25/09/15/901250915.db2.gz IYFMQCAAUBGLSX-CQSZACIVSA-N 0 3 386.565 3.566 20 10 GHCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000779013593 902801952 /nfs/dbraw/zinc/80/19/52/902801952.db2.gz SCJPWWMSCNGXQP-GDBMZVCRSA-N 0 3 394.309 3.862 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000779038161 903363413 /nfs/dbraw/zinc/36/34/13/903363413.db2.gz JNARZPOBYIZXDO-FDQGKXFDSA-N 0 3 394.309 3.598 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])[C@]12CCCO2 ZINC000779050470 903543436 /nfs/dbraw/zinc/54/34/36/903543436.db2.gz PUKADLWACQEOGE-BUIXCFAXSA-N 0 3 384.314 3.840 20 10 GHCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000303481192 914867985 /nfs/dbraw/zinc/86/79/85/914867985.db2.gz JDBIXHJJNOVWPY-DEOSSOPVSA-N 0 3 395.547 3.673 20 10 GHCDHN CCCCN(CC(=O)N(C)Cc1ccc(OC)c(F)c1)Cc1ccccc1O ZINC000801598478 921176037 /nfs/dbraw/zinc/17/60/37/921176037.db2.gz ASHUMNJEGUOLGX-UHFFFAOYSA-N 0 3 388.483 3.801 20 10 GHCDHN COc1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)ccc1S(C)(=O)=O ZINC000177974602 906258606 /nfs/dbraw/zinc/25/86/06/906258606.db2.gz FBRUCLUEWKBHQR-INIZCTEOSA-N 0 3 388.533 3.550 20 10 GHCDHN C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)c1ccccc1[O-] ZINC001175418911 907542162 /nfs/dbraw/zinc/54/21/62/907542162.db2.gz PVTPVHNATIXNEY-NSHDSACASA-N 0 3 381.245 3.973 20 10 GHCDHN CC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c(F)c1 ZINC000777442153 908180126 /nfs/dbraw/zinc/18/01/26/908180126.db2.gz XXYRSFPCEZHRPH-UHFFFAOYSA-N 0 3 383.467 3.811 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000192723329 908817492 /nfs/dbraw/zinc/81/74/92/908817492.db2.gz ADORQIWLBHGRTB-NRFANRHFSA-N 0 3 399.466 3.862 20 10 GHCDHN C[N@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001180558438 910237044 /nfs/dbraw/zinc/23/70/44/910237044.db2.gz NSZCGDDRKJJNAO-SFHVURJKSA-N 0 3 375.310 3.861 20 10 GHCDHN C[N@@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001180558438 910237052 /nfs/dbraw/zinc/23/70/52/910237052.db2.gz NSZCGDDRKJJNAO-SFHVURJKSA-N 0 3 375.310 3.861 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001181196336 910605397 /nfs/dbraw/zinc/60/53/97/910605397.db2.gz LYDKTZYWKRYLLF-UHFFFAOYSA-N 0 3 398.503 3.984 20 10 GHCDHN Cc1nc2c(cccc2C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)[nH]1 ZINC000801936855 921648429 /nfs/dbraw/zinc/64/84/29/921648429.db2.gz XQEUJBDTJJYDKX-UHFFFAOYSA-N 0 3 377.492 3.654 20 10 GHCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000284967112 912098032 /nfs/dbraw/zinc/09/80/32/912098032.db2.gz ICTHEWNLVVBITH-LBPRGKRZSA-N 0 3 383.897 3.699 20 10 GHCDHN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000284967112 912098048 /nfs/dbraw/zinc/09/80/48/912098048.db2.gz ICTHEWNLVVBITH-LBPRGKRZSA-N 0 3 383.897 3.699 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000097490407 915610575 /nfs/dbraw/zinc/61/05/75/915610575.db2.gz PWXZZTGOPFNXIP-NRFANRHFSA-N 0 3 388.515 3.884 20 10 GHCDHN COc1cccc(C2(NCc3cc(Cl)cc(OC)c3O)CCOCC2)c1F ZINC000775205379 916243193 /nfs/dbraw/zinc/24/31/93/916243193.db2.gz HBJGPZSYOXFBQJ-UHFFFAOYSA-N 0 3 395.858 3.997 20 10 GHCDHN Cn1ccnc1[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000775204776 916252126 /nfs/dbraw/zinc/25/21/26/916252126.db2.gz GLUYTMFEJHKGRU-GOSISDBHSA-N 0 3 383.496 3.698 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c([O-])c1 ZINC000775318829 916898044 /nfs/dbraw/zinc/89/80/44/916898044.db2.gz KRVRKQNNSQBWDI-MRXNPFEDSA-N 0 3 394.393 3.705 20 10 GHCDHN CCOc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(O)c1 ZINC000775318829 916898056 /nfs/dbraw/zinc/89/80/56/916898056.db2.gz KRVRKQNNSQBWDI-MRXNPFEDSA-N 0 3 394.393 3.705 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000294909392 917047544 /nfs/dbraw/zinc/04/75/44/917047544.db2.gz WJJOXIVJRLQDFM-CTNGQTDRSA-N 0 3 383.488 3.578 20 10 GHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000294909402 917048398 /nfs/dbraw/zinc/04/83/98/917048398.db2.gz WJJOXIVJRLQDFM-TZIWHRDSSA-N 0 3 383.488 3.578 20 10 GHCDHN Cn1cc([C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC23CCOCC3)cn1 ZINC000295138528 917163702 /nfs/dbraw/zinc/16/37/02/917163702.db2.gz ZMDJEXYQQWMGTI-NRFANRHFSA-N 0 3 377.488 3.675 20 10 GHCDHN Cn1cc([C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC23CCOCC3)cn1 ZINC000295138528 917163707 /nfs/dbraw/zinc/16/37/07/917163707.db2.gz ZMDJEXYQQWMGTI-NRFANRHFSA-N 0 3 377.488 3.675 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000800478347 920163066 /nfs/dbraw/zinc/16/30/66/920163066.db2.gz DTXHLHOOLJFZDD-ICSRJNTNSA-N 0 3 378.944 3.949 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000800478349 920163205 /nfs/dbraw/zinc/16/32/05/920163205.db2.gz DTXHLHOOLJFZDD-UYAOXDASSA-N 0 3 378.944 3.949 20 10 GHCDHN CCOc1cccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)c1O ZINC000367048478 921892799 /nfs/dbraw/zinc/89/27/99/921892799.db2.gz VOHDSGYRVJMVSM-FQEVSTJZSA-N 0 3 397.519 3.569 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000802609981 922254302 /nfs/dbraw/zinc/25/43/02/922254302.db2.gz OPPCWFSROCIEKY-UHFFFAOYSA-N 0 3 397.519 3.530 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802660537 922317321 /nfs/dbraw/zinc/31/73/21/922317321.db2.gz OQEOKQSOAYGOHS-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802660537 922317337 /nfs/dbraw/zinc/31/73/37/922317337.db2.gz OQEOKQSOAYGOHS-NRFANRHFSA-N 0 3 376.497 3.624 20 10 GHCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(-n2ccnc2)c1 ZINC000903017588 922713453 /nfs/dbraw/zinc/71/34/53/922713453.db2.gz WCHVBODPMSUYPS-INIZCTEOSA-N 0 3 398.457 3.838 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1[O-] ZINC000903172876 922829838 /nfs/dbraw/zinc/82/98/38/922829838.db2.gz GUWIGALWZZMLQN-CQSZACIVSA-N 0 3 396.940 3.596 20 10 GHCDHN Nc1ccnc(CNCc2ccc(N3CCCCC3)c(Br)c2)c1 ZINC000903953467 923433534 /nfs/dbraw/zinc/43/35/34/923433534.db2.gz GGSUDYHSKPPHFF-UHFFFAOYSA-N 0 3 375.314 3.706 20 10 GHCDHN Cc1cc(CC(=O)N(CCN(C)C)Cc2ccccn2)c(C)n1-c1ccccc1 ZINC000826745251 924163442 /nfs/dbraw/zinc/16/34/42/924163442.db2.gz XCWBEFFVBNNPIZ-UHFFFAOYSA-N 0 3 390.531 3.622 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000827242534 925107778 /nfs/dbraw/zinc/10/77/78/925107778.db2.gz ATAVXVYLFUJFJW-UXHICEINSA-N 0 3 375.415 3.875 20 10 GHCDHN COc1ccc(N2CCN(Cc3ccc(N4CCC(OC)CC4)cc3)CC2)cc1 ZINC000827310335 925256897 /nfs/dbraw/zinc/25/68/97/925256897.db2.gz NYICNXPZGPPWLS-UHFFFAOYSA-N 0 3 395.547 3.633 20 10 GHCDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827957881 926410014 /nfs/dbraw/zinc/41/00/14/926410014.db2.gz OWYMHGNEPZLXON-SFTDATJTSA-N 0 3 387.568 3.523 20 10 GHCDHN CCOc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c([O-])c1 ZINC000725849448 926466362 /nfs/dbraw/zinc/46/63/62/926466362.db2.gz NQGJDQGWGKZNPG-UHFFFAOYSA-N 0 3 394.265 3.614 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000753572727 929426388 /nfs/dbraw/zinc/42/63/88/929426388.db2.gz XAYPPZFCYGFGMW-FQEVSTJZSA-N 0 3 383.488 3.789 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000753591456 929435398 /nfs/dbraw/zinc/43/53/98/929435398.db2.gz QKIDXZXAFCQKMU-IPELMVKDSA-N 0 3 390.524 3.916 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000753591456 929435408 /nfs/dbraw/zinc/43/54/08/929435408.db2.gz QKIDXZXAFCQKMU-IPELMVKDSA-N 0 3 390.524 3.916 20 10 GHCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181304 932554640 /nfs/dbraw/zinc/55/46/40/932554640.db2.gz IHZZGTMVTXRPQP-VHSSKADRSA-N 0 3 386.458 3.830 20 10 GHCDHN C[C@@H]1CCCN(c2ccc(CN[C@@H](Cc3ccccc3)C(N)=O)cc2Cl)C1 ZINC000799981034 933200144 /nfs/dbraw/zinc/20/01/44/933200144.db2.gz TYGOXLAPYPAFOR-UZLBHIALSA-N 0 3 385.939 3.763 20 10 GHCDHN C[C@H](CO)N(Cc1ccccc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001116445590 933563285 /nfs/dbraw/zinc/56/32/85/933563285.db2.gz VQTCCABKQLSOEY-GOSISDBHSA-N 0 3 383.492 3.968 20 10 GHCDHN COc1cc(CN2CCCN(Cc3cc(C)on3)CC2)c(O)c(C(C)(C)C)c1 ZINC001118572208 934199690 /nfs/dbraw/zinc/19/96/90/934199690.db2.gz JRDSEEGVLZVAPQ-UHFFFAOYSA-N 0 3 387.524 3.703 20 10 GHCDHN [O-]c1cccc(F)c1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001137838654 935817584 /nfs/dbraw/zinc/81/75/84/935817584.db2.gz GAJXDHKCVNNQRJ-UHFFFAOYSA-N 0 3 376.229 3.541 20 10 GHCDHN CCCCN1CC[C@]2(CC[N@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191498 1032332840 /nfs/dbraw/zinc/33/28/40/1032332840.db2.gz KTCADFASTZIYGT-IBGZPJMESA-N 0 3 395.341 3.688 20 10 GHCDHN CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191498 1032332849 /nfs/dbraw/zinc/33/28/49/1032332849.db2.gz KTCADFASTZIYGT-IBGZPJMESA-N 0 3 395.341 3.688 20 10 GHCDHN COc1cc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc(O)c1O ZINC001204342501 1032782934 /nfs/dbraw/zinc/78/29/34/1032782934.db2.gz MFMMHMNMOHBXAK-PZJWPPBQSA-N 0 3 383.488 3.719 20 10 GHCDHN COc1cccc(CC[N@H+](C)Cc2cc(Br)cc(OC)c2[O-])c1 ZINC001204339213 1032781352 /nfs/dbraw/zinc/78/13/52/1032781352.db2.gz AAWXQLYQHDLCNF-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN COc1cccc(CC[N@@H+](C)Cc2cc(Br)cc(OC)c2[O-])c1 ZINC001204339213 1032781356 /nfs/dbraw/zinc/78/13/56/1032781356.db2.gz AAWXQLYQHDLCNF-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000779011109 1020206311 /nfs/dbraw/zinc/20/63/11/1020206311.db2.gz DOQWYZQPPQSOFB-UONOGXRCSA-N 0 3 391.309 3.819 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1[O-] ZINC000834897766 1021641962 /nfs/dbraw/zinc/64/19/62/1021641962.db2.gz VGAZBDOOTAYTRI-RVSPLBMKSA-N 0 3 394.313 3.768 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c2c1c(F)ccc2[O-] ZINC000834904869 1021656026 /nfs/dbraw/zinc/65/60/26/1021656026.db2.gz SJQJKPDNLPMGQP-YCPHGPKFSA-N 0 3 394.487 3.695 20 10 GHCDHN COC[C@@H](NCc1cc(Br)cc(C)c1O)c1cccc(OC)c1 ZINC000827012468 1021896695 /nfs/dbraw/zinc/89/66/95/1021896695.db2.gz XMPPNHBBEIPAIH-QGZVFWFLSA-N 0 3 380.282 3.949 20 10 GHCDHN COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])c1cccc(OC)c1 ZINC000827012468 1021896714 /nfs/dbraw/zinc/89/67/14/1021896714.db2.gz XMPPNHBBEIPAIH-QGZVFWFLSA-N 0 3 380.282 3.949 20 10 GHCDHN Cc1ccc(O)c(CN2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC001140621278 1022094732 /nfs/dbraw/zinc/09/47/32/1022094732.db2.gz SZKFJMJRUPTVAH-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN Cc1ccc(C[N@@H+]2CCOCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140947773 1022964241 /nfs/dbraw/zinc/96/42/41/1022964241.db2.gz FLDJZYQAVAHTEQ-UHFFFAOYSA-N 0 3 390.524 3.550 20 10 GHCDHN Cc1ccc(C[N@H+]2CCOCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC001140947773 1022964244 /nfs/dbraw/zinc/96/42/44/1022964244.db2.gz FLDJZYQAVAHTEQ-UHFFFAOYSA-N 0 3 390.524 3.550 20 10 GHCDHN COCCC[N@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140954007 1022988301 /nfs/dbraw/zinc/98/83/01/1022988301.db2.gz IRSROSYQKWZITO-GOSISDBHSA-N 0 3 378.513 3.549 20 10 GHCDHN COCCC[N@@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140954007 1022988306 /nfs/dbraw/zinc/98/83/06/1022988306.db2.gz IRSROSYQKWZITO-GOSISDBHSA-N 0 3 378.513 3.549 20 10 GHCDHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cc4c5c(c3)CCCN5CCC4)O2)n1 ZINC001141076530 1023439195 /nfs/dbraw/zinc/43/91/95/1023439195.db2.gz HOHUVLXTXFEBHC-NJYVYQBISA-N 0 3 394.519 3.571 20 10 GHCDHN Cc1ccc([C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CCC2)o1 ZINC000756443769 1023653990 /nfs/dbraw/zinc/65/39/90/1023653990.db2.gz UZORDBPTQCXQFZ-DENIHFKCSA-N 0 3 381.520 3.921 20 10 GHCDHN C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000756525906 1023698272 /nfs/dbraw/zinc/69/82/72/1023698272.db2.gz QRPZRUJWRCQLNS-LBPRGKRZSA-N 0 3 395.272 3.765 20 10 GHCDHN CCOC(=O)COc1ccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000756734208 1023792336 /nfs/dbraw/zinc/79/23/36/1023792336.db2.gz WGVDSJWESHDPKD-KBXCAEBGSA-N 0 3 387.451 3.854 20 10 GHCDHN COCCOc1cccc(N2CCN(Cc3c(C)n(C)c4ccccc43)CC2)c1 ZINC001138259600 1024488094 /nfs/dbraw/zinc/48/80/94/1024488094.db2.gz KTIGBBSBPGDRLP-UHFFFAOYSA-N 0 3 393.531 3.834 20 10 GHCDHN COC(CN(Cc1ccccc1)Cc1cc2c3c(c1O)CCCN3CCC2)OC ZINC001138338917 1024700971 /nfs/dbraw/zinc/70/09/71/1024700971.db2.gz VPGISHDCJVUVRZ-UHFFFAOYSA-N 0 3 396.531 3.712 20 10 GHCDHN Fc1cc(CNCc2ccc(OC(F)F)cc2)cc(F)c1N1CCOCC1 ZINC000839146706 1025643702 /nfs/dbraw/zinc/64/37/02/1025643702.db2.gz RONKUEDGRUUQID-UHFFFAOYSA-N 0 3 384.373 3.693 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000839187096 1025701760 /nfs/dbraw/zinc/70/17/60/1025701760.db2.gz QJPZBWDDCPYGGP-BZUAXINKSA-N 0 3 376.497 3.526 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1 ZINC000839187900 1025704626 /nfs/dbraw/zinc/70/46/26/1025704626.db2.gz YUVMPSARWMAWBI-OKZBNKHCSA-N 0 3 390.524 3.916 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)Oc2ccccc21 ZINC001140055639 1026835793 /nfs/dbraw/zinc/83/57/93/1026835793.db2.gz NUJVUJMNQDJELT-MRXNPFEDSA-N 0 3 398.478 3.568 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001203621889 1027483580 /nfs/dbraw/zinc/48/35/80/1027483580.db2.gz JJGXBUZPZCVHSD-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001203621889 1027483596 /nfs/dbraw/zinc/48/35/96/1027483596.db2.gz JJGXBUZPZCVHSD-UHFFFAOYSA-N 0 3 376.497 3.624 20 10 GHCDHN COc1ccc(C[N@@H+]2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)c([O-])c1 ZINC001203634782 1027492174 /nfs/dbraw/zinc/49/21/74/1027492174.db2.gz UYWPXFRYYCPZKI-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1ccc(C[N@H+]2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)c([O-])c1 ZINC001203634782 1027492178 /nfs/dbraw/zinc/49/21/78/1027492178.db2.gz UYWPXFRYYCPZKI-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1ccc(CN2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)c(O)c1 ZINC001203634782 1027492187 /nfs/dbraw/zinc/49/21/87/1027492187.db2.gz UYWPXFRYYCPZKI-KRWDZBQOSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1ccc(CN2CCN(c3ccc(Br)cc3C)CC2)c(O)c1 ZINC001203634756 1027492525 /nfs/dbraw/zinc/49/25/25/1027492525.db2.gz UGJXUFQRJNXWFS-UHFFFAOYSA-N 0 3 391.309 3.794 20 10 GHCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(-n2ccnc2)cc1 ZINC000840761099 1027804508 /nfs/dbraw/zinc/80/45/08/1027804508.db2.gz QFQWJPVOLGJNRD-INIZCTEOSA-N 0 3 398.457 3.838 20 10 GHCDHN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001142521112 1029023527 /nfs/dbraw/zinc/02/35/27/1029023527.db2.gz XZMGAQHUMHVIJJ-UHFFFAOYSA-N 0 3 388.458 3.537 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC000401138392 1029085291 /nfs/dbraw/zinc/08/52/91/1029085291.db2.gz XDCQEOPTOVWNPC-GVDBMIGSSA-N 0 3 376.497 3.526 20 10 GHCDHN Cc1ccccc1-n1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000842671063 1029475710 /nfs/dbraw/zinc/47/57/10/1029475710.db2.gz UMYKXPRKLASFLE-UHFFFAOYSA-N 0 3 390.531 3.679 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)c2cccs2)N(C)C)cc1 ZINC001221932685 1029897942 /nfs/dbraw/zinc/89/79/42/1029897942.db2.gz DRAFSQXJITUSEI-GOSISDBHSA-N 0 3 388.581 3.694 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001222643794 1030255041 /nfs/dbraw/zinc/25/50/41/1030255041.db2.gz VFHKQWWYFGBWNG-CQSZACIVSA-N 0 3 393.247 3.661 20 10 GHCDHN C[C@H]1CC[C@](CO)(NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC001461822162 1069772399 /nfs/dbraw/zinc/77/23/99/1069772399.db2.gz UCPNUHRGTIYPIB-GAJHUEQPSA-N 0 3 384.495 3.537 20 10 GHCDHN N[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001206244890 1033773703 /nfs/dbraw/zinc/77/37/03/1033773703.db2.gz OBPLZZKCIJHAHZ-OAHLLOKOSA-N 0 3 389.215 3.773 20 10 GHCDHN N[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001206244890 1033773719 /nfs/dbraw/zinc/77/37/19/1033773719.db2.gz OBPLZZKCIJHAHZ-OAHLLOKOSA-N 0 3 389.215 3.773 20 10 GHCDHN CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC001231467580 1034611679 /nfs/dbraw/zinc/61/16/79/1034611679.db2.gz MFFVJNMUCMVBKR-OAQYLSRUSA-N 0 3 394.515 3.662 20 10 GHCDHN COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466766 1034612242 /nfs/dbraw/zinc/61/22/42/1034612242.db2.gz FCMKMSBXPDVEGB-RPWUZVMVSA-N 0 3 397.515 3.989 20 10 GHCDHN COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1[O-])C2 ZINC001231466766 1034612243 /nfs/dbraw/zinc/61/22/43/1034612243.db2.gz FCMKMSBXPDVEGB-RPWUZVMVSA-N 0 3 397.515 3.989 20 10 GHCDHN CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467200 1034612326 /nfs/dbraw/zinc/61/23/26/1034612326.db2.gz JFVMHDZHZFUUCQ-HSZRJFAPSA-N 0 3 380.488 3.558 20 10 GHCDHN CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467200 1034612330 /nfs/dbraw/zinc/61/23/30/1034612330.db2.gz JFVMHDZHZFUUCQ-HSZRJFAPSA-N 0 3 380.488 3.558 20 10 GHCDHN CCO[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001231468285 1034612425 /nfs/dbraw/zinc/61/24/25/1034612425.db2.gz VVTVJOSUPLMAMJ-MZYLBHOOSA-N 0 3 383.488 3.740 20 10 GHCDHN CCO[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001231468285 1034612432 /nfs/dbraw/zinc/61/24/32/1034612432.db2.gz VVTVJOSUPLMAMJ-MZYLBHOOSA-N 0 3 383.488 3.740 20 10 GHCDHN O=C(C[C@H]1[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]12)NCc1ccco1 ZINC001231588620 1034744512 /nfs/dbraw/zinc/74/45/12/1034744512.db2.gz NLHQIRXUUAJDHF-ACDBMABISA-N 0 3 376.456 3.523 20 10 GHCDHN O=C(C[C@H]1[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]12)NCc1ccco1 ZINC001231588620 1034744525 /nfs/dbraw/zinc/74/45/25/1034744525.db2.gz NLHQIRXUUAJDHF-ACDBMABISA-N 0 3 376.456 3.523 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC001231589314 1034744905 /nfs/dbraw/zinc/74/49/05/1034744905.db2.gz BPAYPDRDIZHVBX-UHFFFAOYSA-N 0 3 376.456 3.639 20 10 GHCDHN COc1cc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c(O)cc1O ZINC001231635684 1034794223 /nfs/dbraw/zinc/79/42/23/1034794223.db2.gz GQHUORPVQKJYTH-UHFFFAOYSA-N 0 3 399.878 3.630 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001231851480 1034942832 /nfs/dbraw/zinc/94/28/32/1034942832.db2.gz ICVFUHWIQKRCKV-VGOFRKELSA-N 0 3 389.540 3.640 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)ccc2ccccc21 ZINC001231880005 1034963909 /nfs/dbraw/zinc/96/39/09/1034963909.db2.gz ABPSFQBVBBPSTQ-VOQZNFBZSA-N 0 3 390.483 3.999 20 10 GHCDHN [O-]c1c(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)ccc2ccccc21 ZINC001231880005 1034963910 /nfs/dbraw/zinc/96/39/10/1034963910.db2.gz ABPSFQBVBBPSTQ-VOQZNFBZSA-N 0 3 390.483 3.999 20 10 GHCDHN COc1ccc(N2CCN(CCCCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001209367983 1035256649 /nfs/dbraw/zinc/25/66/49/1035256649.db2.gz CDUVDUFEGCKMOH-UHFFFAOYSA-N 0 3 377.529 3.512 20 10 GHCDHN O=C1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CN1C1CCCCC1 ZINC001462063475 1069975059 /nfs/dbraw/zinc/97/50/59/1069975059.db2.gz OAYZYDBTSHWVJR-FQEVSTJZSA-N 0 3 394.515 3.994 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001233108006 1038896833 /nfs/dbraw/zinc/89/68/33/1038896833.db2.gz JHGKLVNPJHPTLV-ZWKOTPCHSA-N 0 3 376.294 3.641 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1[O-] ZINC001233108006 1038896851 /nfs/dbraw/zinc/89/68/51/1038896851.db2.gz JHGKLVNPJHPTLV-ZWKOTPCHSA-N 0 3 376.294 3.641 20 10 GHCDHN Cc1cccc(O[C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233111430 1038901943 /nfs/dbraw/zinc/90/19/43/1038901943.db2.gz NHIVFBUDOQZGJE-MRXNPFEDSA-N 0 3 377.282 3.820 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001233196257 1038963766 /nfs/dbraw/zinc/96/37/66/1038963766.db2.gz OCAOYDKNHKVARY-ZBFHGGJFSA-N 0 3 384.220 3.774 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001233196257 1038963771 /nfs/dbraw/zinc/96/37/71/1038963771.db2.gz OCAOYDKNHKVARY-ZBFHGGJFSA-N 0 3 384.220 3.774 20 10 GHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233227259 1038987963 /nfs/dbraw/zinc/98/79/63/1038987963.db2.gz CMMHPWZKDOXIGT-UHFFFAOYSA-N 0 3 382.504 3.650 20 10 GHCDHN COc1cc(Cl)cc(CN2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)c1O ZINC001233287752 1039065772 /nfs/dbraw/zinc/06/57/72/1039065772.db2.gz GKOFEOMTLVIOQJ-OKILXGFUSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC001233287752 1039065791 /nfs/dbraw/zinc/06/57/91/1039065791.db2.gz GKOFEOMTLVIOQJ-OKILXGFUSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC001233287752 1039065808 /nfs/dbraw/zinc/06/58/08/1039065808.db2.gz GKOFEOMTLVIOQJ-OKILXGFUSA-N 0 3 396.915 3.743 20 10 GHCDHN Cc1ccc(CN2CCN(Cc3cccc(OC(F)(F)F)c3O)CC2)cc1 ZINC001233755519 1039592678 /nfs/dbraw/zinc/59/26/78/1039592678.db2.gz VMTJMKXLGUHKIZ-UHFFFAOYSA-N 0 3 380.410 3.917 20 10 GHCDHN O=C1N(CC2CC2)CCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233776462 1039607952 /nfs/dbraw/zinc/60/79/52/1039607952.db2.gz SWEBFNSUWQNJDU-UHFFFAOYSA-N 0 3 398.425 3.515 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4[C@@H](CN4C(=O)OC(C)(C)C)C3)c2c1 ZINC001234526029 1040101744 /nfs/dbraw/zinc/10/17/44/1040101744.db2.gz OUWBCXRJMWNSMS-OXQOHEQNSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4[C@@H](CN4C(=O)OC(C)(C)C)C3)c2c1 ZINC001234526029 1040101751 /nfs/dbraw/zinc/10/17/51/1040101751.db2.gz OUWBCXRJMWNSMS-OXQOHEQNSA-N 0 3 398.503 3.995 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC001462435833 1070251706 /nfs/dbraw/zinc/25/17/06/1070251706.db2.gz IWCIBPTZJDFGQG-GOSISDBHSA-N 0 3 376.447 3.790 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(Oc4ncncc4C)CC3)c2c1 ZINC001234569056 1040136423 /nfs/dbraw/zinc/13/64/23/1040136423.db2.gz JBOOHTYIRXNGLB-UHFFFAOYSA-N 0 3 379.460 3.696 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H](C)c3cc(Br)no3)cc2)CC1 ZINC001234661241 1040195526 /nfs/dbraw/zinc/19/55/26/1040195526.db2.gz SMSAGSSXMDJQAX-CYBMUJFWSA-N 0 3 380.286 3.719 20 10 GHCDHN O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234994648 1040490123 /nfs/dbraw/zinc/49/01/23/1040490123.db2.gz GBHBEZWNJBSKSM-SZPZYZBQSA-N 0 3 399.494 3.658 20 10 GHCDHN O=C(c1cccnc1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234994648 1040490134 /nfs/dbraw/zinc/49/01/34/1040490134.db2.gz GBHBEZWNJBSKSM-SZPZYZBQSA-N 0 3 399.494 3.658 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c([O-])c1 ZINC001235681214 1041148528 /nfs/dbraw/zinc/14/85/28/1041148528.db2.gz GPUIXLFZCXNJTR-YKSBVNFPSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c([O-])c1 ZINC001235681214 1041148531 /nfs/dbraw/zinc/14/85/31/1041148531.db2.gz GPUIXLFZCXNJTR-YKSBVNFPSA-N 0 3 378.516 3.795 20 10 GHCDHN COC(=O)c1cccc(CN(Cc2ccc(Cl)cc2[O-])C2CC[NH2+]CC2)c1 ZINC001236464927 1041727065 /nfs/dbraw/zinc/72/70/65/1041727065.db2.gz NJSCHZZXJBXXML-UHFFFAOYSA-N 0 3 388.895 3.586 20 10 GHCDHN CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236756217 1041875589 /nfs/dbraw/zinc/87/55/89/1041875589.db2.gz LJUKDUVHNRWSFT-UHFFFAOYSA-N 0 3 394.512 3.631 20 10 GHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001236826443 1041918542 /nfs/dbraw/zinc/91/85/42/1041918542.db2.gz JQTLDZVXOYHOSG-LJQANCHMSA-N 0 3 386.492 3.613 20 10 GHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001236826443 1041918544 /nfs/dbraw/zinc/91/85/44/1041918544.db2.gz JQTLDZVXOYHOSG-LJQANCHMSA-N 0 3 386.492 3.613 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c([O-])c1 ZINC001237041011 1042000190 /nfs/dbraw/zinc/00/01/90/1042000190.db2.gz OBVWFXLEZNWUMD-NRFANRHFSA-N 0 3 394.515 3.771 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001237041491 1042001935 /nfs/dbraw/zinc/00/19/35/1042001935.db2.gz MFTHQAQRVFKWHZ-NMNUPHIUSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c([O-])c1 ZINC001237041491 1042001944 /nfs/dbraw/zinc/00/19/44/1042001944.db2.gz MFTHQAQRVFKWHZ-NMNUPHIUSA-N 0 3 395.547 3.918 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001237041814 1042002087 /nfs/dbraw/zinc/00/20/87/1042002087.db2.gz UYDWEHBVYUCECA-QZNHQXDQSA-N 0 3 398.503 3.525 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c([O-])c1 ZINC001237041814 1042002096 /nfs/dbraw/zinc/00/20/96/1042002096.db2.gz UYDWEHBVYUCECA-QZNHQXDQSA-N 0 3 398.503 3.525 20 10 GHCDHN COC(=O)c1ccc(CN2CCN(Cc3ccc(C(C)C)cc3O)CC2)cc1 ZINC001237049198 1042008134 /nfs/dbraw/zinc/00/81/34/1042008134.db2.gz MIMOKIRRZVIHGO-UHFFFAOYSA-N 0 3 382.504 3.620 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049373 1042009074 /nfs/dbraw/zinc/00/90/74/1042009074.db2.gz VWYPKGYXTCMTDH-NFBKMPQASA-N 0 3 396.535 3.566 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c([O-])c1 ZINC001237049373 1042009079 /nfs/dbraw/zinc/00/90/79/1042009079.db2.gz VWYPKGYXTCMTDH-NFBKMPQASA-N 0 3 396.535 3.566 20 10 GHCDHN COc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237055833 1042013189 /nfs/dbraw/zinc/01/31/89/1042013189.db2.gz QTQVRFYMHALFIV-UHFFFAOYSA-N 0 3 382.504 3.919 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001237058386 1042013869 /nfs/dbraw/zinc/01/38/69/1042013869.db2.gz ZBERZVBAHYPRSU-UHFFFAOYSA-N 0 3 399.384 3.956 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001237057252 1042014005 /nfs/dbraw/zinc/01/40/05/1042014005.db2.gz AJPVIJYVLFOBGP-LJQANCHMSA-N 0 3 392.421 3.748 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001237057252 1042014010 /nfs/dbraw/zinc/01/40/10/1042014010.db2.gz AJPVIJYVLFOBGP-LJQANCHMSA-N 0 3 392.421 3.748 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC[C@](C)(F)CC3)cc2Br)CC1 ZINC001237091014 1042031864 /nfs/dbraw/zinc/03/18/64/1042031864.db2.gz VRZDJDDGOVPHEY-IBGZPJMESA-N 0 3 398.364 3.915 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC001462583563 1070388823 /nfs/dbraw/zinc/38/88/23/1070388823.db2.gz YIQUXWVBQHKNOO-RTWAWAEBSA-N 0 3 384.545 3.641 20 10 GHCDHN Cc1ccccc1[C@H]1CCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237208666 1042091687 /nfs/dbraw/zinc/09/16/87/1042091687.db2.gz SMHATCFNLCKICV-JOCHJYFZSA-N 0 3 384.545 3.567 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237646285 1042301820 /nfs/dbraw/zinc/30/18/20/1042301820.db2.gz PTPIULDLTCDHAK-BGYRXZFFSA-N 0 3 390.462 3.557 20 10 GHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237646285 1042301828 /nfs/dbraw/zinc/30/18/28/1042301828.db2.gz PTPIULDLTCDHAK-BGYRXZFFSA-N 0 3 390.462 3.557 20 10 GHCDHN Cc1cccnc1N1CCC[N@@H+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237679116 1042320208 /nfs/dbraw/zinc/32/02/08/1042320208.db2.gz NBCIDBSVBZZHCY-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN Cc1cccnc1N1CCC[N@H+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237679116 1042320215 /nfs/dbraw/zinc/32/02/15/1042320215.db2.gz NBCIDBSVBZZHCY-UHFFFAOYSA-N 0 3 390.325 3.879 20 10 GHCDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001257798469 1044181916 /nfs/dbraw/zinc/18/19/16/1044181916.db2.gz MQCYPMXFPUCWKP-KKSFZXQISA-N 0 3 376.497 3.757 20 10 GHCDHN CSCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1F ZINC001304768523 1047763757 /nfs/dbraw/zinc/76/37/57/1047763757.db2.gz MDSVNYUOGHLQJN-HXUWFJFHSA-N 0 3 389.540 3.787 20 10 GHCDHN CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676654 1047910622 /nfs/dbraw/zinc/91/06/22/1047910622.db2.gz KKWKYJSOTSMDES-LJQANCHMSA-N 0 3 386.367 3.549 20 10 GHCDHN CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676654 1047910626 /nfs/dbraw/zinc/91/06/26/1047910626.db2.gz KKWKYJSOTSMDES-LJQANCHMSA-N 0 3 386.367 3.549 20 10 GHCDHN Cc1c(Cl)cccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463286972 1070964020 /nfs/dbraw/zinc/96/40/20/1070964020.db2.gz VWVAJTISQVWCHO-IBGZPJMESA-N 0 3 389.927 3.512 20 10 GHCDHN O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849760 1048231772 /nfs/dbraw/zinc/23/17/72/1048231772.db2.gz WZYUZAPDLCLUPU-QGZVFWFLSA-N 0 3 382.464 3.853 20 10 GHCDHN Cc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1 ZINC001308354184 1049957051 /nfs/dbraw/zinc/95/70/51/1049957051.db2.gz UAPZFURGTWVBLK-HXUWFJFHSA-N 0 3 384.524 3.812 20 10 GHCDHN COc1cc(C)c(CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c(O)c1 ZINC001308958959 1050218896 /nfs/dbraw/zinc/21/88/96/1050218896.db2.gz NRSPPRUZKADWLN-KRWDZBQOSA-N 0 3 388.895 3.757 20 10 GHCDHN CC[C@@H](C)n1nc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001310473360 1051381442 /nfs/dbraw/zinc/38/14/42/1051381442.db2.gz BGRFZDCCFAXTMB-BEFAXECRSA-N 0 3 386.544 3.653 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cc3ccccc3o2)N(C)C)cc1 ZINC001311518985 1052216744 /nfs/dbraw/zinc/21/67/44/1052216744.db2.gz DZWSMQZQDWHGDI-HXUWFJFHSA-N 0 3 380.492 3.601 20 10 GHCDHN Cc1cc(CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c(C)n1-c1ccccc1 ZINC001313100462 1052957688 /nfs/dbraw/zinc/95/76/88/1052957688.db2.gz LOTRLBRACOTBGA-YADHBBJMSA-N 0 3 380.536 3.515 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(O)(Cc3ccccc3F)CC2)c1O ZINC001344005447 1054179358 /nfs/dbraw/zinc/17/93/58/1054179358.db2.gz ZVFXUHQSVMMEME-UHFFFAOYSA-N 0 3 379.859 3.763 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(-n4ccc(C)n4)c3)c2)CC1 ZINC001324055846 1057062442 /nfs/dbraw/zinc/06/24/42/1057062442.db2.gz FUGXOWRKXYXMKL-UHFFFAOYSA-N 0 3 389.503 3.575 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000848524782 1057149100 /nfs/dbraw/zinc/14/91/00/1057149100.db2.gz WVPSSFWRJJEEJN-MLGOLLRUSA-N 0 3 380.282 3.856 20 10 GHCDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000848526906 1057150272 /nfs/dbraw/zinc/15/02/72/1057150272.db2.gz LYHMQASZYMLXCZ-NRFANRHFSA-N 0 3 381.476 3.581 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000848536267 1057157251 /nfs/dbraw/zinc/15/72/51/1057157251.db2.gz MRIWVZVKEOCHRL-ZMZPIMSZSA-N 0 3 398.272 3.861 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c1[O-] ZINC000848536066 1057157792 /nfs/dbraw/zinc/15/77/92/1057157792.db2.gz NIYMDJIHJFZYBD-DCGLDWPTSA-N 0 3 394.309 3.806 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1[O-] ZINC000848547195 1057167504 /nfs/dbraw/zinc/16/75/04/1057167504.db2.gz LTHLCGRNLQUUGS-DOMZBBRYSA-N 0 3 396.329 3.987 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)c1[O-] ZINC000848547641 1057169897 /nfs/dbraw/zinc/16/98/97/1057169897.db2.gz REOGRUPRYKBWKB-CZUORRHYSA-N 0 3 394.309 3.726 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1[O-] ZINC000848550062 1057171859 /nfs/dbraw/zinc/17/18/59/1057171859.db2.gz BIELWDWARBEDCN-NVGCLXPQSA-N 0 3 380.282 3.936 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C2(c3ccc(F)cc3)CCC2)N(C)C)cc1 ZINC001439960739 1058366732 /nfs/dbraw/zinc/36/67/32/1058366732.db2.gz ODDTVBXALNADJU-NRFANRHFSA-N 0 3 383.511 3.733 20 10 GHCDHN CCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2ccccc21 ZINC001456937302 1062924987 /nfs/dbraw/zinc/92/49/87/1062924987.db2.gz WBCJYABTSZSVMG-QFIPXVFZSA-N 0 3 378.520 3.760 20 10 GHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCN3C3CCCC3)ccc21 ZINC001438225254 1064012656 /nfs/dbraw/zinc/01/26/56/1064012656.db2.gz ITTIFDHLJOXHDJ-FQEVSTJZSA-N 0 3 383.536 3.651 20 10 GHCDHN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)s1 ZINC001350593563 1064133885 /nfs/dbraw/zinc/13/38/85/1064133885.db2.gz KTENFCORRUXQSF-KRWDZBQOSA-N 0 3 385.533 3.910 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)N(C)C)cc1 ZINC001466230204 1066045189 /nfs/dbraw/zinc/04/51/89/1066045189.db2.gz SFSRTXYHXQRCGX-HZPDHXFCSA-N 0 3 388.478 3.632 20 10 GHCDHN Cc1ccc2[nH]ncc2c1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC001466650149 1066233302 /nfs/dbraw/zinc/23/33/02/1066233302.db2.gz KPUAUJBFSDTGQL-UHFFFAOYSA-N 0 3 377.492 3.654 20 10 GHCDHN CN(C)C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc(Cl)cc1 ZINC001467484040 1067320361 /nfs/dbraw/zinc/32/03/61/1067320361.db2.gz XIHGACFIQQGIQR-CQSZACIVSA-N 0 3 390.892 3.999 20 10 GHCDHN CC(C)[C@@H](CC(F)(F)F)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001469829474 1068413819 /nfs/dbraw/zinc/41/38/19/1068413819.db2.gz NVSBWTQLGQVJQP-SJORKVTESA-N 0 3 388.478 3.632 20 10 GHCDHN O=C(N1Cc2cccc(O)c2C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001471355322 1073036366 /nfs/dbraw/zinc/03/63/66/1073036366.db2.gz FZKJVGWWCPQUGU-FQEVSTJZSA-N 0 3 390.405 3.689 20 10 GHCDHN Cc1cc(C(=O)NC[C@H]2CCN2C2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001472069566 1073324280 /nfs/dbraw/zinc/32/42/80/1073324280.db2.gz QLYBVIJLABCJPC-OAQYLSRUSA-N 0 3 395.547 3.694 20 10 GHCDHN Cc1ccc([C@H](CNCc2cc(F)c(N(C)C)cc2F)N2CCOCC2)cc1 ZINC001473949044 1074214974 /nfs/dbraw/zinc/21/49/74/1074214974.db2.gz JZKDVIIDQMEVPP-QFIPXVFZSA-N 0 3 389.490 3.502 20 10 GHCDHN C[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@H](O)C(F)(F)F ZINC001474231975 1074301927 /nfs/dbraw/zinc/30/19/27/1074301927.db2.gz MROWBMJOZKZNGF-NHYWBVRUSA-N 0 3 395.263 3.841 20 10 GHCDHN CCCCNC(=O)C1(NCc2ccc(OC)c(Cn3cccn3)c2)CCCCC1 ZINC001474454996 1074414135 /nfs/dbraw/zinc/41/41/35/1074414135.db2.gz QOVIMXLUZVXOFO-UHFFFAOYSA-N 0 3 398.551 3.649 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc3scnc3c2)N(C)C)cc1 ZINC001476081063 1075081460 /nfs/dbraw/zinc/08/14/60/1075081460.db2.gz NJQIYPYHVZKNKP-SFHVURJKSA-N 0 3 383.521 3.787 20 10 GHCDHN c1cc(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)sc1-c1nnn[n-]1 ZINC000738409506 598887934 /nfs/dbraw/zinc/88/79/34/598887934.db2.gz DGRZGGLZCNUSCF-UHFFFAOYSA-N 0 3 389.484 3.820 20 10 GHCDHN c1cc(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)sc1-c1nn[n-]n1 ZINC000738409506 598887937 /nfs/dbraw/zinc/88/79/37/598887937.db2.gz DGRZGGLZCNUSCF-UHFFFAOYSA-N 0 3 389.484 3.820 20 10 GHCDHN CN(C)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000825879956 608310338 /nfs/dbraw/zinc/31/03/38/608310338.db2.gz TZOBJOORUVFJLZ-UHFFFAOYSA-N 0 3 384.487 3.890 20 10 GHCDHN CCOc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC000153837257 834355645 /nfs/dbraw/zinc/35/56/45/834355645.db2.gz LOEJFOTZPKOQRZ-INIZCTEOSA-N 0 3 388.483 3.920 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccsc2C(F)(F)F)N(C)C)cc1 ZINC000891245941 839304643 /nfs/dbraw/zinc/30/46/43/839304643.db2.gz KMJCFCMGDLHJQT-HNNXBMFYSA-N 0 3 385.455 3.866 20 10 GHCDHN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1[O-] ZINC000155894571 840372576 /nfs/dbraw/zinc/37/25/76/840372576.db2.gz MMNCDHXOGGWLEM-KSSFIOAISA-N 0 3 397.357 3.696 20 10 GHCDHN CCN(Cc1c(C)nn(CC(=O)OC(C)C)c1C)Cc1ccc(N(C)C)cc1 ZINC000156842891 840794353 /nfs/dbraw/zinc/79/43/53/840794353.db2.gz XNYNHIOGCMDJLO-UHFFFAOYSA-N 0 3 386.540 3.540 20 10 GHCDHN COc1ccc(O)c(CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)c1 ZINC000150812121 843093780 /nfs/dbraw/zinc/09/37/80/843093780.db2.gz CVRDQGLYCFHZHK-UHFFFAOYSA-N 0 3 384.476 3.988 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1F ZINC000731363850 861574497 /nfs/dbraw/zinc/57/44/97/861574497.db2.gz NIVXKBGCUVQQKX-OAQYLSRUSA-N 0 3 386.515 3.774 20 10 GHCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])CC1CCN(c2ccccn2)CC1 ZINC000892089782 845745540 /nfs/dbraw/zinc/74/55/40/845745540.db2.gz VJFMJECKPNWBKY-UHFFFAOYSA-N 0 3 385.508 3.543 20 10 GHCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])CC1CCN(c2ccccn2)CC1 ZINC000892089782 845745545 /nfs/dbraw/zinc/74/55/45/845745545.db2.gz VJFMJECKPNWBKY-UHFFFAOYSA-N 0 3 385.508 3.543 20 10 GHCDHN COC(=O)c1ccc(C)c(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731847078 861904997 /nfs/dbraw/zinc/90/49/97/861904997.db2.gz CAQUJJGIRXPLQB-UHFFFAOYSA-N 0 3 396.487 3.871 20 10 GHCDHN COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731847078 861905017 /nfs/dbraw/zinc/90/50/17/861905017.db2.gz CAQUJJGIRXPLQB-UHFFFAOYSA-N 0 3 396.487 3.871 20 10 GHCDHN COC(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c1 ZINC000731847078 861905025 /nfs/dbraw/zinc/90/50/25/861905025.db2.gz CAQUJJGIRXPLQB-UHFFFAOYSA-N 0 3 396.487 3.871 20 10 GHCDHN CCOc1ccc(O)c(CNCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000732231721 862163544 /nfs/dbraw/zinc/16/35/44/862163544.db2.gz WKRXSGKPGMXBNC-UHFFFAOYSA-N 0 3 393.281 3.590 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c2c1c(F)ccc2[O-] ZINC000760020252 851998836 /nfs/dbraw/zinc/99/88/36/851998836.db2.gz UQRDALOKFFOEIN-IMFGXOCKSA-N 0 3 384.495 3.960 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)c([O-])c1 ZINC000760030311 854018161 /nfs/dbraw/zinc/01/81/61/854018161.db2.gz BONONCUZXGIOOZ-CABCVRRESA-N 0 3 378.310 3.965 20 10 GHCDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@]12CCCO2 ZINC000760881978 856212643 /nfs/dbraw/zinc/21/26/43/856212643.db2.gz UUJUJXFEUXAEGQ-CGRMTHRGSA-N 0 3 394.943 3.554 20 10 GHCDHN CCN(C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856551817 881372393 /nfs/dbraw/zinc/37/23/93/881372393.db2.gz AHLUDXAGWQUXHN-SFHVURJKSA-N 0 3 375.900 3.546 20 10 GHCDHN CCN(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)ccn1 ZINC000856551817 881372412 /nfs/dbraw/zinc/37/24/12/881372412.db2.gz AHLUDXAGWQUXHN-SFHVURJKSA-N 0 3 375.900 3.546 20 10 GHCDHN C[C@@H](NC[C@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000764564214 859510280 /nfs/dbraw/zinc/51/02/80/859510280.db2.gz PMDGQIRYXFDMRM-WBVHZDCISA-N 0 3 388.895 3.667 20 10 GHCDHN CC(C)C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000765243990 859861656 /nfs/dbraw/zinc/86/16/56/859861656.db2.gz LYURQKIMRMXQHO-SIKLNZKXSA-N 0 3 380.536 3.660 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCSc4ccccc43)cc2)C1 ZINC000765246834 859864638 /nfs/dbraw/zinc/86/46/38/859864638.db2.gz XPNDPRBWTQFOLT-PXNSSMCTSA-N 0 3 381.545 3.715 20 10 GHCDHN COc1cc(C)ccc1[C@@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765255457 859873358 /nfs/dbraw/zinc/87/33/58/859873358.db2.gz QRYCIYQKPURHJF-IEBWSBKVSA-N 0 3 381.520 3.556 20 10 GHCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000765403923 859956304 /nfs/dbraw/zinc/95/63/04/859956304.db2.gz XFWBVPHKFYMANP-HNNXBMFYSA-N 0 3 393.453 3.585 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1n[nH]c2ccccc21 ZINC000727467358 860105283 /nfs/dbraw/zinc/10/52/83/860105283.db2.gz UFGXQZFCJRWQRG-UHFFFAOYSA-N 0 3 390.409 3.708 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1[nH]nc2ccccc21 ZINC000727467358 860105285 /nfs/dbraw/zinc/10/52/85/860105285.db2.gz UFGXQZFCJRWQRG-UHFFFAOYSA-N 0 3 390.409 3.708 20 10 GHCDHN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)n1 ZINC000856596042 881569399 /nfs/dbraw/zinc/56/93/99/881569399.db2.gz PYSWUXXJCRJDNU-QHCPKHFHSA-N 0 3 393.487 3.574 20 10 GHCDHN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)n1 ZINC000856596042 881569407 /nfs/dbraw/zinc/56/94/07/881569407.db2.gz PYSWUXXJCRJDNU-QHCPKHFHSA-N 0 3 393.487 3.574 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000730551530 861164649 /nfs/dbraw/zinc/16/46/49/861164649.db2.gz PAWDIPHRVNLRPL-UHFFFAOYSA-N 0 3 376.504 3.693 20 10 GHCDHN CCCS(=O)(=O)NC1CCN(Cc2cc(CC)cc(C(C)(C)C)c2O)CC1 ZINC000108927802 863786479 /nfs/dbraw/zinc/78/64/79/863786479.db2.gz XJLFYHQBMZWBLW-UHFFFAOYSA-N 0 3 396.597 3.546 20 10 GHCDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792871316 881742026 /nfs/dbraw/zinc/74/20/26/881742026.db2.gz KHTYJODEEQUAGL-UHFFFAOYSA-N 0 3 394.441 3.544 20 10 GHCDHN Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121291533 864909023 /nfs/dbraw/zinc/90/90/23/864909023.db2.gz JBLSDGFFNGXRPX-UHFFFAOYSA-N 0 3 376.504 3.854 20 10 GHCDHN [O-]c1cc2c(cc1CN1CC[NH+](CC3CCOCC3)CC1)oc1ccccc12 ZINC000736282105 865170389 /nfs/dbraw/zinc/17/03/89/865170389.db2.gz MOAUPWNYHANXJJ-UHFFFAOYSA-N 0 3 380.488 3.836 20 10 GHCDHN CC(C)CCn1cccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000738427103 865540145 /nfs/dbraw/zinc/54/01/45/865540145.db2.gz OIUXACUXDOSNGW-HXUWFJFHSA-N 0 3 382.552 3.526 20 10 GHCDHN CCOC(=O)c1cnc(N2CCN(Cc3c(O)ccc4ccccc43)CC2)s1 ZINC000743385496 868140602 /nfs/dbraw/zinc/14/06/02/868140602.db2.gz JSHVTYZNASYPLT-UHFFFAOYSA-N 0 3 397.500 3.501 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)c([O-])c1 ZINC000793388138 882162720 /nfs/dbraw/zinc/16/27/20/882162720.db2.gz MXHQJBQSLWOTJD-GFCCVEGCSA-N 0 3 393.281 3.670 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1[O-] ZINC000311296059 868895242 /nfs/dbraw/zinc/89/52/42/868895242.db2.gz PSGUROFZXIGUBD-IUODEOHRSA-N 0 3 384.904 3.932 20 10 GHCDHN COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000793592886 882298739 /nfs/dbraw/zinc/29/87/39/882298739.db2.gz DRFRSXUXUDLJGS-XMMPIXPASA-N 0 3 391.467 3.871 20 10 GHCDHN COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000793592886 882298755 /nfs/dbraw/zinc/29/87/55/882298755.db2.gz DRFRSXUXUDLJGS-XMMPIXPASA-N 0 3 391.467 3.871 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000793606772 882316291 /nfs/dbraw/zinc/31/62/91/882316291.db2.gz XXKROSUACMSRQY-HXUWFJFHSA-N 0 3 396.915 3.887 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000793606772 882316308 /nfs/dbraw/zinc/31/63/08/882316308.db2.gz XXKROSUACMSRQY-HXUWFJFHSA-N 0 3 396.915 3.887 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000793606772 882316328 /nfs/dbraw/zinc/31/63/28/882316328.db2.gz XXKROSUACMSRQY-HXUWFJFHSA-N 0 3 396.915 3.887 20 10 GHCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1I ZINC001237077456 872280583 /nfs/dbraw/zinc/28/05/83/872280583.db2.gz PKXXBPONSOKBJL-UHFFFAOYSA-N 0 3 383.229 3.637 20 10 GHCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1I ZINC001237077456 872280591 /nfs/dbraw/zinc/28/05/91/872280591.db2.gz PKXXBPONSOKBJL-UHFFFAOYSA-N 0 3 383.229 3.637 20 10 GHCDHN CCOc1cc(NC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)ncn1 ZINC000767526254 872594557 /nfs/dbraw/zinc/59/45/57/872594557.db2.gz XBZVGKZIYIFCDF-UHFFFAOYSA-N 0 3 378.476 3.811 20 10 GHCDHN Cc1ccc(C(=O)C2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c(C)c1 ZINC000768440839 873305248 /nfs/dbraw/zinc/30/52/48/873305248.db2.gz ZRDKKHAMNDJXIA-NRFANRHFSA-N 0 3 381.472 3.530 20 10 GHCDHN CCCN(CC(=O)NCCc1cccc2cccnc21)Cc1ccccc1O ZINC000768540677 873373171 /nfs/dbraw/zinc/37/31/71/873373171.db2.gz BJOIXHINRZPUFD-UHFFFAOYSA-N 0 3 377.488 3.511 20 10 GHCDHN COc1ccc(N2CCCN(Cc3c[nH]nc3-c3ccccc3F)CC2)cc1 ZINC000768998448 873762339 /nfs/dbraw/zinc/76/23/39/873762339.db2.gz LZXAWAXJWKDHPZ-UHFFFAOYSA-N 0 3 380.467 3.937 20 10 GHCDHN COc1cc(Br)cc(CN2CCCN(c3ccccc3)CC2)c1O ZINC000769001185 873765981 /nfs/dbraw/zinc/76/59/81/873765981.db2.gz ZQHKKAFPZCLPAN-UHFFFAOYSA-N 0 3 391.309 3.876 20 10 GHCDHN C[C@H](NCC(=O)Nc1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000775837489 874332165 /nfs/dbraw/zinc/33/21/65/874332165.db2.gz SXOHMZHUHMBSTK-LBPRGKRZSA-N 0 3 394.288 3.944 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)c2)CC1 ZINC000770143559 874493393 /nfs/dbraw/zinc/49/33/93/874493393.db2.gz OAQNJZGVYMVECU-OAQYLSRUSA-N 0 3 393.531 3.975 20 10 GHCDHN CCN(C)c1ccc(CN2CCC(n3cnc4ccccc4c3=O)CC2)cc1 ZINC001198800905 874640513 /nfs/dbraw/zinc/64/05/13/874640513.db2.gz NEXKTJQABFAELN-UHFFFAOYSA-N 0 3 376.504 3.690 20 10 GHCDHN CN1CCN(Cc2cccc(NCc3c(O)cccc3Br)c2)CC1 ZINC000858107615 882852359 /nfs/dbraw/zinc/85/23/59/882852359.db2.gz GBNLKXBWKHNEMX-UHFFFAOYSA-N 0 3 390.325 3.514 20 10 GHCDHN COC(=O)C(C)(C)[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000770443258 874686267 /nfs/dbraw/zinc/68/62/67/874686267.db2.gz DQYPCGSAZJWNFN-OAQYLSRUSA-N 0 3 382.504 3.553 20 10 GHCDHN CN1CCN(c2cccc(Cl)c2CNCc2ccc3c(c2)CCCN3C)CC1 ZINC000770730149 874836581 /nfs/dbraw/zinc/83/65/81/874836581.db2.gz RWOSASONXHREGW-UHFFFAOYSA-N 0 3 398.982 3.764 20 10 GHCDHN CN(C)Cc1cccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1 ZINC001201399664 875658321 /nfs/dbraw/zinc/65/83/21/875658321.db2.gz HKXKJYLDLFQOMY-UHFFFAOYSA-N 0 3 387.483 3.751 20 10 GHCDHN CCOc1c(CN[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)nn1CC(C)C ZINC000850345970 876837608 /nfs/dbraw/zinc/83/76/08/876837608.db2.gz PAULKNREAFHPQI-SFHVURJKSA-N 0 3 386.540 3.623 20 10 GHCDHN COc1ccc(N2CC[C@@H](NCc3cnc(-c4ccccc4OC)nc3)C2)cc1 ZINC000850347708 876838931 /nfs/dbraw/zinc/83/89/31/876838931.db2.gz WKDOSQAXRLLJBE-GOSISDBHSA-N 0 3 390.487 3.529 20 10 GHCDHN Cc1nn(-c2ccccc2F)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406342 876888511 /nfs/dbraw/zinc/88/85/11/876888511.db2.gz CHOBDWGCJXCVBB-UHFFFAOYSA-N 0 3 394.494 3.571 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1[O-] ZINC000850501418 876976316 /nfs/dbraw/zinc/97/63/16/876976316.db2.gz BVTLVLGGPGBRLM-RPWYAYDISA-N 0 3 390.343 3.504 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1[O-] ZINC000850573955 877040411 /nfs/dbraw/zinc/04/04/11/877040411.db2.gz UHPABZNBIAHKSP-GFCCVEGCSA-N 0 3 399.329 3.640 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1[O-] ZINC000850582890 877055878 /nfs/dbraw/zinc/05/58/78/877055878.db2.gz HFFMSBFROWYFTM-NVGCLXPQSA-N 0 3 380.282 3.936 20 10 GHCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@@H]1C ZINC000787241589 877260176 /nfs/dbraw/zinc/26/01/76/877260176.db2.gz UHAWCNNVTOLLOJ-RISCZKNCSA-N 0 3 378.266 3.691 20 10 GHCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)[C@@H]1C ZINC000787241589 877260191 /nfs/dbraw/zinc/26/01/91/877260191.db2.gz UHAWCNNVTOLLOJ-RISCZKNCSA-N 0 3 378.266 3.691 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093387537 912233219 /nfs/dbraw/zinc/23/32/19/912233219.db2.gz SPBNFJJJYICUGP-KRWDZBQOSA-N 0 3 392.293 3.645 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093387537 912233236 /nfs/dbraw/zinc/23/32/36/912233236.db2.gz SPBNFJJJYICUGP-KRWDZBQOSA-N 0 3 392.293 3.645 20 10 GHCDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787995659 877763418 /nfs/dbraw/zinc/76/34/18/877763418.db2.gz PBQZAQVZGOPXEF-RBUKOAKNSA-N 0 3 379.464 3.545 20 10 GHCDHN COc1cc(C)cc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC001183280103 912379232 /nfs/dbraw/zinc/37/92/32/912379232.db2.gz GFIFHJWQTVITHE-INIZCTEOSA-N 0 3 394.393 3.623 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)c1[O-] ZINC000858480127 883131818 /nfs/dbraw/zinc/13/18/18/883131818.db2.gz LPAXEUJOMSGNCN-JQWIXIFHSA-N 0 3 393.272 3.543 20 10 GHCDHN CC(C)(C)OC(=O)N1CC(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000859189743 883647551 /nfs/dbraw/zinc/64/75/51/883647551.db2.gz CJAYVGMTTJKURM-IBGZPJMESA-N 0 3 390.524 3.630 20 10 GHCDHN CC(C)(C)OC(=O)N1CC(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000859189743 883647560 /nfs/dbraw/zinc/64/75/60/883647560.db2.gz CJAYVGMTTJKURM-IBGZPJMESA-N 0 3 390.524 3.630 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)OCCNC4)cc2)CC1 ZINC000859756243 884038570 /nfs/dbraw/zinc/03/85/70/884038570.db2.gz KFEYSEJVVPANCO-UHFFFAOYSA-N 0 3 394.519 3.727 20 10 GHCDHN C[C@@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806172706 884394532 /nfs/dbraw/zinc/39/45/32/884394532.db2.gz RKXCWVNUBWBNGB-IERDGZPVSA-N 0 3 389.490 3.755 20 10 GHCDHN COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(Cl)cc(C)c3[O-])C2=O)cc1 ZINC000808707544 886687753 /nfs/dbraw/zinc/68/77/53/886687753.db2.gz RQZBQVWEIGOZPH-KUHUBIRLSA-N 0 3 388.895 3.814 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000809779008 887831069 /nfs/dbraw/zinc/83/10/69/887831069.db2.gz AOBHAOQFHLESOT-AWEZNQCLSA-N 0 3 384.701 3.982 20 10 GHCDHN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219883 888296782 /nfs/dbraw/zinc/29/67/82/888296782.db2.gz XGSBGYOIEMLGPB-RDTXWAMCSA-N 0 3 386.458 3.953 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]Cc2cccc3c2CCOC3)c1[O-] ZINC000865724968 888547544 /nfs/dbraw/zinc/54/75/44/888547544.db2.gz AELLRTIXDQFSHN-UHFFFAOYSA-N 0 3 378.266 3.526 20 10 GHCDHN COc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1Cn1cccn1 ZINC000873126453 891476608 /nfs/dbraw/zinc/47/66/08/891476608.db2.gz HOGYONDQHDYUPC-FQEVSTJZSA-N 0 3 385.895 3.807 20 10 GHCDHN COc1ccc([C@@H](NCc2ccc(OC)c(Cn3cccn3)c2)C2CC2)cn1 ZINC000873146966 891485476 /nfs/dbraw/zinc/48/54/76/891485476.db2.gz QBZULTLFAFDIPE-QFIPXVFZSA-N 0 3 378.476 3.585 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176084 892330243 /nfs/dbraw/zinc/33/02/43/892330243.db2.gz MAYNZMOJJBTKHG-CRAIPNDOSA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176084 892330261 /nfs/dbraw/zinc/33/02/61/892330261.db2.gz MAYNZMOJJBTKHG-CRAIPNDOSA-N 0 3 376.497 3.622 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn(C)nc2C2CCCCC2)N(C)C)cc1 ZINC001134681916 893217564 /nfs/dbraw/zinc/21/75/64/893217564.db2.gz MTWNFCHXEMTMLX-NRFANRHFSA-N 0 3 397.567 3.567 20 10 GHCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1N1CCCC1 ZINC000876551077 893224110 /nfs/dbraw/zinc/22/41/10/893224110.db2.gz QBJJTNGEMDDGSG-UHFFFAOYSA-N 0 3 379.548 3.880 20 10 GHCDHN Cc1cc(CN(C)[C@H](CO)c2cccc(Br)c2)ccc1N(C)C ZINC000815080574 893427728 /nfs/dbraw/zinc/42/77/28/893427728.db2.gz DONFICWVIFMGBR-LJQANCHMSA-N 0 3 377.326 3.989 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877757363 893795614 /nfs/dbraw/zinc/79/56/14/893795614.db2.gz TVUYRLLQBVTYGW-KANFNMMFSA-N 0 3 390.524 3.847 20 10 GHCDHN O=S1(=O)CCC(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815600128 894036926 /nfs/dbraw/zinc/03/69/26/894036926.db2.gz MJDPLJLALOXIPV-NRFANRHFSA-N 0 3 387.545 3.871 20 10 GHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])[C@@H]1n1cccn1 ZINC000815660689 894076089 /nfs/dbraw/zinc/07/60/89/894076089.db2.gz GSGHTYUHJZJGCX-SJWGOKEGSA-N 0 3 394.313 3.729 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648493 895201870 /nfs/dbraw/zinc/20/18/70/895201870.db2.gz RFINJIBNSXDIRT-ZBFHGGJFSA-N 0 3 378.476 3.873 20 10 GHCDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)[C@@H]2C1 ZINC000824668218 899754054 /nfs/dbraw/zinc/75/40/54/899754054.db2.gz LMZCAGGDZCJSLL-OXJNMPFZSA-N 0 3 391.475 3.593 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282959293 900978257 /nfs/dbraw/zinc/97/82/57/900978257.db2.gz HSZOBWDYDKOUIW-NFBKMPQASA-N 0 3 397.515 3.629 20 10 GHCDHN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844750559 901229588 /nfs/dbraw/zinc/22/95/88/901229588.db2.gz PXNXVEUTNYKMJP-WMZOPIPTSA-N 0 3 389.879 3.989 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@H]3CSCCc4ccccc43)cc2)CC1 ZINC000886747525 901252245 /nfs/dbraw/zinc/25/22/45/901252245.db2.gz WYZUFRQATLLKKG-QFIPXVFZSA-N 0 3 395.572 3.509 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1[O-] ZINC000779031112 903200292 /nfs/dbraw/zinc/20/02/92/903200292.db2.gz YNPPRYWHCQFDAM-XJKSGUPXSA-N 0 3 395.341 3.905 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000779039074 903388194 /nfs/dbraw/zinc/38/81/94/903388194.db2.gz PIOZCSRRSMAUEX-ORAYPTAESA-N 0 3 376.294 3.948 20 10 GHCDHN Cc1ccc2c(CN(C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000153026299 904321081 /nfs/dbraw/zinc/32/10/81/904321081.db2.gz JUNDJANOOFRBOW-UHFFFAOYSA-N 0 3 378.472 3.570 20 10 GHCDHN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773100969 904436256 /nfs/dbraw/zinc/43/62/56/904436256.db2.gz HHXNUARCVUIHPD-SJORKVTESA-N 0 3 386.927 3.501 20 10 GHCDHN C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773133132 904461679 /nfs/dbraw/zinc/46/16/79/904461679.db2.gz QMHIYHSFVAYUTI-CRAIPNDOSA-N 0 3 392.902 3.570 20 10 GHCDHN COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000188644864 904953228 /nfs/dbraw/zinc/95/32/28/904953228.db2.gz IQLJBZQNXMINJF-KRWDZBQOSA-N 0 3 398.503 3.928 20 10 GHCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 ZINC000178228695 906311443 /nfs/dbraw/zinc/31/14/43/906311443.db2.gz UGQVBUMDSHHCOR-MRXNPFEDSA-N 0 3 390.549 3.796 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1[O-] ZINC000186973679 908013839 /nfs/dbraw/zinc/01/38/39/908013839.db2.gz DYDUYXVBSRMTCA-CYBMUJFWSA-N 0 3 393.329 3.674 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000192723315 908817123 /nfs/dbraw/zinc/81/71/23/908817123.db2.gz ADORQIWLBHGRTB-OAQYLSRUSA-N 0 3 399.466 3.862 20 10 GHCDHN C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192747223 908820185 /nfs/dbraw/zinc/82/01/85/908820185.db2.gz FHXUUWFOCJJEFC-ZDUSSCGKSA-N 0 3 395.334 3.697 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CNc2cc3n(n2)CCN(C)C3)cc1 ZINC001179419608 909530911 /nfs/dbraw/zinc/53/09/11/909530911.db2.gz PKCBAPZTHDXVAB-UHFFFAOYSA-N 0 3 375.520 3.967 20 10 GHCDHN COC1CCN(c2ccc(CN3CCC[C@@](O)(C(F)(F)F)CC3)cc2)CC1 ZINC000295268823 917239397 /nfs/dbraw/zinc/23/93/97/917239397.db2.gz JKTJVJKYBOGDOK-IBGZPJMESA-N 0 3 386.458 3.581 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796488580 917739594 /nfs/dbraw/zinc/73/95/94/917739594.db2.gz FABLAZOODUERDS-SFHVURJKSA-N 0 3 386.561 3.768 20 10 GHCDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCN3Cc2ccccc2)CCCC1 ZINC000796515586 917949352 /nfs/dbraw/zinc/94/93/52/917949352.db2.gz XFYORPTUBRWCDR-UHFFFAOYSA-N 0 3 398.572 3.696 20 10 GHCDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc2cc(O)c(O)cc2s1 ZINC000900958167 920763145 /nfs/dbraw/zinc/76/31/45/920763145.db2.gz MKDLEJPIMCEAHE-UHFFFAOYSA-N 0 3 398.484 3.522 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1[O-] ZINC000372418272 925410274 /nfs/dbraw/zinc/41/02/74/925410274.db2.gz UCEJWJCVOMSWAT-CYBMUJFWSA-N 0 3 387.281 3.895 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000725848409 926466061 /nfs/dbraw/zinc/46/60/61/926466061.db2.gz SCBIPCQPLZVDOF-CQSZACIVSA-N 0 3 391.309 3.779 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1cccc(Br)c1 ZINC000725890351 926481669 /nfs/dbraw/zinc/48/16/69/926481669.db2.gz SBWWGYZZSWCFEW-MRXNPFEDSA-N 0 3 390.325 3.681 20 10 GHCDHN C[C@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000749884197 927328893 /nfs/dbraw/zinc/32/88/93/927328893.db2.gz RIPYJHOWTNAVEH-KKSFZXQISA-N 0 3 399.922 3.633 20 10 GHCDHN CCOC(=O)N[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753537285 929396508 /nfs/dbraw/zinc/39/65/08/929396508.db2.gz STKPUWRLZIGPRM-IBGZPJMESA-N 0 3 384.476 3.682 20 10 GHCDHN CN1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)[C@@H]1c1ccccc1 ZINC000758968589 930232039 /nfs/dbraw/zinc/23/20/39/930232039.db2.gz YIOOTRFZDQKUFQ-UNMCSNQZSA-N 0 3 379.504 3.516 20 10 GHCDHN COc1ccc(N2CCCN(C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759045841 930255699 /nfs/dbraw/zinc/25/56/99/930255699.db2.gz UHIAFUIMTXYGKH-HXUWFJFHSA-N 0 3 378.875 3.733 20 10 GHCDHN O=C(NCCCSc1nccs1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000759563938 930404451 /nfs/dbraw/zinc/40/44/51/930404451.db2.gz HFVUJTKLDOERLL-QGZVFWFLSA-N 0 3 390.578 3.589 20 10 GHCDHN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C2 ZINC000784625168 931961182 /nfs/dbraw/zinc/96/11/82/931961182.db2.gz CZWHYVWOZHKSTE-INIZCTEOSA-N 0 3 392.293 3.819 20 10 GHCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cc(F)ccc1[O-] ZINC000926993186 932373515 /nfs/dbraw/zinc/37/35/15/932373515.db2.gz CNVWNDFXUFCDHD-OHCIBOTMSA-N 0 3 379.472 3.851 20 10 GHCDHN CCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000777679780 932867542 /nfs/dbraw/zinc/86/75/42/932867542.db2.gz WIZKKYDQOJIPKP-UHFFFAOYSA-N 0 3 399.560 3.582 20 10 GHCDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001116013796 933282449 /nfs/dbraw/zinc/28/24/49/933282449.db2.gz RMTHFQXAJXGIDY-OAHLLOKOSA-N 0 3 377.485 3.795 20 10 GHCDHN Cc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c2c(n1)CCCC2 ZINC001119941170 934421136 /nfs/dbraw/zinc/42/11/36/934421136.db2.gz XLIQIZZJAWEIBI-UHFFFAOYSA-N 0 3 379.548 3.767 20 10 GHCDHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001221172969 1032317193 /nfs/dbraw/zinc/31/71/93/1032317193.db2.gz KBBYSBNTXCSPRO-UIAACRFSSA-N 0 3 384.524 3.571 20 10 GHCDHN CCC1=NC2(CCN(Cc3ccc(N(C)C)c4ccccc34)CC2)C(=O)N1C ZINC001204240882 1032685304 /nfs/dbraw/zinc/68/53/04/1032685304.db2.gz IKODCICYTLNASH-UHFFFAOYSA-N 0 3 378.520 3.521 20 10 GHCDHN COc1cc(CN2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)cc(O)c1O ZINC001204350204 1032786991 /nfs/dbraw/zinc/78/69/91/1032786991.db2.gz YQOQPNPCGZOYKU-XXBNENTESA-N 0 3 398.503 3.629 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)CC2 ZINC000834783471 1021467697 /nfs/dbraw/zinc/46/76/97/1021467697.db2.gz HJDILBBBFWRICJ-YOEHRIQHSA-N 0 3 376.294 3.583 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1[O-] ZINC000834883928 1021610381 /nfs/dbraw/zinc/61/03/81/1021610381.db2.gz RUKOBYGFNHHGKD-LBPRGKRZSA-N 0 3 398.322 3.717 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1[O-] ZINC000834897765 1021641519 /nfs/dbraw/zinc/64/15/19/1021641519.db2.gz VGAZBDOOTAYTRI-QEORTHHSSA-N 0 3 394.313 3.768 20 10 GHCDHN Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000834904563 1021653634 /nfs/dbraw/zinc/65/36/34/1021653634.db2.gz OOPPYXRFQWAQJI-HUUCEWRRSA-N 0 3 378.310 3.965 20 10 GHCDHN CN(Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CC(F)(F)C1 ZINC001140475270 1021770646 /nfs/dbraw/zinc/77/06/46/1021770646.db2.gz YRLZVYWFYHVFTF-UHFFFAOYSA-N 0 3 395.494 3.973 20 10 GHCDHN CCO[C@@H]1C[C@@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C12CCC2 ZINC001204664372 1033018974 /nfs/dbraw/zinc/01/89/74/1033018974.db2.gz HMHKDNXCMAVOHC-RTBURBONSA-N 0 3 388.483 3.884 20 10 GHCDHN CCO[C@H]1C[C@@H](N(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C12CCC2 ZINC001204664369 1033019944 /nfs/dbraw/zinc/01/99/44/1033019944.db2.gz HMHKDNXCMAVOHC-MOPGFXCFSA-N 0 3 388.483 3.884 20 10 GHCDHN CN(c1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1)C1CCCCC1 ZINC000827820758 1022349566 /nfs/dbraw/zinc/34/95/66/1022349566.db2.gz DBFKTWCWVJDEGM-ZFGGDYGUSA-N 0 3 399.579 3.604 20 10 GHCDHN C[C@@H]1CN([C@H](C[NH2+]Cc2ccccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000725846255 1022387659 /nfs/dbraw/zinc/38/76/59/1022387659.db2.gz ZVPCIQKCVGVCLI-RDTXWAMCSA-N 0 3 378.875 3.736 20 10 GHCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC001140922454 1022890187 /nfs/dbraw/zinc/89/01/87/1022890187.db2.gz RGUMELSXNPDZDH-KDURUIRLSA-N 0 3 383.923 3.610 20 10 GHCDHN COc1cc(O)c(CN2CCC(Oc3ccc(F)cc3F)CC2)c(OC)c1 ZINC001141028637 1023277460 /nfs/dbraw/zinc/27/74/60/1023277460.db2.gz XYHXUUDIRHNAAU-UHFFFAOYSA-N 0 3 379.403 3.731 20 10 GHCDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030725 1023295530 /nfs/dbraw/zinc/29/55/30/1023295530.db2.gz IPNPPJPJRZHBPC-IRXDYDNUSA-N 0 3 394.512 3.677 20 10 GHCDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(OC)c1 ZINC001141030725 1023295531 /nfs/dbraw/zinc/29/55/31/1023295531.db2.gz IPNPPJPJRZHBPC-IRXDYDNUSA-N 0 3 394.512 3.677 20 10 GHCDHN CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000756435282 1023647706 /nfs/dbraw/zinc/64/77/06/1023647706.db2.gz YSOMWNYDJLRUOS-MRXNPFEDSA-N 0 3 389.490 3.659 20 10 GHCDHN Cc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(O)c1C ZINC000756467709 1023669326 /nfs/dbraw/zinc/66/93/26/1023669326.db2.gz XJEKXSAIFOGCMN-INIZCTEOSA-N 0 3 390.549 3.937 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000756483688 1023680646 /nfs/dbraw/zinc/68/06/46/1023680646.db2.gz VGOXPQJZRUECDT-IAQYHMDHSA-N 0 3 383.872 3.797 20 10 GHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000756537595 1023704103 /nfs/dbraw/zinc/70/41/03/1023704103.db2.gz YJVXGOSDCVEHMA-IGCXYCKISA-N 0 3 392.496 3.681 20 10 GHCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000756654884 1023756429 /nfs/dbraw/zinc/75/64/29/1023756429.db2.gz MORQABKWOLJDRZ-KURKYZTESA-N 0 3 396.531 3.986 20 10 GHCDHN COc1ccc([C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)N(C)C)cc1OC ZINC000756665954 1023764294 /nfs/dbraw/zinc/76/42/94/1023764294.db2.gz XJPGAISLZNDBRR-COXVUDFISA-N 0 3 388.483 3.989 20 10 GHCDHN COCCN(CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)OC(C)(C)C ZINC000756780836 1023813273 /nfs/dbraw/zinc/81/32/73/1023813273.db2.gz WBMVLTULHQVURH-HIFRSBDPSA-N 0 3 382.476 3.553 20 10 GHCDHN CCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144302 1023962058 /nfs/dbraw/zinc/96/20/58/1023962058.db2.gz ZAIVTSZSSIWNBD-UHFFFAOYSA-N 0 3 389.540 3.737 20 10 GHCDHN Cc1c(CN2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c2ccccc2n1C ZINC001138255885 1024480897 /nfs/dbraw/zinc/48/08/97/1024480897.db2.gz WMRDAHIOXIBHIF-GOSISDBHSA-N 0 3 395.547 3.527 20 10 GHCDHN Cc1c(CN2CCc3ncnc(-c4ccncc4)c3CC2)c2ccccc2n1C ZINC001138256630 1024482363 /nfs/dbraw/zinc/48/23/63/1024482363.db2.gz DBMUAEWGHRPYBE-UHFFFAOYSA-N 0 3 383.499 3.940 20 10 GHCDHN CN1CCCc2cc(CN3CCC(N4c5ccccc5CC4=O)CC3)ccc21 ZINC001138357442 1024721788 /nfs/dbraw/zinc/72/17/88/1024721788.db2.gz DYAOEJDEISWHJI-UHFFFAOYSA-N 0 3 375.516 3.623 20 10 GHCDHN CCN(CC)c1ccc(CN2CCC3(CCOC[C@H]3COC)CC2)c(OC)c1 ZINC001138389368 1024765863 /nfs/dbraw/zinc/76/58/63/1024765863.db2.gz NDQSBUAHVJZUNX-HXUWFJFHSA-N 0 3 390.568 3.807 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3c[nH]c4cccc(C)c34)CC2)cc1 ZINC001139198266 1026042966 /nfs/dbraw/zinc/04/29/66/1026042966.db2.gz AOCRJLWDHGGARD-UHFFFAOYSA-N 0 3 379.504 3.824 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc4c(c3)OC(C)(C)O4)CC2)cc1 ZINC001164333692 1026488216 /nfs/dbraw/zinc/48/82/16/1026488216.db2.gz CHTYYJCGGVPXHY-UHFFFAOYSA-N 0 3 397.519 3.827 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)Cc2ccccc2CN(C)C3=O)ccc1N(C)C ZINC001139671038 1026526517 /nfs/dbraw/zinc/52/65/17/1026526517.db2.gz DTRPEAWWKSTCHS-UHFFFAOYSA-N 0 3 391.559 3.858 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2ccccc21 ZINC001140055586 1026835562 /nfs/dbraw/zinc/83/55/62/1026835562.db2.gz LVRVDRJWDIRUNK-MRXNPFEDSA-N 0 3 382.479 3.689 20 10 GHCDHN Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203555520 1027432841 /nfs/dbraw/zinc/43/28/41/1027432841.db2.gz BPDMSWMELAKOTB-OAQYLSRUSA-N 0 3 393.531 3.950 20 10 GHCDHN CCOCC[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203560553 1027433913 /nfs/dbraw/zinc/43/39/13/1027433913.db2.gz CMZBNZKLQDMYFI-UHFFFAOYSA-N 0 3 378.513 3.630 20 10 GHCDHN CCOCC[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203560553 1027433927 /nfs/dbraw/zinc/43/39/27/1027433927.db2.gz CMZBNZKLQDMYFI-UHFFFAOYSA-N 0 3 378.513 3.630 20 10 GHCDHN CCOc1cccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC001203603457 1027467967 /nfs/dbraw/zinc/46/79/67/1027467967.db2.gz QDIVEKFENWBMLI-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN CCOc1cccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC001203603457 1027467976 /nfs/dbraw/zinc/46/79/76/1027467976.db2.gz QDIVEKFENWBMLI-HZPDHXFCSA-N 0 3 378.513 3.916 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001203622336 1027483392 /nfs/dbraw/zinc/48/33/92/1027483392.db2.gz YHGBWJINNAWLRT-WIYYLYMNSA-N 0 3 394.487 3.572 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)c([O-])c1 ZINC001203622336 1027483395 /nfs/dbraw/zinc/48/33/95/1027483395.db2.gz YHGBWJINNAWLRT-WIYYLYMNSA-N 0 3 394.487 3.572 20 10 GHCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)c([O-])c1 ZINC001203623603 1027486305 /nfs/dbraw/zinc/48/63/05/1027486305.db2.gz UVYBGEUDVYURRQ-OAQYLSRUSA-N 0 3 386.517 3.591 20 10 GHCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)c([O-])c1 ZINC001203623603 1027486313 /nfs/dbraw/zinc/48/63/13/1027486313.db2.gz UVYBGEUDVYURRQ-OAQYLSRUSA-N 0 3 386.517 3.591 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203656731 1027512038 /nfs/dbraw/zinc/51/20/38/1027512038.db2.gz WGBFFYRXXDSYGH-SFHVURJKSA-N 0 3 390.911 3.894 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203875528 1027676214 /nfs/dbraw/zinc/67/62/14/1027676214.db2.gz PECQVYNRLFTMAM-UHFFFAOYSA-N 0 3 376.497 3.711 20 10 GHCDHN COc1ccc(NC(=O)NC2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203937575 1027732176 /nfs/dbraw/zinc/73/21/76/1027732176.db2.gz YAUBNKHXKYSVAL-UHFFFAOYSA-N 0 3 382.508 3.547 20 10 GHCDHN CCN(CC)c1ccc(CN2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cc1 ZINC001203940359 1027735183 /nfs/dbraw/zinc/73/51/83/1027735183.db2.gz WVHCFNVLGXROET-GIWBLDEGSA-N 0 3 381.520 3.739 20 10 GHCDHN CC(=O)Nc1ccc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000840757538 1027794499 /nfs/dbraw/zinc/79/44/99/1027794499.db2.gz ARWJZPOYLYLRCY-CQSZACIVSA-N 0 3 389.446 3.611 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1[O-] ZINC000840978035 1028017562 /nfs/dbraw/zinc/01/75/62/1028017562.db2.gz OUSDMSYEXWZWTR-HNNXBMFYSA-N 0 3 395.272 3.671 20 10 GHCDHN O=C(NC[C@@H]1NCCc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000841994210 1029025953 /nfs/dbraw/zinc/02/59/53/1029025953.db2.gz CAJMRLAHNYOJJV-NRFANRHFSA-N 0 3 391.471 3.584 20 10 GHCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000842767313 1029574712 /nfs/dbraw/zinc/57/47/12/1029574712.db2.gz OTRBMKINTPALCZ-LZQZEXGQSA-N 0 3 379.526 3.584 20 10 GHCDHN CCCCN1CC[C@]2(CC[N@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959741 1030950059 /nfs/dbraw/zinc/95/00/59/1030950059.db2.gz XHAVTRPXPBGYBG-IBGZPJMESA-N 0 3 395.341 3.688 20 10 GHCDHN CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3[O-])C2)C1=O ZINC001276959741 1030950070 /nfs/dbraw/zinc/95/00/70/1030950070.db2.gz XHAVTRPXPBGYBG-IBGZPJMESA-N 0 3 395.341 3.688 20 10 GHCDHN COc1ccc(C[NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC001205517907 1033449158 /nfs/dbraw/zinc/44/91/58/1033449158.db2.gz XRQLDDVZWSDHGR-MRXNPFEDSA-N 0 3 396.487 3.736 20 10 GHCDHN Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC001205822842 1033591613 /nfs/dbraw/zinc/59/16/13/1033591613.db2.gz VCYYEAKBXQHTRG-CYBMUJFWSA-N 0 3 382.273 3.543 20 10 GHCDHN Cc1c(C(=O)N(C)C[C@H]2CNCCO2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001157720405 1033737294 /nfs/dbraw/zinc/73/72/94/1033737294.db2.gz IMLBGELDQHOKCT-OAQYLSRUSA-N 0 3 389.499 3.513 20 10 GHCDHN CCCCN1CC[C@]2(CC[N@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277426862 1033764651 /nfs/dbraw/zinc/76/46/51/1033764651.db2.gz KTGZIEIUUKEEOI-IBGZPJMESA-N 0 3 395.341 3.688 20 10 GHCDHN CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3[O-])C2)C1=O ZINC001277426862 1033764659 /nfs/dbraw/zinc/76/46/59/1033764659.db2.gz KTGZIEIUUKEEOI-IBGZPJMESA-N 0 3 395.341 3.688 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3cc2[O-])[NH+](C)C)cc1 ZINC001158717694 1034242972 /nfs/dbraw/zinc/24/29/72/1034242972.db2.gz QVRSEMPRLUMGNC-NRFANRHFSA-N 0 3 377.488 3.644 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)N(C)C)cc1 ZINC001158717624 1034243619 /nfs/dbraw/zinc/24/36/19/1034243619.db2.gz PZLDPZIZDNRZNR-JOCHJYFZSA-N 0 3 394.494 3.920 20 10 GHCDHN O=C([O-])c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([O-])c1 ZINC001231452863 1034596407 /nfs/dbraw/zinc/59/64/07/1034596407.db2.gz VLXRUUUFRDMJPI-UHFFFAOYSA-N 0 3 380.488 3.579 20 10 GHCDHN O=C([O-])c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([O-])c1 ZINC001231452863 1034596412 /nfs/dbraw/zinc/59/64/12/1034596412.db2.gz VLXRUUUFRDMJPI-UHFFFAOYSA-N 0 3 380.488 3.579 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCO[C@@H]2C1 ZINC001231587614 1034742582 /nfs/dbraw/zinc/74/25/82/1034742582.db2.gz WRVUFRUJLMRZRC-LAUBAEHRSA-N 0 3 398.503 3.613 20 10 GHCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCO[C@@H]2C1 ZINC001231587614 1034742593 /nfs/dbraw/zinc/74/25/93/1034742593.db2.gz WRVUFRUJLMRZRC-LAUBAEHRSA-N 0 3 398.503 3.613 20 10 GHCDHN Cc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1O ZINC001231594593 1034749452 /nfs/dbraw/zinc/74/94/52/1034749452.db2.gz LYXLWMMTIUPXOD-CABCVRRESA-N 0 3 388.430 3.978 20 10 GHCDHN Cc1cnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])nc1NC1CC1 ZINC001160616968 1035017852 /nfs/dbraw/zinc/01/78/52/1035017852.db2.gz YYUBGARBUNDVIN-WOJBJXKFSA-N 0 3 391.475 3.624 20 10 GHCDHN CCOc1ccc(N2CCN(CCCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001209368642 1035256666 /nfs/dbraw/zinc/25/66/66/1035256666.db2.gz OPTARDHSMJOVBP-UHFFFAOYSA-N 0 3 377.529 3.512 20 10 GHCDHN C[N@H+](Cc1ccc(F)cc1)C1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263010 1037983090 /nfs/dbraw/zinc/98/30/90/1037983090.db2.gz BSDQOQPUGDJBTL-UHFFFAOYSA-N 0 3 378.875 3.987 20 10 GHCDHN C[N@@H+](Cc1ccc(F)cc1)C1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263010 1037983099 /nfs/dbraw/zinc/98/30/99/1037983099.db2.gz BSDQOQPUGDJBTL-UHFFFAOYSA-N 0 3 378.875 3.987 20 10 GHCDHN Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3cc(Cl)c([O-])cc3O)C[C@H]21 ZINC001232261623 1037983139 /nfs/dbraw/zinc/98/31/39/1037983139.db2.gz KUGCLEGHHLUUGC-ZBFHGGJFSA-N 0 3 395.890 3.923 20 10 GHCDHN Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3cc(Cl)c([O-])cc3O)C[C@H]21 ZINC001232261623 1037983142 /nfs/dbraw/zinc/98/31/42/1037983142.db2.gz KUGCLEGHHLUUGC-ZBFHGGJFSA-N 0 3 395.890 3.923 20 10 GHCDHN CN(C)c1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)c(O)c1 ZINC001232840523 1038591275 /nfs/dbraw/zinc/59/12/75/1038591275.db2.gz BZOCUFFXXHSUEQ-UHFFFAOYSA-N 0 3 375.516 3.929 20 10 GHCDHN CCC[N@@H+](Cc1ccc(N(C)C)cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232841849 1038592429 /nfs/dbraw/zinc/59/24/29/1038592429.db2.gz UITBETWFSZDYHS-KRWDZBQOSA-N 0 3 391.556 3.927 20 10 GHCDHN CCC[N@H+](Cc1ccc(N(C)C)cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232841849 1038592443 /nfs/dbraw/zinc/59/24/43/1038592443.db2.gz UITBETWFSZDYHS-KRWDZBQOSA-N 0 3 391.556 3.927 20 10 GHCDHN Cc1ccc(-c2noc(C3CCN(Cc4cc(O)c(O)cc4O)CC3)n2)cc1 ZINC001233485994 1039381449 /nfs/dbraw/zinc/38/14/49/1039381449.db2.gz TVQIRRISBLYRBM-UHFFFAOYSA-N 0 3 381.432 3.541 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H](C)O)cc1 ZINC001233726439 1039569068 /nfs/dbraw/zinc/56/90/68/1039569068.db2.gz DKMNVWKNTFTPSZ-AWEZNQCLSA-N 0 3 399.409 3.725 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H](C)O)cc1 ZINC001233726439 1039569074 /nfs/dbraw/zinc/56/90/74/1039569074.db2.gz DKMNVWKNTFTPSZ-AWEZNQCLSA-N 0 3 399.409 3.725 20 10 GHCDHN CC1(C(=O)N2CCCC2)CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760829 1039596329 /nfs/dbraw/zinc/59/63/29/1039596329.db2.gz LDCBXLBDOASNCM-UHFFFAOYSA-N 0 3 386.414 3.515 20 10 GHCDHN COC(=O)c1ccc(C2CN(Cc3cccc(OC(F)(F)F)c3O)C2)cc1 ZINC001233776844 1039607686 /nfs/dbraw/zinc/60/76/86/1039607686.db2.gz ZURLGOXDGIWCGI-UHFFFAOYSA-N 0 3 381.350 3.677 20 10 GHCDHN COc1ccc(CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H](C)O)cc1 ZINC001234518036 1040095212 /nfs/dbraw/zinc/09/52/12/1040095212.db2.gz BDJCFBCBGQOGNX-QGZVFWFLSA-N 0 3 395.499 3.988 20 10 GHCDHN COc1ccc(CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H](C)O)cc1 ZINC001234518036 1040095228 /nfs/dbraw/zinc/09/52/28/1040095228.db2.gz BDJCFBCBGQOGNX-QGZVFWFLSA-N 0 3 395.499 3.988 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4CCN(C(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234526040 1040101502 /nfs/dbraw/zinc/10/15/02/1040101502.db2.gz PGMASTHLXWQMQW-OXJNMPFZSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4CCN(C(=O)OC(C)(C)C)[C@@H]4C3)c2c1 ZINC001234526040 1040101512 /nfs/dbraw/zinc/10/15/12/1040101512.db2.gz PGMASTHLXWQMQW-OXJNMPFZSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4O[C@H](c5nc(C)no5)CC[C@H]43)c2c1 ZINC001234536836 1040110230 /nfs/dbraw/zinc/11/02/30/1040110230.db2.gz SJEFOFZWFUKHCA-NRSPTQNISA-N 0 3 395.459 3.740 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4O[C@H](c5nc(C)no5)CC[C@H]43)c2c1 ZINC001234536836 1040110236 /nfs/dbraw/zinc/11/02/36/1040110236.db2.gz SJEFOFZWFUKHCA-NRSPTQNISA-N 0 3 395.459 3.740 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(c5ccsc5)C(=O)[C@H]4C3)c2c1 ZINC001234544050 1040114869 /nfs/dbraw/zinc/11/48/69/1040114869.db2.gz CXHBAJVYCUZKJP-KXBFYZLASA-N 0 3 394.496 3.710 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(c5ccsc5)C(=O)[C@H]4C3)c2c1 ZINC001234544050 1040114880 /nfs/dbraw/zinc/11/48/80/1040114880.db2.gz CXHBAJVYCUZKJP-KXBFYZLASA-N 0 3 394.496 3.710 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCN(CC5CC5)C4=O)CC3)c2c1 ZINC001234569711 1040136703 /nfs/dbraw/zinc/13/67/03/1040136703.db2.gz RDKBRCGMSHULGE-UHFFFAOYSA-N 0 3 394.515 3.779 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)N(C)C)cc1 ZINC001254602918 1040374500 /nfs/dbraw/zinc/37/45/00/1040374500.db2.gz BKBZSSKMXQNDQI-FDFHNCONSA-N 0 3 398.526 3.680 20 10 GHCDHN Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cccc(-c5ccccc5)c4[O-])C[C@H]3O2)n1 ZINC001234986628 1040483310 /nfs/dbraw/zinc/48/33/10/1040483310.db2.gz BJBTXXWYDJTIMO-IRFCIJBXSA-N 0 3 391.471 3.583 20 10 GHCDHN Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cccc(-c5ccccc5)c4[O-])C[C@H]3O2)n1 ZINC001234986628 1040483324 /nfs/dbraw/zinc/48/33/24/1040483324.db2.gz BJBTXXWYDJTIMO-IRFCIJBXSA-N 0 3 391.471 3.583 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@H]1O ZINC001234996918 1040492123 /nfs/dbraw/zinc/49/21/23/1040492123.db2.gz PVBDYNVJJDUPEV-WOJBJXKFSA-N 0 3 398.503 3.519 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC[C@H]1O ZINC001234996918 1040492134 /nfs/dbraw/zinc/49/21/34/1040492134.db2.gz PVBDYNVJJDUPEV-WOJBJXKFSA-N 0 3 398.503 3.519 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1)c1ccccn1 ZINC001234999658 1040494001 /nfs/dbraw/zinc/49/40/01/1040494001.db2.gz XTIMCVGJNNQLIK-UHFFFAOYSA-N 0 3 387.483 3.849 20 10 GHCDHN COc1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c([O-])c1Cl ZINC001235385273 1040905505 /nfs/dbraw/zinc/90/55/05/1040905505.db2.gz UNLSIXZGKQIVPC-PGRDOPGGSA-N 0 3 386.923 3.807 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CF)c2ccc(F)cc2)N(C)C)cc1 ZINC001235464862 1040950215 /nfs/dbraw/zinc/95/02/15/1040950215.db2.gz QRTVVIWOZPIKPD-PMACEKPBSA-N 0 3 390.478 3.504 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001235680606 1041143502 /nfs/dbraw/zinc/14/35/02/1041143502.db2.gz WJPYMEGVJASUCC-YKSBVNFPSA-N 0 3 396.531 3.750 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c([O-])c1 ZINC001235680606 1041143535 /nfs/dbraw/zinc/14/35/35/1041143535.db2.gz WJPYMEGVJASUCC-YKSBVNFPSA-N 0 3 396.531 3.750 20 10 GHCDHN C[C@@H](Cc1ccccn1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001256424305 1041728406 /nfs/dbraw/zinc/72/84/06/1041728406.db2.gz UGDYAQSRPWBCEV-FQEVSTJZSA-N 0 3 388.515 3.809 20 10 GHCDHN COc1cc(O)c(CN2CCC3(CC(=O)c4ccc(F)cc43)CC2)cc1OC ZINC001236749343 1041870913 /nfs/dbraw/zinc/87/09/13/1041870913.db2.gz GVTHZDYEESTJIR-UHFFFAOYSA-N 0 3 385.435 3.669 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001236785119 1041890710 /nfs/dbraw/zinc/89/07/10/1041890710.db2.gz FOIRIDNGRAUCDO-HSZRJFAPSA-N 0 3 382.479 3.718 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001236785119 1041890717 /nfs/dbraw/zinc/89/07/17/1041890717.db2.gz FOIRIDNGRAUCDO-HSZRJFAPSA-N 0 3 382.479 3.718 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001236785121 1041890784 /nfs/dbraw/zinc/89/07/84/1041890784.db2.gz FOIRIDNGRAUCDO-QHCPKHFHSA-N 0 3 382.479 3.718 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c([O-])c1 ZINC001236785121 1041890791 /nfs/dbraw/zinc/89/07/91/1041890791.db2.gz FOIRIDNGRAUCDO-QHCPKHFHSA-N 0 3 382.479 3.718 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001236788551 1041894382 /nfs/dbraw/zinc/89/43/82/1041894382.db2.gz LWNVLLPESSPADR-ZEQRLZLVSA-N 0 3 378.516 3.719 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c([O-])c1 ZINC001236788551 1041894388 /nfs/dbraw/zinc/89/43/88/1041894388.db2.gz LWNVLLPESSPADR-ZEQRLZLVSA-N 0 3 378.516 3.719 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809352 1041909775 /nfs/dbraw/zinc/90/97/75/1041909775.db2.gz VVBYXCPEJWEREN-YJBOKZPZSA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809352 1041909783 /nfs/dbraw/zinc/90/97/83/1041909783.db2.gz VVBYXCPEJWEREN-YJBOKZPZSA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236811257 1041911492 /nfs/dbraw/zinc/91/14/92/1041911492.db2.gz MWWZGYBNRRLENS-DEOSSOPVSA-N 0 3 392.499 3.610 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236811257 1041911494 /nfs/dbraw/zinc/91/14/94/1041911494.db2.gz MWWZGYBNRRLENS-DEOSSOPVSA-N 0 3 392.499 3.610 20 10 GHCDHN COc1cc(C)c(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)c([O-])c1 ZINC001236813509 1041912988 /nfs/dbraw/zinc/91/29/88/1041912988.db2.gz LKXMTFBNGJKBTK-UHFFFAOYSA-N 0 3 381.476 3.721 20 10 GHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001236826442 1041918686 /nfs/dbraw/zinc/91/86/86/1041918686.db2.gz JQTLDZVXOYHOSG-IBGZPJMESA-N 0 3 386.492 3.613 20 10 GHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001236826442 1041918690 /nfs/dbraw/zinc/91/86/90/1041918690.db2.gz JQTLDZVXOYHOSG-IBGZPJMESA-N 0 3 386.492 3.613 20 10 GHCDHN Cn1ccc(CN2CCCC23CC[NH+](Cc2cc4ccccc4cc2[O-])CC3)n1 ZINC001236832114 1041921336 /nfs/dbraw/zinc/92/13/36/1041921336.db2.gz KKDSBBYBJOMTFX-UHFFFAOYSA-N 0 3 390.531 3.910 20 10 GHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236836409 1041922742 /nfs/dbraw/zinc/92/27/42/1041922742.db2.gz IPLYHAOBRGWXHE-QHCPKHFHSA-N 0 3 376.500 3.878 20 10 GHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236836409 1041922745 /nfs/dbraw/zinc/92/27/45/1041922745.db2.gz IPLYHAOBRGWXHE-QHCPKHFHSA-N 0 3 376.500 3.878 20 10 GHCDHN CC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236846932 1041926303 /nfs/dbraw/zinc/92/63/03/1041926303.db2.gz GIQXIIPXLXWZMU-OAHLLOKOSA-N 0 3 376.497 3.754 20 10 GHCDHN CC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236846932 1041926305 /nfs/dbraw/zinc/92/63/05/1041926305.db2.gz GIQXIIPXLXWZMU-OAHLLOKOSA-N 0 3 376.497 3.754 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c([O-])c1 ZINC001237039642 1041999582 /nfs/dbraw/zinc/99/95/82/1041999582.db2.gz BFZGPXGBMRYWHR-JOCHJYFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c([O-])c1 ZINC001237039642 1041999585 /nfs/dbraw/zinc/99/95/85/1041999585.db2.gz BFZGPXGBMRYWHR-JOCHJYFZSA-N 0 3 384.451 3.559 20 10 GHCDHN CCOc1ccc(CN2CCN(c3ccc(-c4ncccn4)cc3)CC2)c(O)c1 ZINC001237046370 1042005485 /nfs/dbraw/zinc/00/54/85/1042005485.db2.gz BIPIBQAJHHOJAF-UHFFFAOYSA-N 0 3 390.487 3.570 20 10 GHCDHN CC(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237047960 1042006360 /nfs/dbraw/zinc/00/63/60/1042006360.db2.gz GOGOASNVHQTKPO-NRFANRHFSA-N 0 3 388.552 3.659 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237047690 1042006540 /nfs/dbraw/zinc/00/65/40/1042006540.db2.gz NOAKIRPMDGUYDU-OAQYLSRUSA-N 0 3 378.513 3.918 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237047690 1042006544 /nfs/dbraw/zinc/00/65/44/1042006544.db2.gz NOAKIRPMDGUYDU-OAQYLSRUSA-N 0 3 378.513 3.918 20 10 GHCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCN(c2ccc(F)cc2)CC1 ZINC001237050448 1042008691 /nfs/dbraw/zinc/00/86/91/1042008691.db2.gz BRIPFCCQVQORFJ-UHFFFAOYSA-N 0 3 384.373 3.795 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c([O-])c1 ZINC001237052223 1042010193 /nfs/dbraw/zinc/01/01/93/1042010193.db2.gz SAPXVARJWPYUBY-CTNGQTDRSA-N 0 3 382.479 3.745 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c([O-])c1 ZINC001237052223 1042010198 /nfs/dbraw/zinc/01/01/98/1042010198.db2.gz SAPXVARJWPYUBY-CTNGQTDRSA-N 0 3 382.479 3.745 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)NC3CCCC3)C[C@H]3OCC[C@H]32)c([O-])c1 ZINC001237051473 1042010325 /nfs/dbraw/zinc/01/03/25/1042010325.db2.gz LAGLALFFTKHQMJ-CZTZKLFOSA-N 0 3 386.536 3.554 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H](C(=O)NC3CCCC3)C[C@H]3OCC[C@H]32)c([O-])c1 ZINC001237051473 1042010330 /nfs/dbraw/zinc/01/03/30/1042010330.db2.gz LAGLALFFTKHQMJ-CZTZKLFOSA-N 0 3 386.536 3.554 20 10 GHCDHN Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064294 1042017161 /nfs/dbraw/zinc/01/71/61/1042017161.db2.gz ZSYZXYCMNAUUCZ-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064294 1042017169 /nfs/dbraw/zinc/01/71/69/1042017169.db2.gz ZSYZXYCMNAUUCZ-MRXNPFEDSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064293 1042017185 /nfs/dbraw/zinc/01/71/85/1042017185.db2.gz ZSYZXYCMNAUUCZ-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237064293 1042017188 /nfs/dbraw/zinc/01/71/88/1042017188.db2.gz ZSYZXYCMNAUUCZ-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN CCOC(=O)CCC1CC[NH+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237111964 1042044367 /nfs/dbraw/zinc/04/43/67/1042044367.db2.gz WJDSSSJPEIASHT-UHFFFAOYSA-N 0 3 375.387 3.846 20 10 GHCDHN CCOC(=O)CCC1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237111964 1042044371 /nfs/dbraw/zinc/04/43/71/1042044371.db2.gz WJDSSSJPEIASHT-UHFFFAOYSA-N 0 3 375.387 3.846 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1C ZINC001237125127 1042052556 /nfs/dbraw/zinc/05/25/56/1042052556.db2.gz JEDSJIZWJWPJAQ-OLZOCXBDSA-N 0 3 375.387 3.702 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@H]1C ZINC001237125127 1042052559 /nfs/dbraw/zinc/05/25/59/1042052559.db2.gz JEDSJIZWJWPJAQ-OLZOCXBDSA-N 0 3 375.387 3.702 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c1[O-] ZINC001237683709 1042324622 /nfs/dbraw/zinc/32/46/22/1042324622.db2.gz IVIPKZPTSUFGPD-RTBURBONSA-N 0 3 385.895 3.515 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c1[O-] ZINC001237683709 1042324629 /nfs/dbraw/zinc/32/46/29/1042324629.db2.gz IVIPKZPTSUFGPD-RTBURBONSA-N 0 3 385.895 3.515 20 10 GHCDHN Cc1cc(Cl)cc(CN2CC[C@H](Oc3ncc(Br)cn3)C2)c1O ZINC001237686765 1042327952 /nfs/dbraw/zinc/32/79/52/1042327952.db2.gz NLTREGVCZCYGIY-AWEZNQCLSA-N 0 3 398.688 3.560 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)c1[O-] ZINC001237686765 1042327958 /nfs/dbraw/zinc/32/79/58/1042327958.db2.gz NLTREGVCZCYGIY-AWEZNQCLSA-N 0 3 398.688 3.560 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)c1[O-] ZINC001237686765 1042327963 /nfs/dbraw/zinc/32/79/63/1042327963.db2.gz NLTREGVCZCYGIY-AWEZNQCLSA-N 0 3 398.688 3.560 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]CCc2cccc3c2OCCO3)c1[O-] ZINC001462605745 1070408932 /nfs/dbraw/zinc/40/89/32/1070408932.db2.gz QXMICPMSLPFKET-UHFFFAOYSA-N 0 3 378.266 3.567 20 10 GHCDHN CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cc(F)cc(C)c3[O-])CC2)c2ccccc21 ZINC001238060580 1042478944 /nfs/dbraw/zinc/47/89/44/1042478944.db2.gz JJPOIEYHTQGOIM-KRWDZBQOSA-N 0 3 396.506 3.997 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c1[O-] ZINC001238062785 1042479942 /nfs/dbraw/zinc/47/99/42/1042479942.db2.gz WXDBSIZBKRLRDK-HSZRJFAPSA-N 0 3 382.479 3.986 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)c1[O-] ZINC001238062785 1042479945 /nfs/dbraw/zinc/47/99/45/1042479945.db2.gz WXDBSIZBKRLRDK-HSZRJFAPSA-N 0 3 382.479 3.986 20 10 GHCDHN Cc1cc(F)cc(CN2CC(c3ncn4cc(Br)ccc34)C2)c1O ZINC001238069438 1042480941 /nfs/dbraw/zinc/48/09/41/1042480941.db2.gz ILJYTICJACMDMW-UHFFFAOYSA-N 0 3 390.256 3.849 20 10 GHCDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000744401716 1045666380 /nfs/dbraw/zinc/66/63/80/1045666380.db2.gz YDUIDLNJQZQMEZ-UHFFFAOYSA-N 0 3 383.448 3.992 20 10 GHCDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000744401716 1045666383 /nfs/dbraw/zinc/66/63/83/1045666383.db2.gz YDUIDLNJQZQMEZ-UHFFFAOYSA-N 0 3 383.448 3.992 20 10 GHCDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000744401716 1045666396 /nfs/dbraw/zinc/66/63/96/1045666396.db2.gz YDUIDLNJQZQMEZ-UHFFFAOYSA-N 0 3 383.448 3.992 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001279674709 1047909773 /nfs/dbraw/zinc/90/97/73/1047909773.db2.gz MTAVNCBATQJKQJ-LJQANCHMSA-N 0 3 395.334 3.910 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001279674709 1047909778 /nfs/dbraw/zinc/90/97/78/1047909778.db2.gz MTAVNCBATQJKQJ-LJQANCHMSA-N 0 3 395.334 3.910 20 10 GHCDHN Cc1cc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c([O-])cc1Br ZINC001279826186 1047962457 /nfs/dbraw/zinc/96/24/57/1047962457.db2.gz MYZNRDQFLIUPJA-UHFFFAOYSA-N 0 3 379.342 3.913 20 10 GHCDHN Cc1cc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c([O-])cc1Br ZINC001279826186 1047962460 /nfs/dbraw/zinc/96/24/60/1047962460.db2.gz MYZNRDQFLIUPJA-UHFFFAOYSA-N 0 3 379.342 3.913 20 10 GHCDHN CC[C@H](OC1CCCCC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463282677 1070961587 /nfs/dbraw/zinc/96/15/87/1070961587.db2.gz OZZUXTNPFDVEQM-SFTDATJTSA-N 0 3 375.557 3.599 20 10 GHCDHN Cc1ccc(OCCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001289600272 1049555661 /nfs/dbraw/zinc/55/56/61/1049555661.db2.gz OWOIJMGQCQJJEG-OAQYLSRUSA-N 0 3 383.536 3.557 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(Sc3ccccc3)CC2)N(C)C)cc1 ZINC001289600259 1049555761 /nfs/dbraw/zinc/55/57/61/1049555761.db2.gz OKILVWNDABDPJK-HXUWFJFHSA-N 0 3 383.561 3.796 20 10 GHCDHN CC(C)O[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001289601914 1049557450 /nfs/dbraw/zinc/55/74/50/1049557450.db2.gz GCCRLBLTGHHPGH-YADHBBJMSA-N 0 3 383.536 3.638 20 10 GHCDHN COc1cc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC001308553065 1050007015 /nfs/dbraw/zinc/00/70/15/1050007015.db2.gz YUGHPLDLTAFJBK-FYCOFBDGSA-N 0 3 388.533 3.529 20 10 GHCDHN COc1ccc(N(C)CCN(C)Cc2cn(C)nc2-c2ccc(F)cc2)cc1 ZINC001308848928 1050122012 /nfs/dbraw/zinc/12/20/12/1050122012.db2.gz JWZTVDWOZWNZRG-UHFFFAOYSA-N 0 3 382.483 3.803 20 10 GHCDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001310436257 1051356251 /nfs/dbraw/zinc/35/62/51/1051356251.db2.gz UGVBDVLMMHQBLB-IBGZPJMESA-N 0 3 399.495 3.702 20 10 GHCDHN COc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F ZINC001335699781 1052153119 /nfs/dbraw/zinc/15/31/19/1052153119.db2.gz RLXZAPCCPMQZMS-UHFFFAOYSA-N 0 3 398.400 3.980 20 10 GHCDHN CSc1ccc([C@H](CNC(=O)NCc2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001311545303 1052235267 /nfs/dbraw/zinc/23/52/67/1052235267.db2.gz KTGPKIOKKQMAMC-FQEVSTJZSA-N 0 3 386.565 3.577 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001311989992 1052517428 /nfs/dbraw/zinc/51/74/28/1052517428.db2.gz UVGDLUYNTRTZKJ-WOJBJXKFSA-N 0 3 396.579 3.812 20 10 GHCDHN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001312952878 1052919787 /nfs/dbraw/zinc/91/97/87/1052919787.db2.gz KWUWMFWRWUPHBQ-YADHBBJMSA-N 0 3 380.536 3.650 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001313117573 1052961165 /nfs/dbraw/zinc/96/11/65/1052961165.db2.gz QJMAJVFGUWMEID-JOCHJYFZSA-N 0 3 384.568 3.835 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](C3CCCCC3)C2)N(C)C)cc1 ZINC001313410071 1053045528 /nfs/dbraw/zinc/04/55/28/1053045528.db2.gz DLEBHJCHNMIAFA-IFMALSPDSA-N 0 3 386.584 3.967 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](C3CCCCC3)C2)N(C)C)cc1 ZINC001313410081 1053045570 /nfs/dbraw/zinc/04/55/70/1053045570.db2.gz DLEBHJCHNMIAFA-UNMCSNQZSA-N 0 3 386.584 3.967 20 10 GHCDHN CCN1C[C@@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC001313859895 1053257914 /nfs/dbraw/zinc/25/79/14/1053257914.db2.gz LWLJGUUYSDDCKT-RTBURBONSA-N 0 3 398.599 3.743 20 10 GHCDHN CCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001319133992 1055054589 /nfs/dbraw/zinc/05/45/89/1055054589.db2.gz QOPCDOYAEWEKIE-APWZRJJASA-N 0 3 395.494 3.638 20 10 GHCDHN Cc1nc(C)c([C@H](C)N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001319822309 1055489513 /nfs/dbraw/zinc/48/95/13/1055489513.db2.gz BJPGJFDFUYZTBL-HNNXBMFYSA-N 0 3 376.545 3.844 20 10 GHCDHN CCCCCn1cc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c(C)n1 ZINC001319906099 1055534550 /nfs/dbraw/zinc/53/45/50/1055534550.db2.gz OXNJVLVCFYFWCW-UHFFFAOYSA-N 0 3 387.547 3.562 20 10 GHCDHN Cc1ccc(C)n1C1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001320494278 1055838426 /nfs/dbraw/zinc/83/84/26/1055838426.db2.gz PYVLSDDBYOZGCC-UHFFFAOYSA-N 0 3 384.543 3.833 20 10 GHCDHN C[C@H](NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC001322629376 1056776429 /nfs/dbraw/zinc/77/64/29/1056776429.db2.gz MCLXDWOJBQYSIA-INIZCTEOSA-N 0 3 397.494 3.862 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000848514386 1057142184 /nfs/dbraw/zinc/14/21/84/1057142184.db2.gz NAUCJCPPNFBNSK-RISCZKNCSA-N 0 3 383.286 3.710 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000848514387 1057142379 /nfs/dbraw/zinc/14/23/79/1057142379.db2.gz NAUCJCPPNFBNSK-SMDDNHRTSA-N 0 3 383.286 3.710 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1[O-] ZINC000848523784 1057148415 /nfs/dbraw/zinc/14/84/15/1057148415.db2.gz MVVJSEZBTGMSIK-NHYWBVRUSA-N 0 3 396.281 3.556 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1[O-] ZINC000848530370 1057151996 /nfs/dbraw/zinc/15/19/96/1057151996.db2.gz ZPHOQSVBAQGXEM-WDEREUQCSA-N 0 3 396.329 3.795 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1[O-] ZINC000848536452 1057157182 /nfs/dbraw/zinc/15/71/82/1057157182.db2.gz SHFCGVJDYCGRDZ-BLLLJJGKSA-N 0 3 380.282 3.856 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848562911 1057181041 /nfs/dbraw/zinc/18/10/41/1057181041.db2.gz MFHXJXLEHJYWMH-MNOVXSKESA-N 0 3 388.302 3.792 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848569173 1057184543 /nfs/dbraw/zinc/18/45/43/1057184543.db2.gz WINMKMQVGPTKHE-APHBMKBZSA-N 0 3 383.330 3.831 20 10 GHCDHN COc1ccc(NC(=[NH2+])NCc2cc(Br)ccc2[O-])cc1Cl ZINC000849051970 1057560652 /nfs/dbraw/zinc/56/06/52/1057560652.db2.gz KXYQDMLWMHBVPD-UHFFFAOYSA-N 0 3 384.661 3.953 20 10 GHCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1CC1CC1 ZINC001456927006 1062921004 /nfs/dbraw/zinc/92/10/04/1062921004.db2.gz ACNUBQNMXNPVGA-JOCHJYFZSA-N 0 3 382.552 3.614 20 10 GHCDHN COc1cc(C)cc(CN[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1O ZINC001353585634 1066062196 /nfs/dbraw/zinc/06/21/96/1066062196.db2.gz ZSBCTJPAZXIFDH-HNNXBMFYSA-N 0 3 388.483 3.660 20 10 GHCDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001469853477 1068430355 /nfs/dbraw/zinc/43/03/55/1068430355.db2.gz JJWHXKVDCOUOHM-WOJBJXKFSA-N 0 3 394.563 3.977 20 10 GHCDHN C[C@H](CCCC(F)(F)F)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001470077417 1068558635 /nfs/dbraw/zinc/55/86/35/1068558635.db2.gz FGZCDTIZZRIKMR-PBHICJAKSA-N 0 3 388.478 3.776 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCc3c(F)cccc32)N(C)C)cc1 ZINC001470360477 1068699851 /nfs/dbraw/zinc/69/98/51/1068699851.db2.gz AGUSASVWFJAPBO-FCHUYYIVSA-N 0 3 398.526 3.871 20 10 GHCDHN CCN(Cc1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001479534259 1079224607 /nfs/dbraw/zinc/22/46/07/1079224607.db2.gz LBTNUSXCXCJDFU-JOCHJYFZSA-N 0 3 382.552 3.895 20 10 GHCDHN CCc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(C)CC3)c(F)c1)CCO2 ZINC001474105091 1074265287 /nfs/dbraw/zinc/26/52/87/1074265287.db2.gz QDMBCCRUYUHXCA-NRFANRHFSA-N 0 3 383.511 3.753 20 10 GHCDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000180917661 837703751 /nfs/dbraw/zinc/70/37/51/837703751.db2.gz AAXOZIVNUSTYAN-FGZHOGPDSA-N 0 3 381.520 3.603 20 10 GHCDHN COc1ccc(CNc2cccc(CN3CCSCC3)c2C)c(O)c1OC ZINC000892355736 834985478 /nfs/dbraw/zinc/98/54/78/834985478.db2.gz NPYQXFAGKNIQIQ-UHFFFAOYSA-N 0 3 388.533 3.879 20 10 GHCDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000155367819 836890795 /nfs/dbraw/zinc/89/07/95/836890795.db2.gz TXCSRWAVDJJFOE-LLGFUMIMSA-N 0 3 382.504 3.883 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2C(F)(F)F)N(C)C)cc1 ZINC000891245942 839304776 /nfs/dbraw/zinc/30/47/76/839304776.db2.gz KMJCFCMGDLHJQT-OAHLLOKOSA-N 0 3 385.455 3.866 20 10 GHCDHN Cc1c(NC(=O)C(C)(C)C)ccnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167426206 839928119 /nfs/dbraw/zinc/92/81/19/839928119.db2.gz BPVUGJSVDSEOLT-UHFFFAOYSA-N 0 3 395.551 3.739 20 10 GHCDHN COc1cccc2c1CCC[C@@H]2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000194862973 840362181 /nfs/dbraw/zinc/36/21/81/840362181.db2.gz OZQBKLZPYHCZBB-NRFANRHFSA-N 0 3 384.495 3.963 20 10 GHCDHN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)cc1 ZINC000123186225 841676314 /nfs/dbraw/zinc/67/63/14/841676314.db2.gz NSLICBGGHVUWIQ-UHFFFAOYSA-N 0 3 383.511 3.729 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000053540801 841747878 /nfs/dbraw/zinc/74/78/78/841747878.db2.gz PVOKSAWHEXEVBL-JOCHJYFZSA-N 0 3 380.536 3.731 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)N3CCN(C4CCCC4)CC3)cc2)CC1 ZINC000731120839 861465703 /nfs/dbraw/zinc/46/57/03/861465703.db2.gz FGBSLYVOIBWOTI-UHFFFAOYSA-N 0 3 384.568 3.693 20 10 GHCDHN OCC1CCN(c2ccc(CNCc3ccnn3-c3ccc(F)cc3)cc2)CC1 ZINC000279996919 846260913 /nfs/dbraw/zinc/26/09/13/846260913.db2.gz RMSXXIZRDUHDLU-UHFFFAOYSA-N 0 3 394.494 3.510 20 10 GHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000481557961 861710668 /nfs/dbraw/zinc/71/06/68/861710668.db2.gz BTVVLPIEHMOZOV-KRWDZBQOSA-N 0 3 389.421 3.692 20 10 GHCDHN COc1cc(Cl)cc(CN[C@H](CO)c2ccc(Br)cc2)c1O ZINC000273689866 847409081 /nfs/dbraw/zinc/40/90/81/847409081.db2.gz BFQHWZFIOZQOEY-CQSZACIVSA-N 0 3 386.673 3.640 20 10 GHCDHN CN(C)S(=O)(=O)c1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848345 861905240 /nfs/dbraw/zinc/90/52/40/861905240.db2.gz XBHCRYRSBMUWTG-UHFFFAOYSA-N 0 3 388.533 3.587 20 10 GHCDHN CN(C)S(=O)(=O)c1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731848345 861905252 /nfs/dbraw/zinc/90/52/52/861905252.db2.gz XBHCRYRSBMUWTG-UHFFFAOYSA-N 0 3 388.533 3.587 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000120965663 848672094 /nfs/dbraw/zinc/67/20/94/848672094.db2.gz SCGWZWJQKCQZSM-UHFFFAOYSA-N 0 3 377.488 3.895 20 10 GHCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)CCC2 ZINC000732182089 862125525 /nfs/dbraw/zinc/12/55/25/862125525.db2.gz QHBCZCCVBVRQLK-UHFFFAOYSA-N 0 3 375.415 3.724 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)c([O-])c1 ZINC000760030322 854006713 /nfs/dbraw/zinc/00/67/13/854006713.db2.gz BONONCUZXGIOOZ-LSDHHAIUSA-N 0 3 378.310 3.965 20 10 GHCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc2c(c1)CCO2 ZINC000054175787 855575616 /nfs/dbraw/zinc/57/56/16/855575616.db2.gz PIFYMTCFJYNOOT-UHFFFAOYSA-N 0 3 392.421 3.767 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000765295326 859894154 /nfs/dbraw/zinc/89/41/54/859894154.db2.gz COCSSTPBRWUICH-LJQANCHMSA-N 0 3 390.531 3.932 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000727441450 860082277 /nfs/dbraw/zinc/08/22/77/860082277.db2.gz YHNZXTAYNOKFSH-JOCHJYFZSA-N 0 3 379.548 3.981 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000921544658 860277114 /nfs/dbraw/zinc/27/71/14/860277114.db2.gz CJHFIMXZKNNPCV-MRXNPFEDSA-N 0 3 380.488 3.520 20 10 GHCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)c([O-])c1 ZINC000922791566 860597228 /nfs/dbraw/zinc/59/72/28/860597228.db2.gz PCTMRHRBFLOQMO-OJCRERRGSA-N 0 3 391.508 3.550 20 10 GHCDHN CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102176 865280059 /nfs/dbraw/zinc/28/00/59/865280059.db2.gz NOCFMIZHJRXFGC-LEWJYISDSA-N 0 3 383.540 3.543 20 10 GHCDHN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000857061354 881976110 /nfs/dbraw/zinc/97/61/10/881976110.db2.gz OTUGFNGWJSEBHU-QHCPKHFHSA-N 0 3 377.488 3.738 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC000793299172 882080450 /nfs/dbraw/zinc/08/04/50/882080450.db2.gz QXXUZPUEQAPTBA-LJQANCHMSA-N 0 3 398.503 3.929 20 10 GHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c([O-])c1 ZINC000793299172 882080465 /nfs/dbraw/zinc/08/04/65/882080465.db2.gz QXXUZPUEQAPTBA-LJQANCHMSA-N 0 3 398.503 3.929 20 10 GHCDHN COc1ccc(N2CCC(NCc3ccn(Cc4ccccc4)n3)CC2)cc1 ZINC000793567961 882276040 /nfs/dbraw/zinc/27/60/40/882276040.db2.gz MWPWRZXTOIKSIJ-UHFFFAOYSA-N 0 3 376.504 3.699 20 10 GHCDHN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182436696 872344047 /nfs/dbraw/zinc/34/40/47/872344047.db2.gz BMGUSBBRBSDXJZ-HNAYVOBHSA-N 0 3 386.492 3.718 20 10 GHCDHN COc1cccc(C[N@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000768355777 873253948 /nfs/dbraw/zinc/25/39/48/873253948.db2.gz RALMXUNXJSQAHD-UHFFFAOYSA-N 0 3 376.497 3.765 20 10 GHCDHN COc1cccc(C[N@@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000768355777 873253958 /nfs/dbraw/zinc/25/39/58/873253958.db2.gz RALMXUNXJSQAHD-UHFFFAOYSA-N 0 3 376.497 3.765 20 10 GHCDHN CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775731094 873270492 /nfs/dbraw/zinc/27/04/92/873270492.db2.gz HWWPCYGWYOBXDT-HSZRJFAPSA-N 0 3 395.547 3.565 20 10 GHCDHN Oc1cc2c(cc1CN1CCN(c3ncnc4ccsc43)CC1)CCCC2 ZINC000768445214 873309086 /nfs/dbraw/zinc/30/90/86/873309086.db2.gz GKXRWTGBOSSSFT-UHFFFAOYSA-N 0 3 380.517 3.598 20 10 GHCDHN O=C(Oc1ccccc1)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768448864 873311595 /nfs/dbraw/zinc/31/15/95/873311595.db2.gz YALSKNVTMZPBHD-UHFFFAOYSA-N 0 3 380.488 3.978 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc3c(c1)OCO3)C1CCCCC1)[C@H](O)CO2 ZINC000768453319 873312304 /nfs/dbraw/zinc/31/23/04/873312304.db2.gz VGHDCHVDALGENJ-HXUWFJFHSA-N 0 3 397.471 3.882 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C1CCCCC1)[C@H](O)CO2 ZINC000768453319 873312324 /nfs/dbraw/zinc/31/23/24/873312324.db2.gz VGHDCHVDALGENJ-HXUWFJFHSA-N 0 3 397.471 3.882 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)NCc2ccccc2Cl)CC1 ZINC001196850226 873396709 /nfs/dbraw/zinc/39/67/09/873396709.db2.gz MEBVDPJVDHBJPX-UHFFFAOYSA-N 0 3 389.952 3.674 20 10 GHCDHN CCOc1ccc(O)c(CN2CCC(Oc3c(OC)cccc3OC)CC2)c1 ZINC000768908883 873677199 /nfs/dbraw/zinc/67/71/99/873677199.db2.gz GWRFFJCAQMKZMP-UHFFFAOYSA-N 0 3 387.476 3.852 20 10 GHCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000768949064 873708400 /nfs/dbraw/zinc/70/84/00/873708400.db2.gz CKQNYHGFFYNXHZ-UTKZUKDTSA-N 0 3 399.535 3.918 20 10 GHCDHN COc1cccc([O-])c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000769105305 873812839 /nfs/dbraw/zinc/81/28/39/873812839.db2.gz OBUZOUIYBQUAEY-XYPWUTKMSA-N 0 3 376.497 3.763 20 10 GHCDHN COc1cccc([O-])c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000769105305 873812854 /nfs/dbraw/zinc/81/28/54/873812854.db2.gz OBUZOUIYBQUAEY-XYPWUTKMSA-N 0 3 376.497 3.763 20 10 GHCDHN Fc1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)ccc1N1CCOCC1 ZINC000769544091 874147956 /nfs/dbraw/zinc/14/79/56/874147956.db2.gz SUBHFZFVWCJZPI-JOCHJYFZSA-N 0 3 398.522 3.886 20 10 GHCDHN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834992 874328836 /nfs/dbraw/zinc/32/88/36/874328836.db2.gz XRUFHUVJCDMJTQ-KRWDZBQOSA-N 0 3 396.535 3.524 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)CC1 ZINC000770143046 874494998 /nfs/dbraw/zinc/49/49/98/874494998.db2.gz IPRCXUIMGAMSPY-UHFFFAOYSA-N 0 3 388.855 3.642 20 10 GHCDHN COc1c(Cl)cccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001198985299 874738253 /nfs/dbraw/zinc/73/82/53/874738253.db2.gz NABPQFHUTAGLHU-SFHVURJKSA-N 0 3 390.915 3.839 20 10 GHCDHN C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000776328761 876274635 /nfs/dbraw/zinc/27/46/35/876274635.db2.gz ZROBDQSIXPCFAH-UHFFFAOYSA-N 0 3 376.456 3.756 20 10 GHCDHN CC(=O)NCc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000850342481 876830829 /nfs/dbraw/zinc/83/08/29/876830829.db2.gz KNEBFGQVJXKEQM-UHFFFAOYSA-N 0 3 396.491 3.511 20 10 GHCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 ZINC000850368975 876856581 /nfs/dbraw/zinc/85/65/81/876856581.db2.gz QVEWCZJGAAIDQZ-NQIIRXRSSA-N 0 3 386.561 3.768 20 10 GHCDHN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850405756 876886891 /nfs/dbraw/zinc/88/68/91/876886891.db2.gz CHIYECZYSOHFSV-UHFFFAOYSA-N 0 3 390.531 3.740 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)cc1)CCC2 ZINC000850568428 877035789 /nfs/dbraw/zinc/03/57/89/877035789.db2.gz XKBOWUKDSCKAIP-QFIPXVFZSA-N 0 3 381.476 3.723 20 10 GHCDHN O=C(c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1)N1CCCC1 ZINC000109762013 877423813 /nfs/dbraw/zinc/42/38/13/877423813.db2.gz WMQWFLDHMKHFJV-JOCHJYFZSA-N 0 3 394.515 3.809 20 10 GHCDHN O=C(c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1)N1CCCC1 ZINC000109762013 877423822 /nfs/dbraw/zinc/42/38/22/877423822.db2.gz WMQWFLDHMKHFJV-JOCHJYFZSA-N 0 3 394.515 3.809 20 10 GHCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746724603 877799868 /nfs/dbraw/zinc/79/98/68/877799868.db2.gz QAJGBQGCMVQQHW-XMSQKQJNSA-N 0 3 392.547 3.704 20 10 GHCDHN O=C(Nc1cccc(CNCc2cc3c(cc2O)OCO3)c1)c1cccc(F)c1 ZINC000238134788 878795570 /nfs/dbraw/zinc/79/55/70/878795570.db2.gz LRQMBFKSFYHAJV-UHFFFAOYSA-N 0 3 394.402 3.802 20 10 GHCDHN COc1ccc(N2CCCN(Cc3ccc(C(C)C)cc(=O)c3O)CC2)cc1 ZINC000853491456 879059360 /nfs/dbraw/zinc/05/93/60/879059360.db2.gz SCYCGYLQNAWZQX-UHFFFAOYSA-N 0 3 382.504 3.597 20 10 GHCDHN COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1ccccc1[O-] ZINC000792188499 880976195 /nfs/dbraw/zinc/97/61/95/880976195.db2.gz WNMZAFMHEPCPCC-UHFFFAOYSA-N 0 3 378.266 3.720 20 10 GHCDHN COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cc1ccccc1[O-] ZINC000792188499 880976201 /nfs/dbraw/zinc/97/62/01/880976201.db2.gz WNMZAFMHEPCPCC-UHFFFAOYSA-N 0 3 378.266 3.720 20 10 GHCDHN O=C(NCCCSc1nccs1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000114139716 881151069 /nfs/dbraw/zinc/15/10/69/881151069.db2.gz MRZPOZQDBQRZAF-MRXNPFEDSA-N 0 3 393.553 3.793 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000858531966 883178523 /nfs/dbraw/zinc/17/85/23/883178523.db2.gz GAJCZSGYHJMRJK-UKRRQHHQSA-N 0 3 382.476 3.601 20 10 GHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807621416 885575772 /nfs/dbraw/zinc/57/57/72/885575772.db2.gz YRUHJRZAVMTNTN-GHTZIAJQSA-N 0 3 381.520 3.977 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795933156 913014141 /nfs/dbraw/zinc/01/41/41/913014141.db2.gz GLLCTLKDCUKSNY-IBGZPJMESA-N 0 3 394.943 3.533 20 10 GHCDHN Cc1cnccc1OC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862349877 886308473 /nfs/dbraw/zinc/30/84/73/886308473.db2.gz VYKNUTOVWJMRPM-UHFFFAOYSA-N 0 3 377.282 3.902 20 10 GHCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762648107 886615143 /nfs/dbraw/zinc/61/51/43/886615143.db2.gz GYRAIGCHOWSUOQ-RHSMWYFYSA-N 0 3 385.346 3.696 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(Cl)nc3)cc2F)CC1 ZINC000179123125 886695502 /nfs/dbraw/zinc/69/55/02/886695502.db2.gz JSFIZZGSZYTXQR-HNNXBMFYSA-N 0 3 376.907 3.867 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1[O-] ZINC000808716770 886700679 /nfs/dbraw/zinc/70/06/79/886700679.db2.gz VKZPETLNTLAPMU-SCLBCKFNSA-N 0 3 376.859 3.945 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1[O-] ZINC000808697607 886717664 /nfs/dbraw/zinc/71/76/64/886717664.db2.gz OSALSOIHUTUBCC-MDKPJZGXSA-N 0 3 388.939 3.888 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1[O-] ZINC001184314188 913122328 /nfs/dbraw/zinc/12/23/28/913122328.db2.gz HZACOQGHOMFNJW-OAHLLOKOSA-N 0 3 382.888 3.543 20 10 GHCDHN C[C@H]1OCC[C@@]12C[N@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670284 887716264 /nfs/dbraw/zinc/71/62/64/887716264.db2.gz VZIRMYXYEDBFAT-BFUOFWGJSA-N 0 3 392.293 3.688 20 10 GHCDHN C[C@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])ccc3cc(Br)ccc31)CCO2 ZINC000794670284 887716275 /nfs/dbraw/zinc/71/62/75/887716275.db2.gz VZIRMYXYEDBFAT-BFUOFWGJSA-N 0 3 392.293 3.688 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1[O-] ZINC000809718041 887740352 /nfs/dbraw/zinc/74/03/52/887740352.db2.gz FAOWFOYTFHNOMR-QFIPXVFZSA-N 0 3 382.323 3.631 20 10 GHCDHN CC(C)OC(=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000809763061 887804862 /nfs/dbraw/zinc/80/48/62/887804862.db2.gz ISRQSNXVUGBFMQ-JOCHJYFZSA-N 0 3 382.504 3.696 20 10 GHCDHN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@]2(CCCOC2)O1 ZINC000796036449 913193346 /nfs/dbraw/zinc/19/33/46/913193346.db2.gz MXYSRDBIAZPPDB-FDDCHVKYSA-N 0 3 383.488 3.741 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000811512316 889704830 /nfs/dbraw/zinc/70/48/30/889704830.db2.gz LSIIZWOFVKVAQA-HKUYNNGSSA-N 0 3 376.294 3.719 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811801231 889983275 /nfs/dbraw/zinc/98/32/75/889983275.db2.gz GTXCWDCKVRARKK-OAHLLOKOSA-N 0 3 385.851 3.629 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811801231 889983289 /nfs/dbraw/zinc/98/32/89/889983289.db2.gz GTXCWDCKVRARKK-OAHLLOKOSA-N 0 3 385.851 3.629 20 10 GHCDHN CCOc1cc(CNCc2ccc(OC)c(Cn3cccn3)c2)ccc1OC ZINC000873050832 891444841 /nfs/dbraw/zinc/44/48/41/891444841.db2.gz UHILQWMKAWJMQZ-UHFFFAOYSA-N 0 3 381.476 3.637 20 10 GHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000877179149 893523707 /nfs/dbraw/zinc/52/37/07/893523707.db2.gz MAOIKSRGWZDHJF-GOSISDBHSA-N 0 3 382.508 3.932 20 10 GHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000877179149 893523725 /nfs/dbraw/zinc/52/37/25/893523725.db2.gz MAOIKSRGWZDHJF-GOSISDBHSA-N 0 3 382.508 3.932 20 10 GHCDHN OC1CCN(c2ccc(CNCc3ccc4ccc(F)c(F)c4n3)cc2)CC1 ZINC000877636791 893735812 /nfs/dbraw/zinc/73/58/12/893735812.db2.gz ILFUOHWSJCLKKE-UHFFFAOYSA-N 0 3 383.442 3.764 20 10 GHCDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757206 893793550 /nfs/dbraw/zinc/79/35/50/893793550.db2.gz NUBNTYBYBRISOX-CABCVRRESA-N 0 3 381.476 3.809 20 10 GHCDHN C[C@@H]([NH2+]CCCNC1CC1)c1cc(Br)cc(Br)c1[O-] ZINC000817983592 895991748 /nfs/dbraw/zinc/99/17/48/895991748.db2.gz GXVCTVLWCCTREO-SECBINFHSA-N 0 3 392.135 3.710 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3cc(O)ccc3Br)C2)cc1 ZINC000818220133 896084405 /nfs/dbraw/zinc/08/44/05/896084405.db2.gz FQSRITFIAZXEBS-AWEZNQCLSA-N 0 3 391.309 3.779 20 10 GHCDHN CN(C)C(=O)C1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000042912548 898011268 /nfs/dbraw/zinc/01/12/68/898011268.db2.gz KPNJFEHUPVWZOM-UHFFFAOYSA-N 0 3 391.309 3.608 20 10 GHCDHN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCc1ccco1 ZINC000824091101 899390387 /nfs/dbraw/zinc/39/03/87/899390387.db2.gz AVBOPLOAMFSCTP-MRXNPFEDSA-N 0 3 383.517 3.772 20 10 GHCDHN COC[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000824507247 899674940 /nfs/dbraw/zinc/67/49/40/899674940.db2.gz FVFYVRLLRKHEFX-XMSQKQJNSA-N 0 3 385.504 3.987 20 10 GHCDHN COC[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000824507247 899674948 /nfs/dbraw/zinc/67/49/48/899674948.db2.gz FVFYVRLLRKHEFX-XMSQKQJNSA-N 0 3 385.504 3.987 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CCCO1 ZINC000824508780 899679077 /nfs/dbraw/zinc/67/90/77/899679077.db2.gz UIIFLESQVGDELJ-FGZHOGPDSA-N 0 3 383.488 3.741 20 10 GHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CCCO1 ZINC000824508780 899679081 /nfs/dbraw/zinc/67/90/81/899679081.db2.gz UIIFLESQVGDELJ-FGZHOGPDSA-N 0 3 383.488 3.741 20 10 GHCDHN COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c(OC)c1 ZINC000824733096 899791632 /nfs/dbraw/zinc/79/16/32/899791632.db2.gz HNNNWYCPYAASIV-GFCCVEGCSA-N 0 3 395.883 3.801 20 10 GHCDHN CCOc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000137265837 900846939 /nfs/dbraw/zinc/84/69/39/900846939.db2.gz SDBFDPDXDSBCGZ-OAQYLSRUSA-N 0 3 398.503 3.801 20 10 GHCDHN CCOc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000137265837 900846945 /nfs/dbraw/zinc/84/69/45/900846945.db2.gz SDBFDPDXDSBCGZ-OAQYLSRUSA-N 0 3 398.503 3.801 20 10 GHCDHN CCOc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000137265777 900846982 /nfs/dbraw/zinc/84/69/82/900846982.db2.gz SDBFDPDXDSBCGZ-NRFANRHFSA-N 0 3 398.503 3.801 20 10 GHCDHN CCOc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000137265777 900846988 /nfs/dbraw/zinc/84/69/88/900846988.db2.gz SDBFDPDXDSBCGZ-NRFANRHFSA-N 0 3 398.503 3.801 20 10 GHCDHN CC(C)(C)Oc1cccc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886325095 900933030 /nfs/dbraw/zinc/93/30/30/900933030.db2.gz TYFFVJLPSBZMCI-UHFFFAOYSA-N 0 3 395.547 3.855 20 10 GHCDHN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000128783152 902716434 /nfs/dbraw/zinc/71/64/34/902716434.db2.gz NHLJGPGLNOXNIA-MRXNPFEDSA-N 0 3 385.483 3.531 20 10 GHCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC000846160608 902731347 /nfs/dbraw/zinc/73/13/47/902731347.db2.gz UGMZFLSEQRBVSH-BDJLRTHQSA-N 0 3 378.831 3.649 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000779023060 903063782 /nfs/dbraw/zinc/06/37/82/903063782.db2.gz BYUSVSKVZPGHDT-KCQAQPDRSA-N 0 3 383.330 3.761 20 10 GHCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-] ZINC000151530829 904150229 /nfs/dbraw/zinc/15/02/29/904150229.db2.gz UXLJYKPFOWUQTA-HNNXBMFYSA-N 0 3 387.455 3.854 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000151578841 904160511 /nfs/dbraw/zinc/16/05/11/904160511.db2.gz SXKCPAWDDGLNPO-QGZVFWFLSA-N 0 3 382.504 3.517 20 10 GHCDHN CC[C@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000773038934 904394664 /nfs/dbraw/zinc/39/46/64/904394664.db2.gz KUZIVRAOZRRNDV-VXKWHMMOSA-N 0 3 397.519 3.616 20 10 GHCDHN CC[C@@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000773038935 904395119 /nfs/dbraw/zinc/39/51/19/904395119.db2.gz KUZIVRAOZRRNDV-YADHBBJMSA-N 0 3 397.519 3.616 20 10 GHCDHN C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773181894 904533215 /nfs/dbraw/zinc/53/32/15/904533215.db2.gz BEXSNADMRWHFNQ-GOSISDBHSA-N 0 3 380.536 3.561 20 10 GHCDHN O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])CC[C@H]2C1 ZINC001172516396 905611019 /nfs/dbraw/zinc/61/10/19/905611019.db2.gz WDXSOKCRGZMXHV-YSIASYRMSA-N 0 3 380.488 3.518 20 10 GHCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)c1ccccc1[O-] ZINC001175418586 907542092 /nfs/dbraw/zinc/54/20/92/907542092.db2.gz LUPNQYXVIBYALF-CABCVRRESA-N 0 3 376.884 3.622 20 10 GHCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000284967108 912098312 /nfs/dbraw/zinc/09/83/12/912098312.db2.gz ICTHEWNLVVBITH-GFCCVEGCSA-N 0 3 383.897 3.699 20 10 GHCDHN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000284967108 912098328 /nfs/dbraw/zinc/09/83/28/912098328.db2.gz ICTHEWNLVVBITH-GFCCVEGCSA-N 0 3 383.897 3.699 20 10 GHCDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303707609 915068370 /nfs/dbraw/zinc/06/83/70/915068370.db2.gz BZWGDZMOHRPKJK-PXNSSMCTSA-N 0 3 383.511 3.728 20 10 GHCDHN Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255832 916664013 /nfs/dbraw/zinc/66/40/13/916664013.db2.gz RMGMADRLQDICJT-INIZCTEOSA-N 0 3 387.911 3.774 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1[O-] ZINC000294990152 917083792 /nfs/dbraw/zinc/08/37/92/917083792.db2.gz KNVZYUKDCRUIBA-IAGOWNOFSA-N 0 3 377.282 3.868 20 10 GHCDHN CN(C)C[C@H]1COCCN1C(=O)c1cccc(N=Nc2ccc(N(C)C)cc2)c1 ZINC001190976613 917679499 /nfs/dbraw/zinc/67/94/99/917679499.db2.gz JHFPAEIEEXCLPL-NRFANRHFSA-N 0 3 395.507 3.571 20 10 GHCDHN CC[C@@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1[O-] ZINC000775484689 918233865 /nfs/dbraw/zinc/23/38/65/918233865.db2.gz HNBFJDXHGBSTFA-JOCHJYFZSA-N 0 3 383.536 3.654 20 10 GHCDHN COc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1O ZINC000113359188 919366969 /nfs/dbraw/zinc/36/69/69/919366969.db2.gz QARDRCGIEBURFB-KRWDZBQOSA-N 0 3 376.884 3.514 20 10 GHCDHN C[C@@H](N[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598422 919456850 /nfs/dbraw/zinc/45/68/50/919456850.db2.gz HEQXJXNZVAHYOM-VGSWGCGISA-N 0 3 397.494 3.509 20 10 GHCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H](C)C2CC2)c(OC)c1 ZINC000800859981 920539376 /nfs/dbraw/zinc/53/93/76/920539376.db2.gz YOHULVPEEQNXLQ-QKKBWIMNSA-N 0 3 399.487 3.636 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H](C)C2CC2)c(OC)c1 ZINC000800859981 920539389 /nfs/dbraw/zinc/53/93/89/920539389.db2.gz YOHULVPEEQNXLQ-QKKBWIMNSA-N 0 3 399.487 3.636 20 10 GHCDHN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCCC2)cc1 ZINC000368562540 922746720 /nfs/dbraw/zinc/74/67/20/922746720.db2.gz GOBBHURCMSTLOE-AVRDEDQJSA-N 0 3 382.552 3.984 20 10 GHCDHN C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000903381890 922979038 /nfs/dbraw/zinc/97/90/38/922979038.db2.gz ZJWLDTPIZFYXEI-SUMWQHHRSA-N 0 3 378.314 3.893 20 10 GHCDHN COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccc(N(C)C)c(F)c1 ZINC000749110976 924027643 /nfs/dbraw/zinc/02/76/43/924027643.db2.gz WNVDZBAIFFWMDU-UHFFFAOYSA-N 0 3 386.423 3.723 20 10 GHCDHN C[C@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000927017743 932382684 /nfs/dbraw/zinc/38/26/84/932382684.db2.gz ZIPVLBHMXYVVET-FUHWJXTLSA-N 0 3 394.943 3.555 20 10 GHCDHN CCn1ncc2c1[C@H](COC)CN(Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204236887 1032681397 /nfs/dbraw/zinc/68/13/97/1032681397.db2.gz XSAUTBIGJQWNCL-IBGZPJMESA-N 0 3 378.520 3.868 20 10 GHCDHN CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)Cc1ccc(O)cc1[O-] ZINC001204278242 1032719135 /nfs/dbraw/zinc/71/91/35/1032719135.db2.gz ZJDIXYRTOXGUJT-VQTJNVASSA-N 0 3 387.451 3.971 20 10 GHCDHN CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)Cc1ccc(O)cc1[O-] ZINC001204278242 1032719146 /nfs/dbraw/zinc/71/91/46/1032719146.db2.gz ZJDIXYRTOXGUJT-VQTJNVASSA-N 0 3 387.451 3.971 20 10 GHCDHN O=C1c2ccccc2CN1[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329322 1032771588 /nfs/dbraw/zinc/77/15/88/1032771588.db2.gz LUSBVURTYLEEQV-JOCHJYFZSA-N 0 3 375.516 3.907 20 10 GHCDHN COc1cccc(C(=O)NC2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204329702 1032773863 /nfs/dbraw/zinc/77/38/63/1032773863.db2.gz XHNUDXYPFJJSBO-UHFFFAOYSA-N 0 3 393.531 3.690 20 10 GHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000834544199 1021260347 /nfs/dbraw/zinc/26/03/47/1021260347.db2.gz JHGLWWLQJZBTLN-AWEZNQCLSA-N 0 3 376.250 3.703 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1[O-] ZINC000834840603 1021539275 /nfs/dbraw/zinc/53/92/75/1021539275.db2.gz LQXBMHXNXCQAIM-LLVKDONJSA-N 0 3 385.689 3.629 20 10 GHCDHN CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725846392 1022388126 /nfs/dbraw/zinc/38/81/26/1022388126.db2.gz CSKVBNNIVTWWLC-UHFFFAOYSA-N 0 3 381.497 3.894 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3cnc4cc[nH]cc3-4)CC2)cc1 ZINC001140806816 1022581643 /nfs/dbraw/zinc/58/16/43/1022581643.db2.gz SUWLUXHKPAKOEP-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN FC(F)(F)Oc1ccc(N2CCN(Cc3c[nH]c4ccncc34)CC2)cc1 ZINC001140806816 1022581651 /nfs/dbraw/zinc/58/16/51/1022581651.db2.gz SUWLUXHKPAKOEP-UHFFFAOYSA-N 0 3 376.382 3.784 20 10 GHCDHN COc1ccc(CCN(Cc2ccc(N(C)C)cc2Cl)C[C@@H](C)O)cc1 ZINC001140921268 1022885980 /nfs/dbraw/zinc/88/59/80/1022885980.db2.gz AFYLUURTQJHCFS-MRXNPFEDSA-N 0 3 376.928 3.840 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950340 1022972278 /nfs/dbraw/zinc/97/22/78/1022972278.db2.gz QUHMXHRVGXQPPN-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c([O-])c1 ZINC001140950340 1022972282 /nfs/dbraw/zinc/97/22/82/1022972282.db2.gz QUHMXHRVGXQPPN-XZOQPEGZSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950405 1022972610 /nfs/dbraw/zinc/97/26/10/1022972610.db2.gz SAPNJBMDKCZSMN-DHIUTWEWSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)c([O-])c1 ZINC001140950405 1022972615 /nfs/dbraw/zinc/97/26/15/1022972615.db2.gz SAPNJBMDKCZSMN-DHIUTWEWSA-N 0 3 389.536 3.515 20 10 GHCDHN CN(C[C@@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1)C(=O)OC(C)(C)C ZINC001141140471 1023569827 /nfs/dbraw/zinc/56/98/27/1023569827.db2.gz MMSUKRNZTFXUID-SFHVURJKSA-N 0 3 389.540 3.594 20 10 GHCDHN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000756442163 1023651480 /nfs/dbraw/zinc/65/14/80/1023651480.db2.gz AHIRFMSDJCYYBC-DYVFJYSZSA-N 0 3 392.496 3.556 20 10 GHCDHN C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000756490359 1023683077 /nfs/dbraw/zinc/68/30/77/1023683077.db2.gz OTCMNCUGYCDHPL-JTQLQIEISA-N 0 3 382.229 3.916 20 10 GHCDHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2ccc3c(c2)CCO3)cc1 ZINC000756516982 1023694399 /nfs/dbraw/zinc/69/43/99/1023694399.db2.gz VBFDYXXLQZTNBG-IRLDBZIGSA-N 0 3 385.529 3.805 20 10 GHCDHN C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cc(F)ccc1[O-] ZINC000756527854 1023699071 /nfs/dbraw/zinc/69/90/71/1023699071.db2.gz RJVQRIXGXLSLGR-LBPRGKRZSA-N 0 3 395.272 3.765 20 10 GHCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756599194 1023729518 /nfs/dbraw/zinc/72/95/18/1023729518.db2.gz XVDITRSNIULNHL-IGNZVWTISA-N 0 3 381.451 3.508 20 10 GHCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000756606175 1023734559 /nfs/dbraw/zinc/73/45/59/1023734559.db2.gz WDGXDMOPCPZYSB-UUOWRZLLSA-N 0 3 376.500 3.833 20 10 GHCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756768795 1023808175 /nfs/dbraw/zinc/80/81/75/1023808175.db2.gz MMPTXJIPQUYPEN-CKEIUWERSA-N 0 3 377.481 3.922 20 10 GHCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756768798 1023808348 /nfs/dbraw/zinc/80/83/48/1023808348.db2.gz MMPTXJIPQUYPEN-VBQJREDUSA-N 0 3 377.481 3.922 20 10 GHCDHN COc1cnc(OC2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC001138222099 1024398439 /nfs/dbraw/zinc/39/84/39/1024398439.db2.gz GQHDDIWXYNUNDL-UHFFFAOYSA-N 0 3 382.508 3.519 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cc(C3CC3)ccc2F)N(C)C)cc1 ZINC001229059298 1033255006 /nfs/dbraw/zinc/25/50/06/1033255006.db2.gz FTTDEROAALWYSF-QFIPXVFZSA-N 0 3 398.526 3.871 20 10 GHCDHN C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000838782955 1025363114 /nfs/dbraw/zinc/36/31/14/1025363114.db2.gz GETCGIPODVPIFH-DENIHFKCSA-N 0 3 396.531 3.799 20 10 GHCDHN C[C@@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000838782955 1025363126 /nfs/dbraw/zinc/36/31/26/1025363126.db2.gz GETCGIPODVPIFH-DENIHFKCSA-N 0 3 396.531 3.799 20 10 GHCDHN CC(C)Oc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146284 1025641927 /nfs/dbraw/zinc/64/19/27/1025641927.db2.gz BGXUDMGJMVLNRB-UHFFFAOYSA-N 0 3 376.447 3.878 20 10 GHCDHN Cc1ccc([C@@H](CN2CCOCC2)NCc2ccc(N3CCCC3)cc2)cc1 ZINC001461017491 1069338371 /nfs/dbraw/zinc/33/83/71/1069338371.db2.gz RVKRUUAHUFCWJO-XMMPIXPASA-N 0 3 379.548 3.758 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001140055806 1026834877 /nfs/dbraw/zinc/83/48/77/1026834877.db2.gz WDKSQVORGCCTAK-PZJWPPBQSA-N 0 3 390.430 3.516 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001140055806 1026834886 /nfs/dbraw/zinc/83/48/86/1026834886.db2.gz WDKSQVORGCCTAK-PZJWPPBQSA-N 0 3 390.430 3.516 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2CF)CC1 ZINC001140063138 1026841828 /nfs/dbraw/zinc/84/18/28/1026841828.db2.gz LNGGJTICOUXKDG-GOEBONIOSA-N 0 3 382.451 3.606 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2CF)CC1 ZINC001140063138 1026841839 /nfs/dbraw/zinc/84/18/39/1026841839.db2.gz LNGGJTICOUXKDG-GOEBONIOSA-N 0 3 382.451 3.606 20 10 GHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cccc(F)c3F)CC1)[C@H](O)CO2 ZINC000840142760 1027272822 /nfs/dbraw/zinc/27/28/22/1027272822.db2.gz HQSKFIXHQLXYTD-LJQANCHMSA-N 0 3 375.415 3.551 20 10 GHCDHN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(Cc1ccccc1O)C2 ZINC001203552753 1027429779 /nfs/dbraw/zinc/42/97/79/1027429779.db2.gz RYYWDLKDHLSHJB-OAQYLSRUSA-N 0 3 399.878 3.795 20 10 GHCDHN Cn1cnc2c1cc(C1CC[NH+](Cc3ccccc3[O-])CC1)nc2N1CCCC1 ZINC001203551747 1027429846 /nfs/dbraw/zinc/42/98/46/1027429846.db2.gz MKQRUUOAIGFMNO-UHFFFAOYSA-N 0 3 391.519 3.654 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001203645546 1027503421 /nfs/dbraw/zinc/50/34/21/1027503421.db2.gz MDNPELQFFADTPZ-VQIMIIECSA-N 0 3 387.321 3.861 20 10 GHCDHN [O-]c1ccc(Br)cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001203645546 1027503432 /nfs/dbraw/zinc/50/34/32/1027503432.db2.gz MDNPELQFFADTPZ-VQIMIIECSA-N 0 3 387.321 3.861 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000840895475 1027928500 /nfs/dbraw/zinc/92/85/00/1027928500.db2.gz YLVHXHZGMOLKDF-MGPUTAFESA-N 0 3 390.524 3.639 20 10 GHCDHN COCCOc1ccc(N2CCN(Cc3c(C)cc(OC)cc3C)CC2)cc1 ZINC001142942595 1029723624 /nfs/dbraw/zinc/72/36/24/1029723624.db2.gz UAWNUDBOBSAOOE-UHFFFAOYSA-N 0 3 384.520 3.659 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H](Cc2ccccc2)C2CC2)N(C)C)cc1 ZINC001221941363 1029901348 /nfs/dbraw/zinc/90/13/48/1029901348.db2.gz KKBGPTKZNXOSHH-PKTZIBPZSA-N 0 3 394.563 3.676 20 10 GHCDHN COc1cc([O-])c(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c(Br)c1 ZINC001222172413 1029987507 /nfs/dbraw/zinc/98/75/07/1029987507.db2.gz KPMIRPVFSAINMS-IBGZPJMESA-N 0 3 397.357 3.909 20 10 GHCDHN COc1cc([O-])c(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(Br)c1 ZINC001222172416 1029988086 /nfs/dbraw/zinc/98/80/86/1029988086.db2.gz KPMIRPVFSAINMS-LJQANCHMSA-N 0 3 397.357 3.909 20 10 GHCDHN CCOC(=O)/C=C/c1ccc(Cl)cc1NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001219410938 1031406954 /nfs/dbraw/zinc/40/69/54/1031406954.db2.gz PCKSQCUYFKZPME-XAVKZTDYSA-N 0 3 388.851 3.651 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001220212406 1031838447 /nfs/dbraw/zinc/83/84/47/1031838447.db2.gz IMHLRBBIVKFBQT-BEFAXECRSA-N 0 3 395.890 3.951 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001220212409 1031838702 /nfs/dbraw/zinc/83/87/02/1031838702.db2.gz IMHLRBBIVKFBQT-KXBFYZLASA-N 0 3 395.890 3.951 20 10 GHCDHN Cc1ccc(C[C@H](N)C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c(C)c1 ZINC001157436141 1033588402 /nfs/dbraw/zinc/58/84/02/1033588402.db2.gz ZNMIYGVPARLDJC-SIKLNZKXSA-N 0 3 380.532 3.935 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2[O-])[NH+](C)C)cc1 ZINC001158717696 1034243706 /nfs/dbraw/zinc/24/37/06/1034243706.db2.gz QVRSEMPRLUMGNC-OAQYLSRUSA-N 0 3 377.488 3.644 20 10 GHCDHN CCN1CCn2c(C)cnc2C12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231587939 1034741703 /nfs/dbraw/zinc/74/17/03/1034741703.db2.gz PPLYJYJKLCXASX-UHFFFAOYSA-N 0 3 390.531 3.877 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001231588297 1034742323 /nfs/dbraw/zinc/74/23/23/1034742323.db2.gz KPSINPYGMPYXBX-HYBUGGRVSA-N 0 3 390.483 3.606 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001231588297 1034742338 /nfs/dbraw/zinc/74/23/38/1034742338.db2.gz KPSINPYGMPYXBX-HYBUGGRVSA-N 0 3 390.483 3.606 20 10 GHCDHN C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1c([O-])ccc2ccccc21 ZINC001231591239 1034746135 /nfs/dbraw/zinc/74/61/35/1034746135.db2.gz ZEVRHMAXCMTEPL-UHFFFAOYSA-N 0 3 399.535 3.530 20 10 GHCDHN C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1c([O-])ccc2ccccc21 ZINC001231591239 1034746150 /nfs/dbraw/zinc/74/61/50/1034746150.db2.gz ZEVRHMAXCMTEPL-UHFFFAOYSA-N 0 3 399.535 3.530 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001231853672 1034943742 /nfs/dbraw/zinc/94/37/42/1034943742.db2.gz ZCIKDQGLXBPLEP-UHFFFAOYSA-N 0 3 397.494 3.529 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231855020 1034944420 /nfs/dbraw/zinc/94/44/20/1034944420.db2.gz OORYKNBYTMCXBB-GOSISDBHSA-N 0 3 377.529 3.593 20 10 GHCDHN Cc1cc(O)c(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)cc1Cl ZINC001231866032 1034952758 /nfs/dbraw/zinc/95/27/58/1034952758.db2.gz BTILHFIBYOXTOE-HNNXBMFYSA-N 0 3 376.932 3.968 20 10 GHCDHN [O-]c1c(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)ccc2ccccc21 ZINC001231881312 1034964635 /nfs/dbraw/zinc/96/46/35/1034964635.db2.gz VCGGPAFFUQCGGM-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1nccnc1OC1CCC1)c1ccccc1O ZINC001160624063 1035018326 /nfs/dbraw/zinc/01/83/26/1035018326.db2.gz NPCBJMMAOZHCTL-WOJBJXKFSA-N 0 3 392.459 3.672 20 10 GHCDHN CCOC(=O)c1cnc2n1CCN(Cc1ccc(-n3c(C)ccc3C)cc1)CC2 ZINC001209517275 1035300331 /nfs/dbraw/zinc/30/03/31/1035300331.db2.gz AXZDXPFXHNVAOU-UHFFFAOYSA-N 0 3 392.503 3.526 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c1[O-] ZINC001461990968 1069932200 /nfs/dbraw/zinc/93/22/00/1069932200.db2.gz DHXWIBKZENFMLI-IBFVRDEOSA-N 0 3 384.314 3.875 20 10 GHCDHN CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(Cl)c(C(C)(C)C)cc1[O-])CC2 ZINC001248882756 1036223410 /nfs/dbraw/zinc/22/34/10/1036223410.db2.gz NXNUXOLPDBEWFK-UHFFFAOYSA-N 0 3 379.932 3.973 20 10 GHCDHN COC(=O)c1c(CN(Cc2ccccc2)CC(C)(C)O)c2ccccc2n1C ZINC001232404509 1038187204 /nfs/dbraw/zinc/18/72/04/1038187204.db2.gz UZAAKNXAJWKVFW-UHFFFAOYSA-N 0 3 380.488 3.738 20 10 GHCDHN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107229 1038892707 /nfs/dbraw/zinc/89/27/07/1038892707.db2.gz BJQMQTAYOGKEFK-LJQANCHMSA-N 0 3 395.341 3.830 20 10 GHCDHN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C2 ZINC001233107229 1038892734 /nfs/dbraw/zinc/89/27/34/1038892734.db2.gz BJQMQTAYOGKEFK-LJQANCHMSA-N 0 3 395.341 3.830 20 10 GHCDHN CC(=O)N1CCCC[C@]12CCCN(Cc1cc(Br)cc(C)c1O)C2 ZINC001233107229 1038892758 /nfs/dbraw/zinc/89/27/58/1038892758.db2.gz BJQMQTAYOGKEFK-LJQANCHMSA-N 0 3 395.341 3.830 20 10 GHCDHN Cc1cc(Br)cc(CN2CCC3(CC(F)(F)CO3)CC2)c1O ZINC001233105961 1038893197 /nfs/dbraw/zinc/89/31/97/1038893197.db2.gz FMIUQMGBZZGTNU-UHFFFAOYSA-N 0 3 376.241 3.853 20 10 GHCDHN COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233194279 1038960261 /nfs/dbraw/zinc/96/02/61/1038960261.db2.gz PPSBLMXPIBNDHZ-GOSISDBHSA-N 0 3 378.266 3.835 20 10 GHCDHN COC(=O)[C@@]1(C)CCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233194279 1038960270 /nfs/dbraw/zinc/96/02/70/1038960270.db2.gz PPSBLMXPIBNDHZ-GOSISDBHSA-N 0 3 378.266 3.835 20 10 GHCDHN COC(=O)[C@@]1(C)CCCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194279 1038960273 /nfs/dbraw/zinc/96/02/73/1038960273.db2.gz PPSBLMXPIBNDHZ-GOSISDBHSA-N 0 3 378.266 3.835 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196020 1038963254 /nfs/dbraw/zinc/96/32/54/1038963254.db2.gz QENWDBNAYMZRKT-ZDUSSCGKSA-N 0 3 378.266 3.693 20 10 GHCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233196020 1038963260 /nfs/dbraw/zinc/96/32/60/1038963260.db2.gz QENWDBNAYMZRKT-ZDUSSCGKSA-N 0 3 378.266 3.693 20 10 GHCDHN CC(C)(C)c1ccc(O)c(CN2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001233286667 1039066027 /nfs/dbraw/zinc/06/60/27/1039066027.db2.gz DUPKWCMDOQYUEV-UHFFFAOYSA-N 0 3 380.532 3.967 20 10 GHCDHN CN(Cc1c[nH]nc1-c1cc(F)cc(F)c1)Cc1ccc(N2CCOCC2)cc1 ZINC001233405159 1039250276 /nfs/dbraw/zinc/25/02/76/1039250276.db2.gz MFCUYLCUHMIFMU-UHFFFAOYSA-N 0 3 398.457 3.824 20 10 GHCDHN Oc1cc(O)c(CN2CC[C@H](OCc3ccc(Cl)cc3Cl)C2)cc1O ZINC001233485140 1039380346 /nfs/dbraw/zinc/38/03/46/1039380346.db2.gz KLVXCANZOAJKDK-AWEZNQCLSA-N 0 3 384.259 3.901 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](Oc4ncncc4C)C3)c2c1 ZINC001234569638 1040137116 /nfs/dbraw/zinc/13/71/16/1040137116.db2.gz PXGBESXBLWENGP-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](Oc4ncncc4C)C3)c2c1 ZINC001234569638 1040137124 /nfs/dbraw/zinc/13/71/24/1040137124.db2.gz PXGBESXBLWENGP-SFHVURJKSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](Oc4ncccc4OC)C3)c2c1 ZINC001234570402 1040138863 /nfs/dbraw/zinc/13/88/63/1040138863.db2.gz ZJVKECUUWAFEKA-QGZVFWFLSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](Oc4ncccc4OC)C3)c2c1 ZINC001234570402 1040138873 /nfs/dbraw/zinc/13/88/73/1040138873.db2.gz ZJVKECUUWAFEKA-QGZVFWFLSA-N 0 3 380.444 3.611 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1)N1CCCC1 ZINC001234998055 1040492045 /nfs/dbraw/zinc/49/20/45/1040492045.db2.gz HMTVQMYJDKCKAC-UHFFFAOYSA-N 0 3 379.504 3.829 20 10 GHCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)c([O-])c1 ZINC001235685631 1041154752 /nfs/dbraw/zinc/15/47/52/1041154752.db2.gz UBDABDZSHKSLRJ-UHFFFAOYSA-N 0 3 379.504 3.714 20 10 GHCDHN COc1ccc(N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)CC2)cc1 ZINC001256469915 1041749212 /nfs/dbraw/zinc/74/92/12/1041749212.db2.gz SHPWSTBTIDGIEG-MJGOQNOKSA-N 0 3 389.540 3.605 20 10 GHCDHN COc1cc([O-])c(CN([C@H]2CC[NH2+]C2)C2CCCCC2)cc1Br ZINC001236654363 1041806294 /nfs/dbraw/zinc/80/62/94/1041806294.db2.gz PIZQSRFAQMTUSA-HNNXBMFYSA-N 0 3 383.330 3.660 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)c([O-])c1 ZINC001236786094 1041891919 /nfs/dbraw/zinc/89/19/19/1041891919.db2.gz DCDPNTGPIIUZMX-JOCHJYFZSA-N 0 3 399.560 3.734 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)c([O-])c1 ZINC001236786094 1041891926 /nfs/dbraw/zinc/89/19/26/1041891926.db2.gz DCDPNTGPIIUZMX-JOCHJYFZSA-N 0 3 399.560 3.734 20 10 GHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236836408 1041922996 /nfs/dbraw/zinc/92/29/96/1041922996.db2.gz IPLYHAOBRGWXHE-HSZRJFAPSA-N 0 3 376.500 3.878 20 10 GHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236836408 1041922999 /nfs/dbraw/zinc/92/29/99/1041922999.db2.gz IPLYHAOBRGWXHE-HSZRJFAPSA-N 0 3 376.500 3.878 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237137491 1042059634 /nfs/dbraw/zinc/05/96/34/1042059634.db2.gz PXUSSBSRIDHCCV-XJKSGUPXSA-N 0 3 397.466 3.964 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237137491 1042059639 /nfs/dbraw/zinc/05/96/39/1042059639.db2.gz PXUSSBSRIDHCCV-XJKSGUPXSA-N 0 3 397.466 3.964 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001237488809 1042231253 /nfs/dbraw/zinc/23/12/53/1042231253.db2.gz QYQFSJAYCRJILU-DEOSSOPVSA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001237488809 1042231256 /nfs/dbraw/zinc/23/12/56/1042231256.db2.gz QYQFSJAYCRJILU-DEOSSOPVSA-N 0 3 387.483 3.832 20 10 GHCDHN Cc1cccc(O)c1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC001237489006 1042232521 /nfs/dbraw/zinc/23/25/21/1042232521.db2.gz BODSXQWCJZFHFS-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN COc1cccnc1N1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237649605 1042303608 /nfs/dbraw/zinc/30/36/08/1042303608.db2.gz MABMSXIQOWFDLQ-UHFFFAOYSA-N 0 3 393.462 3.924 20 10 GHCDHN COC(=O)c1cccc(C[N@H+](C)Cc2cc(Br)c(C)cc2[O-])c1 ZINC001237682290 1042322698 /nfs/dbraw/zinc/32/26/98/1042322698.db2.gz QBLLFGJVSUZYAB-UHFFFAOYSA-N 0 3 378.266 3.882 20 10 GHCDHN COC(=O)c1cccc(C[N@@H+](C)Cc2cc(Br)c(C)cc2[O-])c1 ZINC001237682290 1042322704 /nfs/dbraw/zinc/32/27/04/1042322704.db2.gz QBLLFGJVSUZYAB-UHFFFAOYSA-N 0 3 378.266 3.882 20 10 GHCDHN CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC001237686513 1042326521 /nfs/dbraw/zinc/32/65/21/1042326521.db2.gz RJUDJVRLZGFSFS-UHFFFAOYSA-N 0 3 388.943 3.686 20 10 GHCDHN Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001279333439 1047771255 /nfs/dbraw/zinc/77/12/55/1047771255.db2.gz BJBIUJPQBHTWFB-QAPCUYQASA-N 0 3 390.984 3.877 20 10 GHCDHN Cc1ncsc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001279421931 1047800495 /nfs/dbraw/zinc/80/04/95/1047800495.db2.gz SFPVXXIVTQKPQQ-FQEVSTJZSA-N 0 3 375.513 3.784 20 10 GHCDHN Cc1ncsc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001279421931 1047800506 /nfs/dbraw/zinc/80/05/06/1047800506.db2.gz SFPVXXIVTQKPQQ-FQEVSTJZSA-N 0 3 375.513 3.784 20 10 GHCDHN CCn1ccnc1CN1CCC2(CN(Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001279676772 1047910655 /nfs/dbraw/zinc/91/06/55/1047910655.db2.gz PMYVJBINKWUPAJ-UHFFFAOYSA-N 0 3 395.334 3.623 20 10 GHCDHN CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463279634 1070959055 /nfs/dbraw/zinc/95/90/55/1070959055.db2.gz JHACAKPJZUHROL-GOTSBHOMSA-N 0 3 381.564 3.986 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)N(C)C)cc1 ZINC001463280117 1070959825 /nfs/dbraw/zinc/95/98/25/1070959825.db2.gz JYIHZVYGWRXEGL-KJXAQDMKSA-N 0 3 383.511 3.541 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)c2ccc(F)cc2F)N(C)C)cc1 ZINC001463287581 1070964571 /nfs/dbraw/zinc/96/45/71/1070964571.db2.gz YFVAAZISBKMYSO-FQEVSTJZSA-N 0 3 389.490 3.728 20 10 GHCDHN COc1ccccc1CC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001463284441 1070962492 /nfs/dbraw/zinc/96/24/92/1070962492.db2.gz RJCSNSWJYZJLFU-OAQYLSRUSA-N 0 3 397.563 3.749 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(-n3cccc3)cc2)N(C)C)cc1 ZINC001289599456 1049555712 /nfs/dbraw/zinc/55/57/12/1049555712.db2.gz CNZATUMQADYUET-QHCPKHFHSA-N 0 3 390.531 3.505 20 10 GHCDHN Cc1oc2ccccc2c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001308218069 1049916359 /nfs/dbraw/zinc/91/63/59/1049916359.db2.gz QXYQXFHWLQVEPD-SFHVURJKSA-N 0 3 377.488 3.733 20 10 GHCDHN CNC(=O)CC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCCCC1 ZINC001308875232 1050134327 /nfs/dbraw/zinc/13/43/27/1050134327.db2.gz ZTTHQMYXMWXCNJ-UHFFFAOYSA-N 0 3 383.330 3.639 20 10 GHCDHN CCOc1ccc(CN(C)Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC001330596113 1051036406 /nfs/dbraw/zinc/03/64/06/1051036406.db2.gz FHRZWYAEPNWRBJ-UHFFFAOYSA-N 0 3 384.520 3.687 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC2(CC1)COCCO2 ZINC001333323559 1051718409 /nfs/dbraw/zinc/71/84/09/1051718409.db2.gz MMOAEVMGQBHHDG-UHFFFAOYSA-N 0 3 392.293 3.689 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC001311627759 1052288526 /nfs/dbraw/zinc/28/85/26/1052288526.db2.gz OWOAZLIRVYCBLT-QFIPXVFZSA-N 0 3 382.552 3.943 20 10 GHCDHN CCS[C@@H]1CCC[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001312186904 1052625103 /nfs/dbraw/zinc/62/51/03/1052625103.db2.gz VIQFNTGDBJMTAP-DFQSSKMNSA-N 0 3 392.613 3.719 20 10 GHCDHN O=C(NCc1ccc(Nc2ccncc2)cc1)NCc1cc(Cl)ccc1O ZINC001313083929 1052952742 /nfs/dbraw/zinc/95/27/42/1052952742.db2.gz GLSLPTXWKYIWPA-UHFFFAOYSA-N 0 3 382.851 3.606 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001313417132 1053048193 /nfs/dbraw/zinc/04/81/93/1053048193.db2.gz RFQVCCZIGVZKNL-VWNXMTODSA-N 0 3 394.563 3.906 20 10 GHCDHN COC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001321386505 1056242649 /nfs/dbraw/zinc/24/26/49/1056242649.db2.gz QMUFALQWVSFKRN-OALUTQOASA-N 0 3 380.448 3.972 20 10 GHCDHN CSc1ccccc1[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001322615427 1056771069 /nfs/dbraw/zinc/77/10/69/1056771069.db2.gz VJQCBFTXRSXSBU-FUHWJXTLSA-N 0 3 383.561 3.961 20 10 GHCDHN CN1CCN(c2ccc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC001323927873 1057038342 /nfs/dbraw/zinc/03/83/42/1057038342.db2.gz HEFMBCYNRIDSEN-UHFFFAOYSA-N 0 3 386.471 3.511 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1[O-] ZINC000848520307 1057145342 /nfs/dbraw/zinc/14/53/42/1057145342.db2.gz HXPHDPZQTXBCGQ-LBPRGKRZSA-N 0 3 399.329 3.653 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000848532271 1057153319 /nfs/dbraw/zinc/15/33/19/1057153319.db2.gz BTEXKOQVFCMNJU-JTQLQIEISA-N 0 3 381.226 3.922 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1[O-] ZINC000848534890 1057156486 /nfs/dbraw/zinc/15/64/86/1057156486.db2.gz WFKGMZCIYDQZSL-DCGLDWPTSA-N 0 3 394.309 3.979 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c1[O-] ZINC000848536073 1057158049 /nfs/dbraw/zinc/15/80/49/1057158049.db2.gz NIYMDJIHJFZYBD-GDZNZVCISA-N 0 3 394.309 3.806 20 10 GHCDHN CN1CCN(c2ccc(CN3CCC(OC4CCCCC4)CC3)cc2F)CC1 ZINC001325315772 1057311260 /nfs/dbraw/zinc/31/12/60/1057311260.db2.gz PSBOMKPHZSUTBW-UHFFFAOYSA-N 0 3 389.559 3.891 20 10 GHCDHN CC(C)COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001439958824 1058364412 /nfs/dbraw/zinc/36/44/12/1058364412.db2.gz PHPWDFHQHFXBMV-QFIPXVFZSA-N 0 3 383.536 3.820 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001439958973 1058365797 /nfs/dbraw/zinc/36/57/97/1058365797.db2.gz AMYTYQWHKVIMSX-LADGPHEKSA-N 0 3 379.548 3.766 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)F)c2F)N(C)C)cc1 ZINC001439963256 1058371004 /nfs/dbraw/zinc/37/10/04/1058371004.db2.gz YQMXVUHENOOMMF-KRWDZBQOSA-N 0 3 379.426 3.862 20 10 GHCDHN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1OC(C)C ZINC001456927462 1062921081 /nfs/dbraw/zinc/92/10/81/1062921081.db2.gz BTHDPQGXPZKEHC-HXUWFJFHSA-N 0 3 399.535 3.581 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4c3OC(C)(C)C4)c2)CC1 ZINC001459283457 1064045663 /nfs/dbraw/zinc/04/56/63/1064045663.db2.gz GJGWOMACYNUWAI-UHFFFAOYSA-N 0 3 379.504 3.794 20 10 GHCDHN CC(C)Cn1nccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001200400296 1066103348 /nfs/dbraw/zinc/10/33/48/1066103348.db2.gz GVZPRPRIWVCJIJ-SFHVURJKSA-N 0 3 376.932 3.652 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(-c3ccon3)c2)N(C)C)cc1 ZINC001467353727 1067246050 /nfs/dbraw/zinc/24/60/50/1067246050.db2.gz PQYSCFPQDDNNHX-OAQYLSRUSA-N 0 3 393.491 3.832 20 10 GHCDHN CC1CC[NH+]([C@H](CNC(=O)NCc2c([O-])cccc2F)c2ccccc2)CC1 ZINC001468177733 1067621708 /nfs/dbraw/zinc/62/17/08/1067621708.db2.gz RMKVIILSPYTFQT-HXUWFJFHSA-N 0 3 385.483 3.804 20 10 GHCDHN Cc1cc(Br)c(O)c(CNc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000849352280 1067818429 /nfs/dbraw/zinc/81/84/29/1067818429.db2.gz KCCLLNAOLBSBEM-KRWDZBQOSA-N 0 3 377.282 3.736 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2(c3cccc(F)c3)CC2)N(C)C)cc1 ZINC001468939903 1067933242 /nfs/dbraw/zinc/93/32/42/1067933242.db2.gz YWCBUEVUICMMNA-NRFANRHFSA-N 0 3 398.526 3.525 20 10 GHCDHN CN(C)c1ccc(CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cc1 ZINC001460741181 1069147458 /nfs/dbraw/zinc/14/74/58/1069147458.db2.gz YOCXSMXIYKECHD-KDURUIRLSA-N 0 3 375.310 3.655 20 10 GHCDHN Cc1cc(CN2CCc3c(CC(N)=O)cccc3C2)ccc1N1CCCCC1 ZINC001473711988 1074101805 /nfs/dbraw/zinc/10/18/05/1074101805.db2.gz QTJKHEGOUZVTLT-UHFFFAOYSA-N 0 3 377.532 3.571 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2nc3c(s2)CCCC3)N(C)C)cc1 ZINC001475941673 1075054095 /nfs/dbraw/zinc/05/40/95/1075054095.db2.gz JHCODRJYGSEQRR-QGZVFWFLSA-N 0 3 387.553 3.512 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1[O-] ZINC000359864271 212119025 /nfs/dbraw/zinc/11/90/25/212119025.db2.gz ATSMWZYILKNCQK-SJKOYZFVSA-N 0 3 395.956 3.819 20 10 GHCDHN CCOc1cccc(CNCc2ccc(OC)c(OC)c2O)c1OC(F)F ZINC000893109985 838111621 /nfs/dbraw/zinc/11/16/21/838111621.db2.gz DLSZZDRUMALXHE-UHFFFAOYSA-N 0 3 383.391 3.699 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000180486792 838594694 /nfs/dbraw/zinc/59/46/94/838594694.db2.gz CHLVOBUJWMTXMM-UHFFFAOYSA-N 0 3 384.373 3.677 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1cccc3ccccc31)cc2=O ZINC000181657788 840658439 /nfs/dbraw/zinc/65/84/39/840658439.db2.gz ZVDKDHAJPXVPHG-AWEZNQCLSA-N 0 3 390.443 3.616 20 10 GHCDHN [O-]c1cccc(Br)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000706805256 840775395 /nfs/dbraw/zinc/77/53/95/840775395.db2.gz VSALIUHZMBOXOK-UHFFFAOYSA-N 0 3 375.310 3.909 20 10 GHCDHN CCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)c1 ZINC000731845814 861906489 /nfs/dbraw/zinc/90/64/89/861906489.db2.gz KUDOPYADWBRUHW-UHFFFAOYSA-N 0 3 395.503 3.525 20 10 GHCDHN CCNC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731845814 861906501 /nfs/dbraw/zinc/90/65/01/861906501.db2.gz KUDOPYADWBRUHW-UHFFFAOYSA-N 0 3 395.503 3.525 20 10 GHCDHN CCNC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731845814 861906509 /nfs/dbraw/zinc/90/65/09/861906509.db2.gz KUDOPYADWBRUHW-UHFFFAOYSA-N 0 3 395.503 3.525 20 10 GHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000161518485 849024381 /nfs/dbraw/zinc/02/43/81/849024381.db2.gz DNDLIALQZJYEIM-SJORKVTESA-N 0 3 389.565 3.805 20 10 GHCDHN CN(CCCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000732204611 862145010 /nfs/dbraw/zinc/14/50/10/862145010.db2.gz OVMIJWDEWIBYKT-UHFFFAOYSA-N 0 3 395.547 3.780 20 10 GHCDHN CN(CCCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000732204611 862145012 /nfs/dbraw/zinc/14/50/12/862145012.db2.gz OVMIJWDEWIBYKT-UHFFFAOYSA-N 0 3 395.547 3.780 20 10 GHCDHN CN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000732455876 862287093 /nfs/dbraw/zinc/28/70/93/862287093.db2.gz RFJRNEAJWMPCEP-QFIPXVFZSA-N 0 3 384.568 3.834 20 10 GHCDHN CN(C)c1ccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000057984972 855905644 /nfs/dbraw/zinc/90/56/44/855905644.db2.gz IWEKJFAAMFSKAQ-UHFFFAOYSA-N 0 3 398.576 3.666 20 10 GHCDHN [O-]c1ccccc1C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCCO1 ZINC000158051963 858153101 /nfs/dbraw/zinc/15/31/01/858153101.db2.gz XXWFKXPJZLOKGO-LJQANCHMSA-N 0 3 379.460 3.666 20 10 GHCDHN [O-]c1ccccc1C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCCO1 ZINC000158051963 858153107 /nfs/dbraw/zinc/15/31/07/858153107.db2.gz XXWFKXPJZLOKGO-LJQANCHMSA-N 0 3 379.460 3.666 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214446 859304867 /nfs/dbraw/zinc/30/48/67/859304867.db2.gz BOGPOMVNBKHXEM-OLZOCXBDSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000761214446 859304872 /nfs/dbraw/zinc/30/48/72/859304872.db2.gz BOGPOMVNBKHXEM-OLZOCXBDSA-N 0 3 384.904 3.789 20 10 GHCDHN CC(C)C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1 ZINC000765243988 859861921 /nfs/dbraw/zinc/86/19/21/859861921.db2.gz LYURQKIMRMXQHO-DENIHFKCSA-N 0 3 380.536 3.660 20 10 GHCDHN CCN(CC)C(=O)[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000172086946 863229873 /nfs/dbraw/zinc/22/98/73/863229873.db2.gz ACWDEZPRKJMSLG-HSZRJFAPSA-N 0 3 395.547 3.863 20 10 GHCDHN CCc1noc(C[C@@]2(O)CCCN(Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000856679521 881652627 /nfs/dbraw/zinc/65/26/27/881652627.db2.gz QJAPMLCYYGAEOY-QHCPKHFHSA-N 0 3 398.551 3.500 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000896921946 863877946 /nfs/dbraw/zinc/87/79/46/863877946.db2.gz VHJFVJQZWQVOHT-NRFANRHFSA-N 0 3 383.488 3.789 20 10 GHCDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000734272656 864109774 /nfs/dbraw/zinc/10/97/74/864109774.db2.gz NQLZHNKRGZBFAU-UHFFFAOYSA-N 0 3 394.563 3.651 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(-n4cc(C)cn4)cc3)c2)CC1 ZINC000184257199 864287806 /nfs/dbraw/zinc/28/78/06/864287806.db2.gz ULCXOYBSKHBFOG-UHFFFAOYSA-N 0 3 389.503 3.575 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1[O-] ZINC000763726958 864882665 /nfs/dbraw/zinc/88/26/65/864882665.db2.gz AIKIWMADEZWMCO-MLGOLLRUSA-N 0 3 375.266 3.611 20 10 GHCDHN Cn1nc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 ZINC000742384708 867252638 /nfs/dbraw/zinc/25/26/38/867252638.db2.gz JQOYAXCBYZGMEW-HNNXBMFYSA-N 0 3 386.446 3.933 20 10 GHCDHN C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cc(F)ccc1[O-] ZINC000793559642 882267650 /nfs/dbraw/zinc/26/76/50/882267650.db2.gz MHIYOGDRWKLSBO-DMZKTXOQSA-N 0 3 397.450 3.607 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000745266912 869427534 /nfs/dbraw/zinc/42/75/34/869427534.db2.gz WXHAORQCEADGKW-QFIPXVFZSA-N 0 3 382.552 3.976 20 10 GHCDHN COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC000793626090 882340050 /nfs/dbraw/zinc/34/00/50/882340050.db2.gz LSCISYKFBBVAGY-SFHVURJKSA-N 0 3 393.325 3.864 20 10 GHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000069784409 871510727 /nfs/dbraw/zinc/51/07/27/871510727.db2.gz IYWVUYCHGIHDFX-KRWDZBQOSA-N 0 3 389.565 3.634 20 10 GHCDHN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000768017806 873027916 /nfs/dbraw/zinc/02/79/16/873027916.db2.gz SMTYAJZKVYWHIW-UHFFFAOYSA-N 0 3 387.549 3.635 20 10 GHCDHN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775717319 873110586 /nfs/dbraw/zinc/11/05/86/873110586.db2.gz BVAQRYTVZKMDGX-UHFFFAOYSA-N 0 3 394.563 3.516 20 10 GHCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc(OC)c(C)cc1O ZINC000768449628 873311206 /nfs/dbraw/zinc/31/12/06/873311206.db2.gz XCKPPNYQZLXDOD-UHFFFAOYSA-N 0 3 379.403 3.553 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c([O-])c1 ZINC000768800682 873561737 /nfs/dbraw/zinc/56/17/37/873561737.db2.gz ZJAGBXUFWXXWFJ-UHFFFAOYSA-N 0 3 389.883 3.690 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000528016687 873916901 /nfs/dbraw/zinc/91/69/01/873916901.db2.gz SYPAFWFPMRPDCI-ZDUSSCGKSA-N 0 3 383.330 3.762 20 10 GHCDHN C[C@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(N(C)C)cc1 ZINC000775834322 874340158 /nfs/dbraw/zinc/34/01/58/874340158.db2.gz RJRWKERUTOMIPF-INIZCTEOSA-N 0 3 395.528 3.765 20 10 GHCDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1c(O)cccc1Br ZINC001199592785 875064062 /nfs/dbraw/zinc/06/40/62/875064062.db2.gz RLUXRSBPJOLPQF-UHFFFAOYSA-N 0 3 390.325 3.827 20 10 GHCDHN C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000776239200 875998877 /nfs/dbraw/zinc/99/88/77/875998877.db2.gz RWMLZKBTYCISRC-KRWDZBQOSA-N 0 3 384.524 3.713 20 10 GHCDHN CCS(=O)(=O)c1ccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)cc1 ZINC000850238618 876751388 /nfs/dbraw/zinc/75/13/88/876751388.db2.gz LCSISWVGXXKSOI-UHFFFAOYSA-N 0 3 391.533 3.782 20 10 GHCDHN Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])c1 ZINC000786578308 876766982 /nfs/dbraw/zinc/76/69/82/876766982.db2.gz GDERGIFDEKKUIU-JOCHJYFZSA-N 0 3 377.484 3.973 20 10 GHCDHN Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000786579912 876768753 /nfs/dbraw/zinc/76/87/53/876768753.db2.gz WZIKOBUYJZXVGQ-QFIPXVFZSA-N 0 3 377.484 3.973 20 10 GHCDHN COc1ccc(N2CC[C@H](NCc3cnc(-c4ccccc4OC)nc3)C2)cc1 ZINC000850347710 876838565 /nfs/dbraw/zinc/83/85/65/876838565.db2.gz WKDOSQAXRLLJBE-SFHVURJKSA-N 0 3 390.487 3.529 20 10 GHCDHN O=C(N1CC[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2C1)C(F)(F)F ZINC000850430982 876913889 /nfs/dbraw/zinc/91/38/89/876913889.db2.gz XOYMGZKBJKUHQP-GOSISDBHSA-N 0 3 390.405 3.747 20 10 GHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(-n4cncn4)cc3Cl)C2)cc1 ZINC000850489424 876966563 /nfs/dbraw/zinc/96/65/63/876966563.db2.gz UEFFXQYSLZRRIE-CVEARBPZSA-N 0 3 397.910 3.859 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnn1-c1ccccc1 ZINC000850568026 877036221 /nfs/dbraw/zinc/03/62/21/877036221.db2.gz OBEQHRDDBJQYDE-GOSISDBHSA-N 0 3 376.504 3.684 20 10 GHCDHN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000850759072 877144766 /nfs/dbraw/zinc/14/47/66/877144766.db2.gz GFRNKLBWQBZGMU-JOCHJYFZSA-N 0 3 396.535 3.858 20 10 GHCDHN CC(C)CNC(=O)c1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000109761659 877424111 /nfs/dbraw/zinc/42/41/11/877424111.db2.gz UIODXWCKKJPSTK-JOCHJYFZSA-N 0 3 396.531 3.959 20 10 GHCDHN C[C@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000179648304 877800920 /nfs/dbraw/zinc/80/09/20/877800920.db2.gz JGQAHYRABBZFMO-QGZVFWFLSA-N 0 3 393.443 3.726 20 10 GHCDHN C[C@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000179648304 877800925 /nfs/dbraw/zinc/80/09/25/877800925.db2.gz JGQAHYRABBZFMO-QGZVFWFLSA-N 0 3 393.443 3.726 20 10 GHCDHN COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1F ZINC000854229463 879647607 /nfs/dbraw/zinc/64/76/07/879647607.db2.gz OIHCHKIDWWSZSI-MIUNTBIASA-N 0 3 380.410 3.614 20 10 GHCDHN CCN(C)c1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000790948596 880093488 /nfs/dbraw/zinc/09/34/88/880093488.db2.gz LCKXWQBETDZSEJ-IRXDYDNUSA-N 0 3 386.515 3.580 20 10 GHCDHN CCOc1ccc(C[NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)c([O-])c1 ZINC000790995388 880123539 /nfs/dbraw/zinc/12/35/39/880123539.db2.gz OHAIEVQTDWOMDX-UHFFFAOYSA-N 0 3 398.484 3.991 20 10 GHCDHN COc1cc(C)cc(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC001183561229 912629771 /nfs/dbraw/zinc/62/97/71/912629771.db2.gz OUKCLSLIIBDCMA-UHFFFAOYSA-N 0 3 376.497 3.542 20 10 GHCDHN COc1ccc(N2CCN(Cc3ccc(-n4ccnc4)cc3C)CC2)cc1F ZINC000792242138 881000426 /nfs/dbraw/zinc/00/04/26/881000426.db2.gz OJWWPOXZJZUCKV-UHFFFAOYSA-N 0 3 380.467 3.651 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC(C(=O)N3CCCCCC3)CC2)c1O ZINC000184675547 883373149 /nfs/dbraw/zinc/37/31/49/883373149.db2.gz HJJGJWBKFZBSCW-UHFFFAOYSA-N 0 3 380.916 3.669 20 10 GHCDHN COC(=O)c1csc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000286342008 912701198 /nfs/dbraw/zinc/70/11/98/912701198.db2.gz YISRTAPSATYTBV-OAHLLOKOSA-N 0 3 388.533 3.594 20 10 GHCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000807402630 885430322 /nfs/dbraw/zinc/43/03/22/885430322.db2.gz JGQWWKIUCXZLAC-AVRDEDQJSA-N 0 3 382.552 3.976 20 10 GHCDHN O=C(N[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1)c1ccc(Cl)cc1 ZINC001184047039 912984811 /nfs/dbraw/zinc/98/48/11/912984811.db2.gz ZMJOIQDXUBWUHW-HNNXBMFYSA-N 0 3 380.822 3.718 20 10 GHCDHN O=C(N[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1)c1ccc(Cl)cc1 ZINC001184047039 912984816 /nfs/dbraw/zinc/98/48/16/912984816.db2.gz ZMJOIQDXUBWUHW-HNNXBMFYSA-N 0 3 380.822 3.718 20 10 GHCDHN Cc1ccc(C[NH+]2CCC3(CO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC001184087405 912992056 /nfs/dbraw/zinc/99/20/56/912992056.db2.gz CLFBQXXICQKSNW-SFHVURJKSA-N 0 3 390.524 3.596 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cnc4ccccc4n3)C2)cc1 ZINC000862285369 886278217 /nfs/dbraw/zinc/27/82/17/886278217.db2.gz KLLQFDFAKMJLHM-OAHLLOKOSA-N 0 3 384.430 3.990 20 10 GHCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3cnc4ccccc4n3)C2)cc1 ZINC000862285366 886278736 /nfs/dbraw/zinc/27/87/36/886278736.db2.gz KLLQFDFAKMJLHM-HNNXBMFYSA-N 0 3 384.430 3.990 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1[O-] ZINC000808695418 886713337 /nfs/dbraw/zinc/71/33/37/886713337.db2.gz KTLSOSBKOKUHQI-IAGOWNOFSA-N 0 3 388.943 3.610 20 10 GHCDHN C[C@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000808730515 886745827 /nfs/dbraw/zinc/74/58/27/886745827.db2.gz XAJAHBMLQSJQJF-YOEHRIQHSA-N 0 3 390.886 3.970 20 10 GHCDHN CN1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000179126468 887121382 /nfs/dbraw/zinc/12/13/82/887121382.db2.gz OCDBMDZKRIANAY-YADHBBJMSA-N 0 3 378.520 3.531 20 10 GHCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1OC ZINC000810254337 888358558 /nfs/dbraw/zinc/35/85/58/888358558.db2.gz BRDSCJAVZZDCPE-DHZVRSILSA-N 0 3 389.467 3.680 20 10 GHCDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866484799 888901786 /nfs/dbraw/zinc/90/17/86/888901786.db2.gz DVMZFMNNOOQODC-KGLIPLIRSA-N 0 3 385.439 3.921 20 10 GHCDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000873020887 891433429 /nfs/dbraw/zinc/43/34/29/891433429.db2.gz DOIIFPAKAFBKKD-UHFFFAOYSA-N 0 3 387.455 3.602 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000813785115 891968662 /nfs/dbraw/zinc/96/86/62/891968662.db2.gz IBDTUNPVYACWCY-HNNXBMFYSA-N 0 3 376.497 3.813 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000813787339 891971884 /nfs/dbraw/zinc/97/18/84/891971884.db2.gz CSFRCMIYKDHYTA-SFHVURJKSA-N 0 3 376.497 3.670 20 10 GHCDHN CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C2CC2)cc1 ZINC000918060071 893074991 /nfs/dbraw/zinc/07/49/91/893074991.db2.gz AOCMIIRPRAMWTN-NRFANRHFSA-N 0 3 392.547 3.701 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(c3ccccc3)CC2(C)C)N(C)C)cc1 ZINC001134686859 893202269 /nfs/dbraw/zinc/20/22/69/893202269.db2.gz YLGAAYZJWVLSEN-XUZZJYLKSA-N 0 3 379.548 3.839 20 10 GHCDHN C[C@@H](NCc1ccnc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000815082501 893431491 /nfs/dbraw/zinc/43/14/91/893431491.db2.gz VEKCTXKGAMWVRB-CQSZACIVSA-N 0 3 376.298 3.532 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cccc(OCC(F)F)c3)cc2)CC1 ZINC000877023610 893442472 /nfs/dbraw/zinc/44/24/72/893442472.db2.gz XXLIWHAIJLJZKP-UHFFFAOYSA-N 0 3 376.447 3.581 20 10 GHCDHN C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccccc1[O-] ZINC000877757345 893794003 /nfs/dbraw/zinc/79/40/03/893794003.db2.gz ROACEFSMMCANON-HNNXBMFYSA-N 0 3 379.460 3.805 20 10 GHCDHN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757207 893794024 /nfs/dbraw/zinc/79/40/24/893794024.db2.gz NUBNTYBYBRISOX-GJZGRUSLSA-N 0 3 381.476 3.809 20 10 GHCDHN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000877757361 893795835 /nfs/dbraw/zinc/79/58/35/893795835.db2.gz TVUYRLLQBVTYGW-GDAAHCPNSA-N 0 3 390.524 3.847 20 10 GHCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1 ZINC000816624936 894954836 /nfs/dbraw/zinc/95/48/36/894954836.db2.gz LZTFGCQCASZOIH-HXUWFJFHSA-N 0 3 383.492 3.621 20 10 GHCDHN CCCNCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817962241 895978076 /nfs/dbraw/zinc/97/80/76/895978076.db2.gz JUVISEIGISLLIP-VIFPVBQESA-N 0 3 380.124 3.567 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3c(Cl)n(C)nc3C(C)C)C2)cc1 ZINC000818222272 896089236 /nfs/dbraw/zinc/08/92/36/896089236.db2.gz WFJQKFJTDFQGEX-HNNXBMFYSA-N 0 3 376.932 3.822 20 10 GHCDHN COc1cc(Br)cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000824463012 899644315 /nfs/dbraw/zinc/64/43/15/899644315.db2.gz YOWSCZCJVYCHAZ-JTQLQIEISA-N 0 3 381.226 3.922 20 10 GHCDHN O=C(NCc1ccc(N2CCCC2)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000046984115 901216334 /nfs/dbraw/zinc/21/63/34/901216334.db2.gz VQHQMRZKMWYJQO-UHFFFAOYSA-N 0 3 392.547 3.704 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000886747023 901251555 /nfs/dbraw/zinc/25/15/55/901251555.db2.gz JATPNGHNZOPUIV-HXUWFJFHSA-N 0 3 399.535 3.854 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(C)ccc1OC ZINC000886749603 901254157 /nfs/dbraw/zinc/25/41/57/901254157.db2.gz XOVYQCHFVKOOSS-QFIPXVFZSA-N 0 3 395.547 3.946 20 10 GHCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000846152441 902722538 /nfs/dbraw/zinc/72/25/38/902722538.db2.gz UBOYEEDLOFRYSN-BLLLJJGKSA-N 0 3 394.393 3.876 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1[O-] ZINC000779004571 902731104 /nfs/dbraw/zinc/73/11/04/902731104.db2.gz RCNPRFZGRJBTBD-NSHDSACASA-N 0 3 383.252 3.998 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1[O-] ZINC000779013476 902803490 /nfs/dbraw/zinc/80/34/90/902803490.db2.gz RGPXHOBXVQLPLF-IUODEOHRSA-N 0 3 398.272 3.693 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1[O-] ZINC000779031220 903197838 /nfs/dbraw/zinc/19/78/38/903197838.db2.gz YTGBZGLGILLYNG-WBAXXEDZSA-N 0 3 397.357 3.757 20 10 GHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000151512790 904145366 /nfs/dbraw/zinc/14/53/66/904145366.db2.gz KBEZTMNVPLKGRF-CYBMUJFWSA-N 0 3 377.529 3.965 20 10 GHCDHN Cc1n[nH]cc1[C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779165335 905089244 /nfs/dbraw/zinc/08/92/44/905089244.db2.gz PMYOQSXJIYWVEG-IFXJQAMLSA-N 0 3 387.528 3.701 20 10 GHCDHN CN(C)Cc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1 ZINC001176293343 908016906 /nfs/dbraw/zinc/01/69/06/908016906.db2.gz KYJXHUIPLQTUNL-UHFFFAOYSA-N 0 3 387.483 3.751 20 10 GHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(CCCN4CCOCC4)CC3)c2c1 ZINC000779877981 909057853 /nfs/dbraw/zinc/05/78/53/909057853.db2.gz VQTIAPXAZCRYHN-UHFFFAOYSA-N 0 3 398.547 3.878 20 10 GHCDHN Cn1cnc2cc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc21 ZINC001179598157 909601756 /nfs/dbraw/zinc/60/17/56/909601756.db2.gz LXQGSXKHOFFSJT-UHFFFAOYSA-N 0 3 379.464 3.762 20 10 GHCDHN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2ccccc12 ZINC001180179732 909977698 /nfs/dbraw/zinc/97/76/98/909977698.db2.gz RMNZPQXGRFDPGZ-JOCHJYFZSA-N 0 3 391.515 3.947 20 10 GHCDHN C[N@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001180558435 910237322 /nfs/dbraw/zinc/23/73/22/910237322.db2.gz NSZCGDDRKJJNAO-GOSISDBHSA-N 0 3 375.310 3.861 20 10 GHCDHN C[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001180558435 910237332 /nfs/dbraw/zinc/23/73/32/910237332.db2.gz NSZCGDDRKJJNAO-GOSISDBHSA-N 0 3 375.310 3.861 20 10 GHCDHN Fc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCO2)c1 ZINC000092666892 911689575 /nfs/dbraw/zinc/68/95/75/911689575.db2.gz MVITWBSCPPNTCK-HSZRJFAPSA-N 0 3 384.495 3.844 20 10 GHCDHN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774478550 911783721 /nfs/dbraw/zinc/78/37/21/911783721.db2.gz HELZEDIMUWVUEU-HZPDHXFCSA-N 0 3 387.499 3.598 20 10 GHCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000801964785 921696382 /nfs/dbraw/zinc/69/63/82/921696382.db2.gz UPTGTQNWVODVPE-NRFANRHFSA-N 0 3 383.536 3.877 20 10 GHCDHN COC1CCN(c2ccc(CN[C@]3(CO)CCCc4ccccc43)cc2)CC1 ZINC000295265628 917238536 /nfs/dbraw/zinc/23/85/36/917238536.db2.gz HIUXDGWTHXDNNM-DEOSSOPVSA-N 0 3 380.532 3.616 20 10 GHCDHN COC(=O)c1cnc([C@@H]2CCCN(Cc3cc(Cl)cc(OC)c3O)C2)s1 ZINC000827942794 926351029 /nfs/dbraw/zinc/35/10/29/926351029.db2.gz SCRJVSZMPAZRNQ-LLVKDONJSA-N 0 3 396.896 3.677 20 10 GHCDHN O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725850085 926467486 /nfs/dbraw/zinc/46/74/86/926467486.db2.gz JGUPHDXDBUUNCQ-UHFFFAOYSA-N 0 3 378.447 3.647 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000753566022 929420776 /nfs/dbraw/zinc/42/07/76/929420776.db2.gz MFSRCDHNXZQORW-UHFFFAOYSA-N 0 3 375.468 3.591 20 10 GHCDHN Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc2c(c1)CCCN2C ZINC000753642594 929458091 /nfs/dbraw/zinc/45/80/91/929458091.db2.gz BWVLXPXSEKITGS-QHCPKHFHSA-N 0 3 379.548 3.541 20 10 GHCDHN C[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000753764157 929523405 /nfs/dbraw/zinc/52/34/05/929523405.db2.gz RROMQEDXTIJAGN-YLJYHZDGSA-N 0 3 388.939 3.821 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000759157552 930293077 /nfs/dbraw/zinc/29/30/77/930293077.db2.gz KPXMSJSLHBDRHL-FOIQADDNSA-N 0 3 379.460 3.612 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000759157552 930293090 /nfs/dbraw/zinc/29/30/90/930293090.db2.gz KPXMSJSLHBDRHL-FOIQADDNSA-N 0 3 379.460 3.612 20 10 GHCDHN COc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000797418548 932276743 /nfs/dbraw/zinc/27/67/43/932276743.db2.gz SXTDECYXHVWEBB-ZMPRRUGASA-N 0 3 377.525 3.857 20 10 GHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cnc1Br ZINC000930212143 933895390 /nfs/dbraw/zinc/89/53/90/933895390.db2.gz YLSUBFFFIBRZCP-HNNXBMFYSA-N 0 3 390.325 3.840 20 10 GHCDHN COC(=O)[C@@H](C)[C@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1ccccc1 ZINC000828364819 935620713 /nfs/dbraw/zinc/62/07/13/935620713.db2.gz KFFNTTGBOYMEPK-MBSDFSHPSA-N 0 3 396.531 3.942 20 10 GHCDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000828669991 935687083 /nfs/dbraw/zinc/68/70/83/935687083.db2.gz WOKLLMVMROVPGC-OAHLLOKOSA-N 0 3 388.895 3.814 20 10 GHCDHN O=C(c1cc([O-])cs1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000829371151 935802454 /nfs/dbraw/zinc/80/24/54/935802454.db2.gz UYHKXSOQTWRLCP-HNNXBMFYSA-N 0 3 398.450 3.980 20 10 GHCDHN O=C(c1cc([O-])cs1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000829371151 935802455 /nfs/dbraw/zinc/80/24/55/935802455.db2.gz UYHKXSOQTWRLCP-HNNXBMFYSA-N 0 3 398.450 3.980 20 10 GHCDHN O=C(C1=CC(=O)CS1)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000829371151 935802457 /nfs/dbraw/zinc/80/24/57/935802457.db2.gz UYHKXSOQTWRLCP-HNNXBMFYSA-N 0 3 398.450 3.980 20 10 GHCDHN [O-]c1cccc(F)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001137834898 935814055 /nfs/dbraw/zinc/81/40/55/935814055.db2.gz XYXVPUQUFKVUDW-PGRDOPGGSA-N 0 3 386.467 3.514 20 10 GHCDHN [O-]c1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001137834898 935814056 /nfs/dbraw/zinc/81/40/56/935814056.db2.gz XYXVPUQUFKVUDW-PGRDOPGGSA-N 0 3 386.467 3.514 20 10 GHCDHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137858949 935829683 /nfs/dbraw/zinc/82/96/83/935829683.db2.gz BJDAQKUOCHASJQ-QFIPXVFZSA-N 0 3 383.536 3.553 20 10 GHCDHN CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191308 1032331555 /nfs/dbraw/zinc/33/15/55/1032331555.db2.gz JOTIUNOVKZPFRA-IFXJQAMLSA-N 0 3 395.341 3.686 20 10 GHCDHN CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(C)c(Br)cc3[O-])C2)C1=O ZINC001277191308 1032331565 /nfs/dbraw/zinc/33/15/65/1032331565.db2.gz JOTIUNOVKZPFRA-IFXJQAMLSA-N 0 3 395.341 3.686 20 10 GHCDHN O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204272516 1032717154 /nfs/dbraw/zinc/71/71/54/1032717154.db2.gz CCGXCUWVDMLQTI-UHFFFAOYSA-N 0 3 386.517 3.678 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276591 1032717725 /nfs/dbraw/zinc/71/77/25/1032717725.db2.gz NZEWBNFFAWRIEW-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276591 1032717736 /nfs/dbraw/zinc/71/77/36/1032717736.db2.gz NZEWBNFFAWRIEW-NRFANRHFSA-N 0 3 376.497 3.853 20 10 GHCDHN CC(C)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(O)c3c1C(=O)c1ccccc1C3=O)C2 ZINC001228217234 1032846248 /nfs/dbraw/zinc/84/62/48/1032846248.db2.gz VAEBPVXPKVCMIZ-ZSHCYNCHSA-N 0 3 391.467 3.950 20 10 GHCDHN CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140338292 1021443824 /nfs/dbraw/zinc/44/38/24/1021443824.db2.gz DPRDCLSKBRWCFD-INIZCTEOSA-N 0 3 390.911 3.894 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)CC2 ZINC000834783733 1021467529 /nfs/dbraw/zinc/46/75/29/1021467529.db2.gz NGXUTFKKBCLMMS-CXAGYDPISA-N 0 3 376.294 3.583 20 10 GHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)CC2 ZINC000834783850 1021471664 /nfs/dbraw/zinc/47/16/64/1021471664.db2.gz OGLZRBZPJYRDLW-WMLDXEAASA-N 0 3 376.294 3.583 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c2c1c(F)ccc2[O-] ZINC000834904867 1021656135 /nfs/dbraw/zinc/65/61/35/1021656135.db2.gz SJQJKPDNLPMGQP-IJEWVQPXSA-N 0 3 394.487 3.695 20 10 GHCDHN COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834905837 1021656622 /nfs/dbraw/zinc/65/66/22/1021656622.db2.gz VCWLJQMWGWSYTA-KBPBESRZSA-N 0 3 394.309 3.665 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c1[O-] ZINC000834914357 1021677680 /nfs/dbraw/zinc/67/76/80/1021677680.db2.gz UERJRZROFUQQLC-BJJXKVORSA-N 0 3 394.313 3.768 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067749 1021848893 /nfs/dbraw/zinc/84/88/93/1021848893.db2.gz BFTVRVDNTQSCQN-NVXWUHKLSA-N 0 3 378.513 3.774 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000835067749 1021848913 /nfs/dbraw/zinc/84/89/13/1021848913.db2.gz BFTVRVDNTQSCQN-NVXWUHKLSA-N 0 3 378.513 3.774 20 10 GHCDHN Cc1ccc(O)c(CN2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC001140620931 1022092051 /nfs/dbraw/zinc/09/20/51/1022092051.db2.gz IGXIASJLVLJKJD-UHFFFAOYSA-N 0 3 375.310 3.781 20 10 GHCDHN COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725845151 1022386554 /nfs/dbraw/zinc/38/65/54/1022386554.db2.gz PXKIIIMXLGIDDC-JOCHJYFZSA-N 0 3 379.456 3.900 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC(C)C)c1cccs1)cc2=O ZINC000754294599 1022590100 /nfs/dbraw/zinc/59/01/00/1022590100.db2.gz ZWFLUFWGIGSPFY-HNNXBMFYSA-N 0 3 388.493 3.550 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000756448190 1023655549 /nfs/dbraw/zinc/65/55/49/1023655549.db2.gz AEXVKGSFCFSTGT-PBFPGSCMSA-N 0 3 392.496 3.681 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cc(C)ccc2O)s1 ZINC000756477555 1023676488 /nfs/dbraw/zinc/67/64/88/1023676488.db2.gz BGFICDRFTCCSAV-CQSZACIVSA-N 0 3 382.551 3.643 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000756509752 1023691541 /nfs/dbraw/zinc/69/15/41/1023691541.db2.gz DYNCLYFIANESQZ-MNEFBYGVSA-N 0 3 382.479 3.903 20 10 GHCDHN COc1ccc(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c(OC)c1OC ZINC000756534921 1023702593 /nfs/dbraw/zinc/70/25/93/1023702593.db2.gz MCFCLJVVIAYWPS-DOMZBBRYSA-N 0 3 375.440 3.938 20 10 GHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000756537603 1023704371 /nfs/dbraw/zinc/70/43/71/1023704371.db2.gz YJVXGOSDCVEHMA-PBFPGSCMSA-N 0 3 392.496 3.681 20 10 GHCDHN COc1cc(OC)c(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000756554929 1023712457 /nfs/dbraw/zinc/71/24/57/1023712457.db2.gz ORXGITHFEDGSPF-WBMJQRKESA-N 0 3 375.440 3.938 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756605074 1023733343 /nfs/dbraw/zinc/73/33/43/1023733343.db2.gz QGRIOBIGROOESE-QOJCHSLYSA-N 0 3 384.495 3.552 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756678125 1023770974 /nfs/dbraw/zinc/77/09/74/1023770974.db2.gz UWPFQXXHJJSAQS-HFAKWTLXSA-N 0 3 376.378 3.753 20 10 GHCDHN Oc1c(CN2CCN(c3ccccc3F)CC2)cc2c3c1CCCN3CCC2 ZINC001138337627 1024699313 /nfs/dbraw/zinc/69/93/13/1024699313.db2.gz UTKLTEPLRVJJPG-UHFFFAOYSA-N 0 3 381.495 3.552 20 10 GHCDHN CN1CCCc2cc(CN3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)ccc21 ZINC001138357578 1024721617 /nfs/dbraw/zinc/72/16/17/1024721617.db2.gz SBWRWCUIRVHVFC-JOCHJYFZSA-N 0 3 389.543 3.565 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCN(c3cccc(C)n3)CC2)c(OC)c1 ZINC001138388921 1024764684 /nfs/dbraw/zinc/76/46/84/1024764684.db2.gz ASZXEWUQMRMVTC-UHFFFAOYSA-N 0 3 382.552 3.957 20 10 GHCDHN Brc1cc(CN2CC[C@H]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001138676917 1025203065 /nfs/dbraw/zinc/20/30/65/1025203065.db2.gz ZUKKNMHWRBKKPU-SJORKVTESA-N 0 3 379.342 3.908 20 10 GHCDHN C[C@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000838782963 1025363246 /nfs/dbraw/zinc/36/32/46/1025363246.db2.gz GETCGIPODVPIFH-SIKLNZKXSA-N 0 3 396.531 3.799 20 10 GHCDHN C[C@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000838782963 1025363260 /nfs/dbraw/zinc/36/32/60/1025363260.db2.gz GETCGIPODVPIFH-SIKLNZKXSA-N 0 3 396.531 3.799 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000839187098 1025702099 /nfs/dbraw/zinc/70/20/99/1025702099.db2.gz QJPZBWDDCPYGGP-HRCADAONSA-N 0 3 376.497 3.526 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc(-c4ccno4)cc3)CC2)cc1 ZINC001164334140 1026488892 /nfs/dbraw/zinc/48/88/92/1026488892.db2.gz OODZXMDMPAUPMC-UHFFFAOYSA-N 0 3 392.503 3.974 20 10 GHCDHN OC1CCN(c2ccc(CNCc3cc(Br)cs3)cc2F)CC1 ZINC000098173799 1026745035 /nfs/dbraw/zinc/74/50/35/1026745035.db2.gz PFUOEPFBPWTFOU-UHFFFAOYSA-N 0 3 399.329 3.901 20 10 GHCDHN CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140054629 1026833625 /nfs/dbraw/zinc/83/36/25/1026833625.db2.gz UEZXDYOUVLGELW-FQEVSTJZSA-N 0 3 382.479 3.902 20 10 GHCDHN CNC(=O)N[C@H]1CC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)c2ccc(C)cc21 ZINC001140054446 1026834125 /nfs/dbraw/zinc/83/41/25/1026834125.db2.gz QOVNWARVAIVORI-FQEVSTJZSA-N 0 3 397.494 3.747 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001140055799 1026835079 /nfs/dbraw/zinc/83/50/79/1026835079.db2.gz VPGZOUNNTUCWHG-IBGZPJMESA-N 0 3 395.400 3.803 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001140055799 1026835085 /nfs/dbraw/zinc/83/50/85/1026835085.db2.gz VPGZOUNNTUCWHG-IBGZPJMESA-N 0 3 395.400 3.803 20 10 GHCDHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140098809 1026874499 /nfs/dbraw/zinc/87/44/99/1026874499.db2.gz MCEYCVYDJLLVEH-MRXNPFEDSA-N 0 3 375.310 3.861 20 10 GHCDHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140098809 1026874507 /nfs/dbraw/zinc/87/45/07/1026874507.db2.gz MCEYCVYDJLLVEH-MRXNPFEDSA-N 0 3 375.310 3.861 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001203555754 1027432754 /nfs/dbraw/zinc/43/27/54/1027432754.db2.gz HGMOBVYQHZZVCK-AWEZNQCLSA-N 0 3 390.505 3.788 20 10 GHCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccccc1C(F)(F)F ZINC001203563309 1027436735 /nfs/dbraw/zinc/43/67/35/1027436735.db2.gz YSEPBHXQKWLMCX-UHFFFAOYSA-N 0 3 378.394 3.805 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203875198 1027676164 /nfs/dbraw/zinc/67/61/64/1027676164.db2.gz JXCDKVCXUYIXRS-OAQYLSRUSA-N 0 3 376.497 3.853 20 10 GHCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1 ZINC001203945484 1027740496 /nfs/dbraw/zinc/74/04/96/1027740496.db2.gz NNXRKHRSPKBRIV-QGZVFWFLSA-N 0 3 394.441 3.995 20 10 GHCDHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000840959291 1027991968 /nfs/dbraw/zinc/99/19/68/1027991968.db2.gz QLGXZQDBNBFUFJ-UYAOXDASSA-N 0 3 390.524 3.677 20 10 GHCDHN c1ccc([C@@H]2N(Cc3ccc(N4CCOCC4)cc3)CC23CCOCC3)cc1 ZINC000840964241 1028000074 /nfs/dbraw/zinc/00/00/74/1028000074.db2.gz VAKQFNPPMNRHJN-QHCPKHFHSA-N 0 3 378.516 3.877 20 10 GHCDHN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000840975261 1028016043 /nfs/dbraw/zinc/01/60/43/1028016043.db2.gz VFVVUSUNVIPOGG-NRFANRHFSA-N 0 3 394.515 3.948 20 10 GHCDHN O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000840975261 1028016063 /nfs/dbraw/zinc/01/60/63/1028016063.db2.gz VFVVUSUNVIPOGG-NRFANRHFSA-N 0 3 394.515 3.948 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C(=O)NCc4ccccc4)C3)c2c1 ZINC000842633620 1029440500 /nfs/dbraw/zinc/44/05/00/1029440500.db2.gz BVOOVPWQDDYNQR-LJQANCHMSA-N 0 3 390.483 3.692 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C(=O)NCc4ccccc4)C3)c2c1 ZINC000842633620 1029440510 /nfs/dbraw/zinc/44/05/10/1029440510.db2.gz BVOOVPWQDDYNQR-LJQANCHMSA-N 0 3 390.483 3.692 20 10 GHCDHN C=CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC001153553161 1031646317 /nfs/dbraw/zinc/64/63/17/1031646317.db2.gz ZNOVFOVCPLGQIF-UHFFFAOYSA-N 0 3 392.503 3.594 20 10 GHCDHN Cc1c(C(=O)N(C)C[C@@H]2CNCCO2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001157720404 1033737716 /nfs/dbraw/zinc/73/77/16/1033737716.db2.gz IMLBGELDQHOKCT-NRFANRHFSA-N 0 3 389.499 3.513 20 10 GHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c1[O-] ZINC001277436880 1033835260 /nfs/dbraw/zinc/83/52/60/1033835260.db2.gz BXYSLBYCPMRMOI-CQSZACIVSA-N 0 3 390.833 3.635 20 10 GHCDHN C[C@@](CO)(NCc1ccc(OCc2ccccc2)cc1O)c1cccc(O)c1 ZINC001206742990 1033966044 /nfs/dbraw/zinc/96/60/44/1033966044.db2.gz OHJLZXDTFDUXIL-QHCPKHFHSA-N 0 3 379.456 3.674 20 10 GHCDHN CCN(CC)C[C@H](C)Oc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O ZINC001231185176 1034450844 /nfs/dbraw/zinc/45/08/44/1034450844.db2.gz SDCIZYKYBRFFDT-AWEZNQCLSA-N 0 3 394.471 3.530 20 10 GHCDHN CCN(CC)C[C@@H](C)Oc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O ZINC001231185178 1034451046 /nfs/dbraw/zinc/45/10/46/1034451046.db2.gz SDCIZYKYBRFFDT-CQSZACIVSA-N 0 3 394.471 3.530 20 10 GHCDHN Cc1nccnc1O[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468903 1034614059 /nfs/dbraw/zinc/61/40/59/1034614059.db2.gz ICHMYXDEIHQALK-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1nccnc1O[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468903 1034614070 /nfs/dbraw/zinc/61/40/70/1034614070.db2.gz ICHMYXDEIHQALK-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN CC(C)n1nc(CN(C)C)c2c1CN(Cc1ccc3ccccc3c1O)CC2 ZINC001231878472 1034963028 /nfs/dbraw/zinc/96/30/28/1034963028.db2.gz LDPHSGIQWKIYKU-UHFFFAOYSA-N 0 3 378.520 3.943 20 10 GHCDHN Cc1nc2c(c(N[C@H](c3ccccc3O)[C@H]([NH3+])c3ccccc3[O-])n1)CCC2 ZINC001160624961 1035019704 /nfs/dbraw/zinc/01/97/04/1035019704.db2.gz YWMJMVMQICNNML-NHCUHLMSSA-N 0 3 376.460 3.538 20 10 GHCDHN CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202251 1035159202 /nfs/dbraw/zinc/15/92/02/1035159202.db2.gz WMBXNRLTJXWXNX-UHFFFAOYSA-N 0 3 397.947 3.523 20 10 GHCDHN CN(C)c1ccc(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c(O)c1 ZINC001232842024 1038592270 /nfs/dbraw/zinc/59/22/70/1038592270.db2.gz XKIYVPCTAZMXRL-UHFFFAOYSA-N 0 3 395.425 3.679 20 10 GHCDHN CN(C)c1ccc(CN2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)c(O)c1 ZINC001232841202 1038592810 /nfs/dbraw/zinc/59/28/10/1038592810.db2.gz XUZANXFRJXKQTM-UHFFFAOYSA-N 0 3 384.451 3.597 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1[O-] ZINC001233106470 1038893833 /nfs/dbraw/zinc/89/38/33/1038893833.db2.gz HYJAUNLOTJDWTF-UHFFFAOYSA-N 0 3 378.266 3.866 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1[O-] ZINC001233106470 1038893850 /nfs/dbraw/zinc/89/38/50/1038893850.db2.gz HYJAUNLOTJDWTF-UHFFFAOYSA-N 0 3 378.266 3.866 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC001233110349 1038900647 /nfs/dbraw/zinc/90/06/47/1038900647.db2.gz BHAKZORYWMJUGO-ZIAGYGMSSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC001233110349 1038900655 /nfs/dbraw/zinc/90/06/55/1038900655.db2.gz BHAKZORYWMJUGO-ZIAGYGMSSA-N 0 3 384.314 3.874 20 10 GHCDHN Cc1ccc([C@@H]2C[C@H]2NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001252213026 1038905318 /nfs/dbraw/zinc/90/53/18/1038905318.db2.gz FDICEKVDUMLFNC-BHDDXSALSA-N 0 3 380.536 3.519 20 10 GHCDHN COC(=O)[C@H](C(C)C)N(C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001233195448 1038961467 /nfs/dbraw/zinc/96/14/67/1038961467.db2.gz JCRBEGXUHDGHFQ-KRWDZBQOSA-N 0 3 380.282 3.937 20 10 GHCDHN O=C1CCC2(CC[NH+](Cc3c([O-])ccc4cc(Br)ccc43)CC2)N1 ZINC001233198309 1038963296 /nfs/dbraw/zinc/96/32/96/1038963296.db2.gz FJPDHQFOHVKSHL-UHFFFAOYSA-N 0 3 389.293 3.553 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC12CC2 ZINC001233198221 1038963663 /nfs/dbraw/zinc/96/36/63/1038963663.db2.gz AACKKAKVCJXLKW-MRXNPFEDSA-N 0 3 390.277 3.693 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC12CC2 ZINC001233198221 1038963666 /nfs/dbraw/zinc/96/36/66/1038963666.db2.gz AACKKAKVCJXLKW-MRXNPFEDSA-N 0 3 390.277 3.693 20 10 GHCDHN COc1cc(Cl)cc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001233288164 1039067683 /nfs/dbraw/zinc/06/76/83/1039067683.db2.gz ABEZKDDWEHSQPZ-FXAWDEMLSA-N 0 3 381.900 3.604 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC001233288056 1039067975 /nfs/dbraw/zinc/06/79/75/1039067975.db2.gz TVCJCIJHLCQWBH-ZDUSSCGKSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC001233288056 1039067993 /nfs/dbraw/zinc/06/79/93/1039067993.db2.gz TVCJCIJHLCQWBH-ZDUSSCGKSA-N 0 3 396.915 3.743 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1[O-] ZINC001233289082 1039071291 /nfs/dbraw/zinc/07/12/91/1039071291.db2.gz JDCBGVJCTUBXCD-IBGZPJMESA-N 0 3 392.908 3.745 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1[O-] ZINC001233289082 1039071313 /nfs/dbraw/zinc/07/13/13/1039071313.db2.gz JDCBGVJCTUBXCD-IBGZPJMESA-N 0 3 392.908 3.745 20 10 GHCDHN [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001233333893 1039134353 /nfs/dbraw/zinc/13/43/53/1039134353.db2.gz LJUPLSAYSLOGBA-UHFFFAOYSA-N 0 3 388.458 3.537 20 10 GHCDHN CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727196 1039570371 /nfs/dbraw/zinc/57/03/71/1039570371.db2.gz KGONVPQFJRUQEY-QGZVFWFLSA-N 0 3 375.387 3.846 20 10 GHCDHN CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233727196 1039570391 /nfs/dbraw/zinc/57/03/91/1039570391.db2.gz KGONVPQFJRUQEY-QGZVFWFLSA-N 0 3 375.387 3.846 20 10 GHCDHN COc1ccccc1O[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754427 1039592083 /nfs/dbraw/zinc/59/20/83/1039592083.db2.gz DWFWMEOKZIWZHC-CQSZACIVSA-N 0 3 383.366 3.953 20 10 GHCDHN COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754427 1039592092 /nfs/dbraw/zinc/59/20/92/1039592092.db2.gz DWFWMEOKZIWZHC-CQSZACIVSA-N 0 3 383.366 3.953 20 10 GHCDHN [O-]c1c(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cccc1OC(F)(F)F ZINC001233775869 1039606051 /nfs/dbraw/zinc/60/60/51/1039606051.db2.gz FILRWWZOKYSLTN-HOTGVXAUSA-N 0 3 378.394 3.859 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)c2c1 ZINC001234525865 1040101787 /nfs/dbraw/zinc/10/17/87/1040101787.db2.gz MBVGSLWYGIGVHP-OXJNMPFZSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)c2c1 ZINC001234525865 1040101799 /nfs/dbraw/zinc/10/17/99/1040101799.db2.gz MBVGSLWYGIGVHP-OXJNMPFZSA-N 0 3 398.503 3.995 20 10 GHCDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001234997962 1040492256 /nfs/dbraw/zinc/49/22/56/1040492256.db2.gz DCRZIXATNREUTQ-SFHVURJKSA-N 0 3 377.444 3.511 20 10 GHCDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)n1 ZINC001234997962 1040492264 /nfs/dbraw/zinc/49/22/64/1040492264.db2.gz DCRZIXATNREUTQ-SFHVURJKSA-N 0 3 377.444 3.511 20 10 GHCDHN COc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CCNC[C@H]2F)c([O-])c1Cl ZINC001235933723 1041438061 /nfs/dbraw/zinc/43/80/61/1041438061.db2.gz HSZZNWUSKJZWGK-IAGOWNOFSA-N 0 3 378.875 3.756 20 10 GHCDHN COc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CCNC[C@H]2F)c([O-])c1Cl ZINC001235933723 1041438067 /nfs/dbraw/zinc/43/80/67/1041438067.db2.gz HSZZNWUSKJZWGK-IAGOWNOFSA-N 0 3 378.875 3.756 20 10 GHCDHN COc1cc([O-])c(CN(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)c(Cl)c1 ZINC001235934423 1041438183 /nfs/dbraw/zinc/43/81/83/1041438183.db2.gz KMURFOBOPHIQLS-RTBURBONSA-N 0 3 378.875 3.756 20 10 GHCDHN COc1cc(O)c(CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1OC ZINC001236754679 1041874313 /nfs/dbraw/zinc/87/43/13/1041874313.db2.gz UFNRFJVCASNBAD-OAQYLSRUSA-N 0 3 394.512 3.536 20 10 GHCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236788385 1041894737 /nfs/dbraw/zinc/89/47/37/1041894737.db2.gz JUKAWOVYAROXDH-XMMPIXPASA-N 0 3 376.500 3.855 20 10 GHCDHN CCc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001236788385 1041894744 /nfs/dbraw/zinc/89/47/44/1041894744.db2.gz JUKAWOVYAROXDH-XMMPIXPASA-N 0 3 376.500 3.855 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809350 1041909416 /nfs/dbraw/zinc/90/94/16/1041909416.db2.gz VVBYXCPEJWEREN-QAPCUYQASA-N 0 3 376.497 3.541 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236809350 1041909420 /nfs/dbraw/zinc/90/94/20/1041909420.db2.gz VVBYXCPEJWEREN-QAPCUYQASA-N 0 3 376.497 3.541 20 10 GHCDHN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3c(C)cc(OC)cc3[O-])C1)C2 ZINC001236821917 1041916812 /nfs/dbraw/zinc/91/68/12/1041916812.db2.gz WNCKBLTXVOZOIS-HOYKHHGWSA-N 0 3 395.499 3.804 20 10 GHCDHN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3c(C)cc(OC)cc3[O-])C1)C2 ZINC001236821917 1041916813 /nfs/dbraw/zinc/91/68/13/1041916813.db2.gz WNCKBLTXVOZOIS-HOYKHHGWSA-N 0 3 395.499 3.804 20 10 GHCDHN COC(=O)c1ccccc1N1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236832644 1041921407 /nfs/dbraw/zinc/92/14/07/1041921407.db2.gz JRMFFRAOBDHYLX-UHFFFAOYSA-N 0 3 376.456 3.654 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)CC(=O)N(C)c2ccccc23)c([O-])c1 ZINC001237042269 1042002584 /nfs/dbraw/zinc/00/25/84/1042002584.db2.gz ZKJLAUFEBIDJLD-UHFFFAOYSA-N 0 3 380.488 3.691 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237049095 1042008154 /nfs/dbraw/zinc/00/81/54/1042008154.db2.gz DJULADHBCBNPTM-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001237049095 1042008161 /nfs/dbraw/zinc/00/81/61/1042008161.db2.gz DJULADHBCBNPTM-OAQYLSRUSA-N 0 3 376.497 3.766 20 10 GHCDHN COC(CN(Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1O)OC ZINC001237054053 1042012346 /nfs/dbraw/zinc/01/23/46/1042012346.db2.gz UJESQUBRUVUPFX-UHFFFAOYSA-N 0 3 399.409 3.954 20 10 GHCDHN CCc1noc([C@H]2CCC[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237059948 1042015117 /nfs/dbraw/zinc/01/51/17/1042015117.db2.gz QUPUTIMPPMMATN-ZDUSSCGKSA-N 0 3 385.386 3.658 20 10 GHCDHN CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)n1 ZINC001237059948 1042015122 /nfs/dbraw/zinc/01/51/22/1042015122.db2.gz QUPUTIMPPMMATN-ZDUSSCGKSA-N 0 3 385.386 3.658 20 10 GHCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1c1ccccc1 ZINC001237124742 1042052651 /nfs/dbraw/zinc/05/26/51/1042052651.db2.gz DIOFVMILAKBFFG-HUUCEWRRSA-N 0 3 395.377 3.679 20 10 GHCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C[C@@H]1c1ccccc1 ZINC001237124742 1042052657 /nfs/dbraw/zinc/05/26/57/1042052657.db2.gz DIOFVMILAKBFFG-HUUCEWRRSA-N 0 3 395.377 3.679 20 10 GHCDHN Oc1ccc(C(F)(F)F)cc1CN1CCC2(CCCN2c2ncccn2)CC1 ZINC001237135448 1042057352 /nfs/dbraw/zinc/05/73/52/1042057352.db2.gz IHCOEGDBDXTQCP-UHFFFAOYSA-N 0 3 392.425 3.836 20 10 GHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(CCCN2c2ncccn2)CC1 ZINC001237135448 1042057357 /nfs/dbraw/zinc/05/73/57/1042057357.db2.gz IHCOEGDBDXTQCP-UHFFFAOYSA-N 0 3 392.425 3.836 20 10 GHCDHN O=C1NCC[C@]12C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]2c1ccccc1 ZINC001237138889 1042060529 /nfs/dbraw/zinc/06/05/29/1042060529.db2.gz IFWYFNTUPMRPPR-FXAWDEMLSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1NCC[C@]12C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]2c1ccccc1 ZINC001237138889 1042060538 /nfs/dbraw/zinc/06/05/38/1042060538.db2.gz IFWYFNTUPMRPPR-FXAWDEMLSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1CC2(CN1CC1CC1)CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237143209 1042062938 /nfs/dbraw/zinc/06/29/38/1042062938.db2.gz MBTHUXHNGXEAPE-UHFFFAOYSA-N 0 3 382.426 3.636 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001237488424 1042231229 /nfs/dbraw/zinc/23/12/29/1042231229.db2.gz LPUKDXNZBLOLJR-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001237488424 1042231235 /nfs/dbraw/zinc/23/12/35/1042231235.db2.gz LPUKDXNZBLOLJR-DHIUTWEWSA-N 0 3 382.504 3.684 20 10 GHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001237487809 1042231840 /nfs/dbraw/zinc/23/18/40/1042231840.db2.gz DOLQWTLHMZMGTL-UHFFFAOYSA-N 0 3 379.504 3.614 20 10 GHCDHN CNC(=O)N[C@@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)c2ccc(C)cc21 ZINC001237488958 1042232314 /nfs/dbraw/zinc/23/23/14/1042232314.db2.gz SPAIVENLPLMRAM-OAQYLSRUSA-N 0 3 393.531 3.917 20 10 GHCDHN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1c(C)cccc1O ZINC001237489689 1042232630 /nfs/dbraw/zinc/23/26/30/1042232630.db2.gz DCLUDHZDGRAVJP-IBGZPJMESA-N 0 3 399.487 3.770 20 10 GHCDHN Cc1cnc(O[C@@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237645182 1042300945 /nfs/dbraw/zinc/30/09/45/1042300945.db2.gz ABQJUPZJUQPOSU-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)nc1 ZINC001237645182 1042300955 /nfs/dbraw/zinc/30/09/55/1042300955.db2.gz ABQJUPZJUQPOSU-HXUWFJFHSA-N 0 3 379.435 3.950 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)cc1Br ZINC001237677406 1042318607 /nfs/dbraw/zinc/31/86/07/1042318607.db2.gz MOZYMEUJPDUFMF-NHYWBVRUSA-N 0 3 396.247 3.988 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)cc1Br ZINC001237677406 1042318610 /nfs/dbraw/zinc/31/86/10/1042318610.db2.gz MOZYMEUJPDUFMF-NHYWBVRUSA-N 0 3 396.247 3.988 20 10 GHCDHN COc1cc(CN2CCC(Oc3ccc(C)cc3OC)CC2)c(O)c(OC)c1 ZINC001237678222 1042319594 /nfs/dbraw/zinc/31/95/94/1042319594.db2.gz LSMRTBRWKILGGH-UHFFFAOYSA-N 0 3 387.476 3.770 20 10 GHCDHN COC(=O)CCN(Cc1ccco1)Cc1cc(Br)c(C)cc1O ZINC001237679664 1042320592 /nfs/dbraw/zinc/32/05/92/1042320592.db2.gz UDQMXZIMIHBPQH-UHFFFAOYSA-N 0 3 382.254 3.621 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1[O-] ZINC001237683225 1042323510 /nfs/dbraw/zinc/32/35/10/1042323510.db2.gz DUQVRKPRTSPUDA-UHFFFAOYSA-N 0 3 399.922 3.877 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1[O-] ZINC001237683225 1042323515 /nfs/dbraw/zinc/32/35/15/1042323515.db2.gz DUQVRKPRTSPUDA-UHFFFAOYSA-N 0 3 399.922 3.877 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1[O-] ZINC001238063275 1042480001 /nfs/dbraw/zinc/48/00/01/1042480001.db2.gz ZDWFWGKOOZCXHW-JOCHJYFZSA-N 0 3 386.442 3.603 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)c1[O-] ZINC001238063275 1042480005 /nfs/dbraw/zinc/48/00/05/1042480005.db2.gz ZDWFWGKOOZCXHW-JOCHJYFZSA-N 0 3 386.442 3.603 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC001238065243 1042480664 /nfs/dbraw/zinc/48/06/64/1042480664.db2.gz SRRSPAQHQHIQQS-RDJZCZTQSA-N 0 3 396.478 3.915 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC001238065243 1042480666 /nfs/dbraw/zinc/48/06/66/1042480666.db2.gz SRRSPAQHQHIQQS-RDJZCZTQSA-N 0 3 396.478 3.915 20 10 GHCDHN COCCN(CCN(C)C)C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001293183156 1044055327 /nfs/dbraw/zinc/05/53/27/1044055327.db2.gz RCIAIBNASMUZKQ-UHFFFAOYSA-N 0 3 385.552 3.868 20 10 GHCDHN O=C(c1ccc([O-])c(O)c1Cl)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001279524276 1047832942 /nfs/dbraw/zinc/83/29/42/1047832942.db2.gz JLPQAKXZWIEXRL-HXUWFJFHSA-N 0 3 378.900 3.622 20 10 GHCDHN O=C(c1ccc([O-])c(O)c1Cl)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279524276 1047832948 /nfs/dbraw/zinc/83/29/48/1047832948.db2.gz JLPQAKXZWIEXRL-HXUWFJFHSA-N 0 3 378.900 3.622 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)N(C)C)cc1 ZINC001463282784 1070961672 /nfs/dbraw/zinc/96/16/72/1070961672.db2.gz PMYKFEZVWUMBMK-KZNAEPCWSA-N 0 3 385.474 3.840 20 10 GHCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000732204047 1048990913 /nfs/dbraw/zinc/99/09/13/1048990913.db2.gz AMAMBKYJYSVJEG-UHFFFAOYSA-N 0 3 395.459 3.634 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000732204047 1048990917 /nfs/dbraw/zinc/99/09/17/1048990917.db2.gz AMAMBKYJYSVJEG-UHFFFAOYSA-N 0 3 395.459 3.634 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000732204047 1048990921 /nfs/dbraw/zinc/99/09/21/1048990921.db2.gz AMAMBKYJYSVJEG-UHFFFAOYSA-N 0 3 395.459 3.634 20 10 GHCDHN COc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1Cn1cccn1 ZINC001308228296 1049919864 /nfs/dbraw/zinc/91/98/64/1049919864.db2.gz LEMGNFHKGHWUDM-PKTZIBPZSA-N 0 3 377.488 3.950 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC001308914419 1050164266 /nfs/dbraw/zinc/16/42/66/1050164266.db2.gz CIWGGFCZPBEXMQ-INIZCTEOSA-N 0 3 391.336 3.619 20 10 GHCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000757998513 1051789180 /nfs/dbraw/zinc/78/91/80/1051789180.db2.gz NIZPHNYDXOUTAE-BMGDILEWSA-N 0 3 376.497 3.526 20 10 GHCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC000757998513 1051789195 /nfs/dbraw/zinc/78/91/95/1051789195.db2.gz NIZPHNYDXOUTAE-BMGDILEWSA-N 0 3 376.497 3.526 20 10 GHCDHN Cc1cc(F)cc2c1CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC2 ZINC001313410858 1053045718 /nfs/dbraw/zinc/04/57/18/1053045718.db2.gz GHSSMKVDEUPDHA-QFIPXVFZSA-N 0 3 398.526 3.571 20 10 GHCDHN Cc1cncc([C@H]2CCCN2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001313419890 1053048978 /nfs/dbraw/zinc/04/89/78/1053048978.db2.gz VAOVGJHIPZWVMF-YADHBBJMSA-N 0 3 395.551 3.605 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCc2cccc3c2OCO3)c1O ZINC000848523916 1057148310 /nfs/dbraw/zinc/14/83/10/1057148310.db2.gz OCGLZSNUZNPMBM-JTQLQIEISA-N 0 3 380.238 3.743 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1[O-] ZINC000848526293 1057149075 /nfs/dbraw/zinc/14/90/75/1057149075.db2.gz XGJDZRFXKIMSHF-LLVKDONJSA-N 0 3 378.266 3.949 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1[O-] ZINC000848526071 1057149452 /nfs/dbraw/zinc/14/94/52/1057149452.db2.gz VHVXQMZLSFMRQD-JTQLQIEISA-N 0 3 393.272 3.543 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)c2ccccc2C)c1[O-] ZINC000848530534 1057153504 /nfs/dbraw/zinc/15/35/04/1057153504.db2.gz ALCCRWRYOPUTPS-BLLLJJGKSA-N 0 3 380.282 3.856 20 10 GHCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000848549043 1057170731 /nfs/dbraw/zinc/17/07/31/1057170731.db2.gz JTCKQGRFKRQWOF-LOWVWBTDSA-N 0 3 386.286 3.546 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)c1[O-] ZINC000848550360 1057171207 /nfs/dbraw/zinc/17/12/07/1057171207.db2.gz KJLWHVAEZUWJFG-NWDGAFQWSA-N 0 3 378.266 3.990 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848569174 1057184576 /nfs/dbraw/zinc/18/45/76/1057184576.db2.gz WINMKMQVGPTKHE-MAZHCROVSA-N 0 3 383.330 3.831 20 10 GHCDHN Cc1ccc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)ccc2c1 ZINC001439958971 1058365053 /nfs/dbraw/zinc/36/50/53/1058365053.db2.gz AMDNJCHJICXNDI-QFIPXVFZSA-N 0 3 376.504 3.642 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)N(C)C)cc1 ZINC001439958975 1058365318 /nfs/dbraw/zinc/36/53/18/1058365318.db2.gz AMYTYQWHKVIMSX-VWNXMTODSA-N 0 3 379.548 3.766 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)cc2F)N(C)C)cc1 ZINC001439959338 1058365704 /nfs/dbraw/zinc/36/57/04/1058365704.db2.gz CURPPQNWJLGOLM-GOSISDBHSA-N 0 3 395.425 3.526 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(F)F)cc2)N(C)C)cc1 ZINC001439961227 1058368634 /nfs/dbraw/zinc/36/86/34/1058368634.db2.gz QBTMETHMLFYWMG-IBGZPJMESA-N 0 3 375.463 3.897 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)N(C)C)cc1 ZINC001439962944 1058371444 /nfs/dbraw/zinc/37/14/44/1058371444.db2.gz YGHQTACLGCLDOD-KRWDZBQOSA-N 0 3 397.416 3.943 20 10 GHCDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)cc1 ZINC001338797744 1058792899 /nfs/dbraw/zinc/79/28/99/1058792899.db2.gz GPWURNISKFRORO-UHFFFAOYSA-N 0 3 394.441 3.561 20 10 GHCDHN CN1CCN(c2ccc(CN3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2F)CC1 ZINC001340794790 1060131692 /nfs/dbraw/zinc/13/16/92/1060131692.db2.gz CBTGLGWPOILPIV-MSOLQXFVSA-N 0 3 386.342 3.593 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1[O-] ZINC001346507942 1061631615 /nfs/dbraw/zinc/63/16/15/1061631615.db2.gz YGCMUVLXAGKYGQ-MNOVXSKESA-N 0 3 388.302 3.934 20 10 GHCDHN CN1CCN(c2ccc(CN[C@@H](c3ccccc3)c3cccnc3)cc2F)CC1 ZINC001200076700 1065143293 /nfs/dbraw/zinc/14/32/93/1065143293.db2.gz JUYHGWRCKRMRIW-DEOSSOPVSA-N 0 3 390.506 3.852 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2OCCF)N(C)C)cc1 ZINC001466633640 1066225059 /nfs/dbraw/zinc/22/50/59/1066225059.db2.gz SSCVNSINWXBCHU-LJQANCHMSA-N 0 3 388.487 3.525 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCOc3ccccc32)N(C)C)cc1 ZINC001468504627 1067754700 /nfs/dbraw/zinc/75/47/00/1067754700.db2.gz OOWRDADGDTYYRX-NHCUHLMSSA-N 0 3 396.535 3.568 20 10 GHCDHN Cc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1[N+](=O)[O-] ZINC000767382391 1068186426 /nfs/dbraw/zinc/18/64/26/1068186426.db2.gz FOMVFCXZNDOFEK-UHFFFAOYSA-N 0 3 382.464 3.686 20 10 GHCDHN CC(C)c1ccc(OCCNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001473399831 1073950295 /nfs/dbraw/zinc/95/02/95/1073950295.db2.gz CQRVDZGZRABRIH-SFHVURJKSA-N 0 3 383.536 3.722 20 10 GHCDHN C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000824600352 608281139 /nfs/dbraw/zinc/28/11/39/608281139.db2.gz YTNVYVZOZRFELG-KRWDZBQOSA-N 0 3 392.507 3.587 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC)c1ccc(Cl)cc1)cc2=O ZINC000122227724 838374703 /nfs/dbraw/zinc/37/47/03/838374703.db2.gz OJOUORBDORAFDF-INIZCTEOSA-N 0 3 388.855 3.506 20 10 GHCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C(F)(F)F)o1 ZINC000891249551 839327355 /nfs/dbraw/zinc/32/73/55/839327355.db2.gz ULFTZDMZWZZFRV-MRXNPFEDSA-N 0 3 383.414 3.706 20 10 GHCDHN COCCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165177765 843070093 /nfs/dbraw/zinc/07/00/93/843070093.db2.gz GFHXFIUIGKGODT-QGZVFWFLSA-N 0 3 388.483 3.538 20 10 GHCDHN CN(C)c1ccc(CNCc2cccnc2-n2cccn2)c(C(F)(F)F)c1 ZINC000280003320 846264115 /nfs/dbraw/zinc/26/41/15/846264115.db2.gz RXAYROUPYJQSQN-UHFFFAOYSA-N 0 3 375.398 3.642 20 10 GHCDHN COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000731847169 861906609 /nfs/dbraw/zinc/90/66/09/861906609.db2.gz GMXJNIFBNONLAO-UHFFFAOYSA-N 0 3 382.460 3.562 20 10 GHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000732204081 862144392 /nfs/dbraw/zinc/14/43/92/862144392.db2.gz BSADIRDZNTUGHN-MRXNPFEDSA-N 0 3 384.442 3.938 20 10 GHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000732204081 862144401 /nfs/dbraw/zinc/14/44/01/862144401.db2.gz BSADIRDZNTUGHN-MRXNPFEDSA-N 0 3 384.442 3.938 20 10 GHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)c([O-])c1 ZINC000732232405 862165452 /nfs/dbraw/zinc/16/54/52/862165452.db2.gz MABAOYWMLJHUCE-HNNXBMFYSA-N 0 3 391.309 3.922 20 10 GHCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC000029656433 853359801 /nfs/dbraw/zinc/35/98/01/853359801.db2.gz DNDXWCJUNJMQQY-QGZVFWFLSA-N 0 3 390.549 3.885 20 10 GHCDHN COc1ccc2ccc(O)c(CN(C)[C@@H]3CCN(c4ccccc4F)C3=O)c2c1 ZINC000732802589 862500322 /nfs/dbraw/zinc/50/03/22/862500322.db2.gz RFZUWNOUZFBEJU-OAQYLSRUSA-N 0 3 394.446 3.930 20 10 GHCDHN CCc1oc2ccccc2c1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330571 862870966 /nfs/dbraw/zinc/87/09/66/862870966.db2.gz CBMYLKFDZNSALW-UHFFFAOYSA-N 0 3 398.528 3.520 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000761203669 859109655 /nfs/dbraw/zinc/10/96/55/859109655.db2.gz LMETWDDARPAPMA-SWLSCSKDSA-N 0 3 384.904 3.932 20 10 GHCDHN COc1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000761203657 859109993 /nfs/dbraw/zinc/10/99/93/859109993.db2.gz LMETWDDARPAPMA-DOMZBBRYSA-N 0 3 384.904 3.932 20 10 GHCDHN CCC(=O)Nc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000765050507 859751926 /nfs/dbraw/zinc/75/19/26/859751926.db2.gz YPISCNPFOIZPPH-MRXNPFEDSA-N 0 3 385.483 3.862 20 10 GHCDHN CCc1nc(C)c([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000765245155 859863599 /nfs/dbraw/zinc/86/35/99/859863599.db2.gz OHKUMHLQNKASPH-YOEHRIQHSA-N 0 3 386.565 3.566 20 10 GHCDHN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CSCCc4ccccc43)cc2)C1 ZINC000765255086 859873292 /nfs/dbraw/zinc/87/32/92/859873292.db2.gz PDUMDXRLWIRHGD-UGKGYDQZSA-N 0 3 395.572 3.509 20 10 GHCDHN COc1cc(C)ccc1[C@@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765255459 859873425 /nfs/dbraw/zinc/87/34/25/859873425.db2.gz QRYCIYQKPURHJF-MJGOQNOKSA-N 0 3 381.520 3.556 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c(C(F)(F)F)c1 ZINC000792789971 881667579 /nfs/dbraw/zinc/66/75/79/881667579.db2.gz MWBMKIQOIMKPIR-MRXNPFEDSA-N 0 3 383.458 3.510 20 10 GHCDHN CN(C)c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c(C(F)(F)F)c1 ZINC000792809787 881702665 /nfs/dbraw/zinc/70/26/65/881702665.db2.gz QPTWTABNOACBRH-HNNXBMFYSA-N 0 3 393.457 3.689 20 10 GHCDHN Cc1ccc(O)c([C@H](C)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000184965863 865081365 /nfs/dbraw/zinc/08/13/65/865081365.db2.gz WQTDXTNPSNKABE-KRWDZBQOSA-N 0 3 388.533 3.726 20 10 GHCDHN COc1ccc([C@@H](CCO)NCc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000793031434 881880884 /nfs/dbraw/zinc/88/08/84/881880884.db2.gz DVGASYAEURROSO-LJQANCHMSA-N 0 3 382.426 3.993 20 10 GHCDHN CN(C)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000738440810 865542715 /nfs/dbraw/zinc/54/27/15/865542715.db2.gz YAQJTPYCXPFRBL-DEOSSOPVSA-N 0 3 387.527 3.770 20 10 GHCDHN CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3[O-])cc2F)CC1 ZINC000185393670 866054008 /nfs/dbraw/zinc/05/40/08/866054008.db2.gz VXXAMOZLBQBIOV-OAHLLOKOSA-N 0 3 375.463 3.663 20 10 GHCDHN C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])NC(=O)OC(C)(C)C ZINC000793217282 882017112 /nfs/dbraw/zinc/01/71/12/882017112.db2.gz KTNXTCJUHDQVFH-INIZCTEOSA-N 0 3 386.492 3.974 20 10 GHCDHN Cc1cc(O)c(CNCC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000742366064 867237290 /nfs/dbraw/zinc/23/72/90/867237290.db2.gz FQZGDLPBWKVJBY-UHFFFAOYSA-N 0 3 377.282 3.808 20 10 GHCDHN COc1ccc(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c([O-])c1 ZINC000793386385 882162674 /nfs/dbraw/zinc/16/26/74/882162674.db2.gz OLYQJDQLSJSBPX-UHFFFAOYSA-N 0 3 391.393 3.954 20 10 GHCDHN COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(OC)cc3[O-])c2)cc1 ZINC000793386316 882162705 /nfs/dbraw/zinc/16/27/05/882162705.db2.gz LBXZWRTUAZCVNA-UHFFFAOYSA-N 0 3 392.455 3.952 20 10 GHCDHN CN1CCCc2cc(CNC(=O)c3cccc(CN4CCCCC4)c3)ccc21 ZINC000857442645 882266614 /nfs/dbraw/zinc/26/66/14/882266614.db2.gz OMNKXEOTQQLUJW-UHFFFAOYSA-N 0 3 377.532 3.985 20 10 GHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000767509824 872580562 /nfs/dbraw/zinc/58/05/62/872580562.db2.gz IABJMYBPHOKVIW-SFHVURJKSA-N 0 3 375.431 3.921 20 10 GHCDHN CC(=O)Nc1c(C)cccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000767933917 872968437 /nfs/dbraw/zinc/96/84/37/872968437.db2.gz QQZJICCLAIVREJ-UHFFFAOYSA-N 0 3 394.519 3.736 20 10 GHCDHN O=C(Cc1cccc(F)c1)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768464827 873330207 /nfs/dbraw/zinc/33/02/07/873330207.db2.gz WJAVYQVPBWPMRD-UHFFFAOYSA-N 0 3 396.506 3.687 20 10 GHCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(Br)cc(OC)c2[O-])OC)c1 ZINC000527740640 873543059 /nfs/dbraw/zinc/54/30/59/873543059.db2.gz XWCPKCFMZODPHV-QGZVFWFLSA-N 0 3 396.281 3.649 20 10 GHCDHN COc1cccc([C@H](C[NH2+]Cc2cc(Br)cc(OC)c2[O-])OC)c1 ZINC000527740639 873543476 /nfs/dbraw/zinc/54/34/76/873543476.db2.gz XWCPKCFMZODPHV-KRWDZBQOSA-N 0 3 396.281 3.649 20 10 GHCDHN CCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)c([O-])c1 ZINC000768933063 873701515 /nfs/dbraw/zinc/70/15/15/873701515.db2.gz WPHFSNREBCMLCU-HNNXBMFYSA-N 0 3 399.409 3.681 20 10 GHCDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)c([O-])c1 ZINC000768933063 873701520 /nfs/dbraw/zinc/70/15/20/873701520.db2.gz WPHFSNREBCMLCU-HNNXBMFYSA-N 0 3 399.409 3.681 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528000977 873870158 /nfs/dbraw/zinc/87/01/58/873870158.db2.gz TZVVCHQICVFFOH-BDJLRTHQSA-N 0 3 375.266 3.677 20 10 GHCDHN CCOc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c([O-])c1 ZINC000769209658 873891682 /nfs/dbraw/zinc/89/16/82/873891682.db2.gz DLOVXQHLFPOAKA-UHFFFAOYSA-N 0 3 380.448 3.616 20 10 GHCDHN CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769499883 874107271 /nfs/dbraw/zinc/10/72/71/874107271.db2.gz SDTLGOBOCITUJP-QGZVFWFLSA-N 0 3 375.310 3.861 20 10 GHCDHN CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769499883 874107278 /nfs/dbraw/zinc/10/72/78/874107278.db2.gz SDTLGOBOCITUJP-QGZVFWFLSA-N 0 3 375.310 3.861 20 10 GHCDHN COc1ccc(CN(C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000775833805 874345500 /nfs/dbraw/zinc/34/55/00/874345500.db2.gz GBACWWFQCNPTEH-QGZVFWFLSA-N 0 3 381.520 3.603 20 10 GHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[O-] ZINC000769930945 874374633 /nfs/dbraw/zinc/37/46/33/874374633.db2.gz QSUZCBFUEYDBEQ-UGSOOPFHSA-N 0 3 393.325 3.944 20 10 GHCDHN COc1cc(C)c(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1 ZINC001199412966 874976721 /nfs/dbraw/zinc/97/67/21/874976721.db2.gz KMAMYYUWSXPIPA-HOTGVXAUSA-N 0 3 387.499 3.750 20 10 GHCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2ccc(F)cc2F)CC1 ZINC001200935829 875404998 /nfs/dbraw/zinc/40/49/98/875404998.db2.gz QLSGLFUGSMKWMN-UHFFFAOYSA-N 0 3 377.460 3.621 20 10 GHCDHN COC(=O)c1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)oc1C ZINC000776154258 875627416 /nfs/dbraw/zinc/62/74/16/875627416.db2.gz QQQZTXFJBHGUDO-UHFFFAOYSA-N 0 3 394.418 3.735 20 10 GHCDHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000776250286 876030641 /nfs/dbraw/zinc/03/06/41/876030641.db2.gz UBLJRLOMOVEXOY-IBGZPJMESA-N 0 3 382.552 3.895 20 10 GHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000785544286 876096961 /nfs/dbraw/zinc/09/69/61/876096961.db2.gz MOXFGJUFMMFPSL-AWEZNQCLSA-N 0 3 377.282 3.532 20 10 GHCDHN CC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1C ZINC000785598177 876122554 /nfs/dbraw/zinc/12/25/54/876122554.db2.gz UFDDCRYWENSZGC-UHFFFAOYSA-N 0 3 394.519 3.736 20 10 GHCDHN Cc1cc(CNCc2cnc(N3CCOCC3)s2)c(C)n1-c1ccccc1 ZINC000858292991 883004782 /nfs/dbraw/zinc/00/47/82/883004782.db2.gz IDUMRFBKCCJUFM-UHFFFAOYSA-N 0 3 382.533 3.677 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000529637382 876420804 /nfs/dbraw/zinc/42/08/04/876420804.db2.gz RJEASNYTWWTLNL-LBPRGKRZSA-N 0 3 378.192 3.553 20 10 GHCDHN CCc1cccc2cc(CNCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)oc21 ZINC000850059723 876633941 /nfs/dbraw/zinc/63/39/41/876633941.db2.gz NPOPRTDZUNZPCD-HXUWFJFHSA-N 0 3 391.515 3.987 20 10 GHCDHN CN(C)c1ccc([C@H](CN[C@H]2CCCn3nccc32)NC(=O)OC(C)(C)C)cc1 ZINC000850454458 876937404 /nfs/dbraw/zinc/93/74/04/876937404.db2.gz JRFBVACPCXNQNV-OALUTQOASA-N 0 3 399.539 3.640 20 10 GHCDHN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000850484820 876958597 /nfs/dbraw/zinc/95/85/97/876958597.db2.gz QVLKFJRXPIOVAO-CYBMUJFWSA-N 0 3 391.309 3.950 20 10 GHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cc(Br)ncc3F)C2)cc1 ZINC000850489661 876967392 /nfs/dbraw/zinc/96/73/92/876967392.db2.gz WIYLIRDYRGXWHT-QWHCGFSZSA-N 0 3 394.288 3.921 20 10 GHCDHN COc1ncc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC000850567946 877035739 /nfs/dbraw/zinc/03/57/39/877035739.db2.gz MNDACBWLFXRMLG-AWEZNQCLSA-N 0 3 375.900 3.556 20 10 GHCDHN CCC[N@H+](Cc1cccc(OC)c1[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000093417574 912254576 /nfs/dbraw/zinc/25/45/76/912254576.db2.gz HLSDGBWUWUAMNX-UHFFFAOYSA-N 0 3 384.524 3.689 20 10 GHCDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000093417574 912254600 /nfs/dbraw/zinc/25/46/00/912254600.db2.gz HLSDGBWUWUAMNX-UHFFFAOYSA-N 0 3 384.524 3.689 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000792182403 880969168 /nfs/dbraw/zinc/96/91/68/880969168.db2.gz DHDKYLQBLQCJFF-INIZCTEOSA-N 0 3 378.314 3.888 20 10 GHCDHN Cc1nc2ccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)cc2o1 ZINC000792290585 881015693 /nfs/dbraw/zinc/01/56/93/881015693.db2.gz QPQVKNQUYSZREC-UHFFFAOYSA-N 0 3 378.476 3.919 20 10 GHCDHN C[C@H]1[C@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1 ZINC000806958483 885113276 /nfs/dbraw/zinc/11/32/76/885113276.db2.gz IROCSZRXPWEAQP-DOTOQJQBSA-N 0 3 390.578 3.588 20 10 GHCDHN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@H](c1ccccc1)N(C)C ZINC000807403177 885430146 /nfs/dbraw/zinc/43/01/46/885430146.db2.gz WATUPDCNNLDZTQ-KSFYIVLOSA-N 0 3 381.520 3.762 20 10 GHCDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccco1 ZINC000807679652 885628176 /nfs/dbraw/zinc/62/81/76/885628176.db2.gz IIJMHGKPMIRQFU-HNAYVOBHSA-N 0 3 380.492 3.941 20 10 GHCDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(C)n1-c1ccccn1 ZINC000807738561 885669709 /nfs/dbraw/zinc/66/97/09/885669709.db2.gz FJEFSYJXFKOLFM-SIKLNZKXSA-N 0 3 388.515 3.882 20 10 GHCDHN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000862028133 886065329 /nfs/dbraw/zinc/06/53/29/886065329.db2.gz QVNOECLCLIIQBW-LJQANCHMSA-N 0 3 393.462 3.608 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](OCc4c(C)noc4C)C3)c2c1 ZINC000762470125 886248719 /nfs/dbraw/zinc/24/87/19/886248719.db2.gz BZEZRYZEIKCXNJ-GOSISDBHSA-N 0 3 382.460 3.950 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](OCc4c(C)noc4C)C3)c2c1 ZINC000762470125 886248746 /nfs/dbraw/zinc/24/87/46/886248746.db2.gz BZEZRYZEIKCXNJ-GOSISDBHSA-N 0 3 382.460 3.950 20 10 GHCDHN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000862252389 886254802 /nfs/dbraw/zinc/25/48/02/886254802.db2.gz FEBDXADPMDMIJQ-GFCCVEGCSA-N 0 3 377.286 3.530 20 10 GHCDHN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000862252389 886254821 /nfs/dbraw/zinc/25/48/21/886254821.db2.gz FEBDXADPMDMIJQ-GFCCVEGCSA-N 0 3 377.286 3.530 20 10 GHCDHN COC(=O)CCn1nc(C)c(CNCc2cc(C)n(-c3ccccc3)c2C)c1C ZINC000862528090 886429379 /nfs/dbraw/zinc/42/93/79/886429379.db2.gz PNMGXBJHOSVCAP-UHFFFAOYSA-N 0 3 394.519 3.760 20 10 GHCDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)cc(C)c3[O-])[C@H]2C1 ZINC000808722807 886707363 /nfs/dbraw/zinc/70/73/63/886707363.db2.gz GRRPVVGKNLBJON-ZUXXIDCJSA-N 0 3 395.341 3.761 20 10 GHCDHN CN1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000179126455 887121959 /nfs/dbraw/zinc/12/19/59/887121959.db2.gz OCDBMDZKRIANAY-VXKWHMMOSA-N 0 3 378.520 3.531 20 10 GHCDHN O=C1CCCN1[C@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809572693 887552137 /nfs/dbraw/zinc/55/21/37/887552137.db2.gz RPHMISKRIMQEED-QHCPKHFHSA-N 0 3 389.543 3.836 20 10 GHCDHN CN1CCN(c2ccc(CN3CCCC[C@@H]3c3nnc(C4CCC4)o3)cc2)CC1 ZINC000809726218 887752779 /nfs/dbraw/zinc/75/27/79/887752779.db2.gz FXYQUCCNQOCSEO-OAQYLSRUSA-N 0 3 395.551 3.816 20 10 GHCDHN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809779590 887829660 /nfs/dbraw/zinc/82/96/60/887829660.db2.gz SSDLZARKTIDEMD-LJQANCHMSA-N 0 3 384.476 3.682 20 10 GHCDHN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809779590 887829667 /nfs/dbraw/zinc/82/96/67/887829667.db2.gz SSDLZARKTIDEMD-LJQANCHMSA-N 0 3 384.476 3.682 20 10 GHCDHN COc1cc(O)c(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1OC ZINC000809789458 887842147 /nfs/dbraw/zinc/84/21/47/887842147.db2.gz HDSFRPUVZMQDQE-XZOQPEGZSA-N 0 3 379.456 3.974 20 10 GHCDHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2cccc(O)c2C1 ZINC001184404974 913190904 /nfs/dbraw/zinc/19/09/04/913190904.db2.gz YFVNUVXYLVGDSP-GOSISDBHSA-N 0 3 384.907 3.843 20 10 GHCDHN C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@]2(CCCOC2)O1 ZINC000796036451 913193861 /nfs/dbraw/zinc/19/38/61/913193861.db2.gz MXYSRDBIAZPPDB-JPYJTQIMSA-N 0 3 383.488 3.741 20 10 GHCDHN C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)NC(=O)OC(C)(C)C ZINC000794825843 888264005 /nfs/dbraw/zinc/26/40/05/888264005.db2.gz PYKMHXHYMPNPOL-GJZGRUSLSA-N 0 3 397.947 3.740 20 10 GHCDHN COc1cc(C)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1OC ZINC000122424029 889761485 /nfs/dbraw/zinc/76/14/85/889761485.db2.gz XEYGRMRULVFIDZ-UHFFFAOYSA-N 0 3 397.519 3.795 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1[O-] ZINC000812738214 890919228 /nfs/dbraw/zinc/91/92/28/890919228.db2.gz YZQWMBFELRJPAQ-LBPRGKRZSA-N 0 3 378.314 3.926 20 10 GHCDHN COc1cccc(CNCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1O ZINC000237401531 891644416 /nfs/dbraw/zinc/64/44/16/891644416.db2.gz WTLBLIZNXJEYGP-UHFFFAOYSA-N 0 3 390.483 3.929 20 10 GHCDHN COc1ccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000124659182 891803546 /nfs/dbraw/zinc/80/35/46/891803546.db2.gz MBRRZNSKBWVSHK-NRFANRHFSA-N 0 3 382.504 3.878 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176085 892329487 /nfs/dbraw/zinc/32/94/87/892329487.db2.gz MAYNZMOJJBTKHG-MAUKXSAKSA-N 0 3 376.497 3.622 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000814176085 892329507 /nfs/dbraw/zinc/32/95/07/892329507.db2.gz MAYNZMOJJBTKHG-MAUKXSAKSA-N 0 3 376.497 3.622 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2c[nH]c3cc(Cl)ccc23)N(C)C)cc1 ZINC001134883066 893507100 /nfs/dbraw/zinc/50/71/00/893507100.db2.gz YHYUVXRDYVTYNP-OAQYLSRUSA-N 0 3 398.938 3.849 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000815564294 894002089 /nfs/dbraw/zinc/00/20/89/894002089.db2.gz DXYYNSXHVWIEQQ-VXKWHMMOSA-N 0 3 391.515 3.922 20 10 GHCDHN O=C1NCCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1Cc1ccccc1 ZINC000816641324 894985361 /nfs/dbraw/zinc/98/53/61/894985361.db2.gz OIVPWJKRNVCGLW-HSZRJFAPSA-N 0 3 377.532 3.610 20 10 GHCDHN C[C@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1[O-] ZINC000879651210 895203345 /nfs/dbraw/zinc/20/33/45/895203345.db2.gz MWGNVOFBOLVURI-INIZCTEOSA-N 0 3 375.472 3.840 20 10 GHCDHN CCn1cc(CNCc2ccc(N3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000882915231 897104321 /nfs/dbraw/zinc/10/43/21/897104321.db2.gz KSCBLCCOGJMHBH-UHFFFAOYSA-N 0 3 376.504 3.696 20 10 GHCDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820628024 897419749 /nfs/dbraw/zinc/41/97/49/897419749.db2.gz XAMIUTCEWSYFSN-UHFFFAOYSA-N 0 3 379.464 3.586 20 10 GHCDHN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000303060619 914256525 /nfs/dbraw/zinc/25/65/25/914256525.db2.gz LTXHNCKVQRPFSW-FQEVSTJZSA-N 0 3 383.511 3.762 20 10 GHCDHN CC[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000156482915 899799895 /nfs/dbraw/zinc/79/98/95/899799895.db2.gz RFYYKZPTUUBZOY-FQEVSTJZSA-N 0 3 388.533 3.534 20 10 GHCDHN O[C@@H]([C@@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1)C(F)(F)F ZINC000825124430 899994197 /nfs/dbraw/zinc/99/41/97/899994197.db2.gz PWBKJHYRPCDNRR-CTNGQTDRSA-N 0 3 390.449 3.994 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282959299 900978282 /nfs/dbraw/zinc/97/82/82/900978282.db2.gz HSZOBWDYDKOUIW-NZQKXSOJSA-N 0 3 397.515 3.629 20 10 GHCDHN NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000886747281 901251502 /nfs/dbraw/zinc/25/15/02/901251502.db2.gz PKWWDWHHMCVFOD-OAQYLSRUSA-N 0 3 397.494 3.531 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1csc(Cl)c1 ZINC000886749143 901253795 /nfs/dbraw/zinc/25/37/95/901253795.db2.gz KLZCHDGRGBWGDJ-CYBMUJFWSA-N 0 3 377.941 3.954 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000886751299 901255008 /nfs/dbraw/zinc/25/50/08/901255008.db2.gz MPCMOJFDXQWUDX-CQSZACIVSA-N 0 3 388.462 3.572 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000779023061 903064183 /nfs/dbraw/zinc/06/41/83/903064183.db2.gz BYUSVSKVZPGHDT-YDHLFZDLSA-N 0 3 383.330 3.761 20 10 GHCDHN C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773234485 904600369 /nfs/dbraw/zinc/60/03/69/904600369.db2.gz BHELNWJRMXEVPA-WIYYLYMNSA-N 0 3 380.536 3.777 20 10 GHCDHN COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000188644889 904953406 /nfs/dbraw/zinc/95/34/06/904953406.db2.gz IQLJBZQNXMINJF-QGZVFWFLSA-N 0 3 398.503 3.928 20 10 GHCDHN Cc1n[nH]cc1[C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779165334 905088775 /nfs/dbraw/zinc/08/87/75/905088775.db2.gz PMYOQSXJIYWVEG-AUUYWEPGSA-N 0 3 387.528 3.701 20 10 GHCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795437 921169490 /nfs/dbraw/zinc/16/94/90/921169490.db2.gz NLHOVFXLDIWKJI-GUYCJALGSA-N 0 3 391.493 3.543 20 10 GHCDHN CCCCn1cc(CNCc2cc(Br)cc(OC)c2O)c(C)n1 ZINC000773411272 907266981 /nfs/dbraw/zinc/26/69/81/907266981.db2.gz YCPLAHUNERQSOC-UHFFFAOYSA-N 0 3 382.302 3.758 20 10 GHCDHN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001175418447 907541774 /nfs/dbraw/zinc/54/17/74/907541774.db2.gz KJRLWQZYCJAYLB-QWHCGFSZSA-N 0 3 390.505 3.871 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000184676929 907635583 /nfs/dbraw/zinc/63/55/83/907635583.db2.gz SFFPNUUONYYMHJ-AWEZNQCLSA-N 0 3 390.915 3.752 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000184676929 907635589 /nfs/dbraw/zinc/63/55/89/907635589.db2.gz SFFPNUUONYYMHJ-AWEZNQCLSA-N 0 3 390.915 3.752 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)CCOc2ccccc2Cl)N(C)C)cc1 ZINC001180179644 909978289 /nfs/dbraw/zinc/97/82/89/909978289.db2.gz QVHGXGNFFXZEKI-LJQANCHMSA-N 0 3 389.927 3.594 20 10 GHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000268823020 910034291 /nfs/dbraw/zinc/03/42/91/910034291.db2.gz IGJWDRMQYSFGMJ-JOCHJYFZSA-N 0 3 384.495 3.963 20 10 GHCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(C(C)C)ccc2O)CC1 ZINC001181987822 911111568 /nfs/dbraw/zinc/11/15/68/911111568.db2.gz UYCSDRVRIPHPLC-UHFFFAOYSA-N 0 3 387.549 3.985 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000775259000 916687885 /nfs/dbraw/zinc/68/78/85/916687885.db2.gz DONJZSNBEZMEOS-GOSISDBHSA-N 0 3 389.499 3.966 20 10 GHCDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775259739 916697710 /nfs/dbraw/zinc/69/77/10/916697710.db2.gz XXKAWGNJZYBGRW-CQSZACIVSA-N 0 3 391.874 3.605 20 10 GHCDHN CN(C)c1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000775319151 916908638 /nfs/dbraw/zinc/90/86/38/916908638.db2.gz QEAZSPQBSMPGPB-QGZVFWFLSA-N 0 3 377.410 3.667 20 10 GHCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccc2OC2CCCC2)c1 ZINC000775372852 917248646 /nfs/dbraw/zinc/24/86/46/917248646.db2.gz KEFJWCNDNAAIMN-INIZCTEOSA-N 0 3 398.503 3.689 20 10 GHCDHN CC[C@H]([NH2+]C[C@]1(COC)CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380651499 919310368 /nfs/dbraw/zinc/31/03/68/919310368.db2.gz ZRHDGUZTIWAQEW-UWJYYQICSA-N 0 3 378.513 3.849 20 10 GHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1[O-] ZINC000903423941 923013383 /nfs/dbraw/zinc/01/33/83/923013383.db2.gz IXCPFSKJWXXDKN-ZDUSSCGKSA-N 0 3 382.913 3.601 20 10 GHCDHN Cc1cccc2ncc(C[NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4[O-])C3)n21 ZINC000749111215 924027590 /nfs/dbraw/zinc/02/75/90/924027590.db2.gz YLPHNEVBUDBDJI-SFHVURJKSA-N 0 3 384.911 3.756 20 10 GHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000749180214 924398993 /nfs/dbraw/zinc/39/89/93/924398993.db2.gz ZQFMKCMQZTZFKS-JOCHJYFZSA-N 0 3 394.563 3.797 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000371496683 924613412 /nfs/dbraw/zinc/61/34/12/924613412.db2.gz KRWPTBVDGCVMKU-UHFFFAOYSA-N 0 3 381.451 3.941 20 10 GHCDHN COC1CCN(c2ccc(CN3CCN(c4ccccc4C)CC3)cc2)CC1 ZINC000827311303 925257743 /nfs/dbraw/zinc/25/77/43/925257743.db2.gz YKLDEHMXTRZDGK-UHFFFAOYSA-N 0 3 379.548 3.932 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC000389783082 926387890 /nfs/dbraw/zinc/38/78/90/926387890.db2.gz GDTNRBBFKCPKPM-WFASDCNBSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cc(Br)cc(CN2CCC(c3c[nH]nc3C)CC2)c1O ZINC000375267810 928107139 /nfs/dbraw/zinc/10/71/39/928107139.db2.gz RGORTWFGLVIBLF-UHFFFAOYSA-N 0 3 380.286 3.574 20 10 GHCDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCCSc1nccs1 ZINC000759591006 930416130 /nfs/dbraw/zinc/41/61/30/930416130.db2.gz SLLIBXPTNGSQFZ-UHFFFAOYSA-N 0 3 396.557 3.538 20 10 GHCDHN CCCN(CCN1CCCC1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000557580010 931556367 /nfs/dbraw/zinc/55/63/67/931556367.db2.gz SWJXLZZVDZYCHY-UHFFFAOYSA-N 0 3 385.552 3.853 20 10 GHCDHN C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000797103011 932183545 /nfs/dbraw/zinc/18/35/45/932183545.db2.gz RIBHTYQWMBXOKV-INIZCTEOSA-N 0 3 382.545 3.824 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000927070082 932399685 /nfs/dbraw/zinc/39/96/85/932399685.db2.gz NNRFKORUZQBCFA-MEDUHNTESA-N 0 3 382.302 3.945 20 10 GHCDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116442805 933560605 /nfs/dbraw/zinc/56/06/05/933560605.db2.gz QJXSAUWWLCTIQM-NRFANRHFSA-N 0 3 383.511 3.923 20 10 GHCDHN CCN(CC)c1ccc(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)cc1F ZINC000829039197 935758340 /nfs/dbraw/zinc/75/83/40/935758340.db2.gz WIKOEXARVJAKRA-QGZVFWFLSA-N 0 3 392.906 3.735 20 10 GHCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1cccc(Br)c1 ZINC000834786920 1021474574 /nfs/dbraw/zinc/47/45/74/1021474574.db2.gz DSZRFLNXUANERO-JKSUJKDBSA-N 0 3 387.277 3.537 20 10 GHCDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000835026319 1021782624 /nfs/dbraw/zinc/78/26/24/1021782624.db2.gz USGGBTIJXUMGQG-LQOHYYORSA-N 0 3 379.552 3.963 20 10 GHCDHN COC(=O)c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000827336608 1022058554 /nfs/dbraw/zinc/05/85/54/1022058554.db2.gz KPODJHBXKMNPKB-UHFFFAOYSA-N 0 3 388.895 3.595 20 10 GHCDHN CN(C)c1ccc(CN2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC001140922455 1022889736 /nfs/dbraw/zinc/88/97/36/1022889736.db2.gz RGUMELSXNPDZDH-OALUTQOASA-N 0 3 383.923 3.610 20 10 GHCDHN Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccc(C)cc2[O-])CC3)cs1 ZINC001140950343 1022972190 /nfs/dbraw/zinc/97/21/90/1022972190.db2.gz YZRDHPFVJICHQI-LJQANCHMSA-N 0 3 388.533 3.806 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)c2ccccc21 ZINC001140950240 1022972327 /nfs/dbraw/zinc/97/23/27/1022972327.db2.gz WQXTWMRRHQBWSM-LJQANCHMSA-N 0 3 378.516 3.858 20 10 GHCDHN COc1cccc(CN(Cc2ccc(OC)c(OC)c2O)C[C@H]2CCCO2)c1 ZINC001204851530 1033121096 /nfs/dbraw/zinc/12/10/96/1033121096.db2.gz LCFUVAWMQHIOHC-LJQANCHMSA-N 0 3 387.476 3.599 20 10 GHCDHN Fc1cccn2cc(CN[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc12 ZINC000756039778 1023490436 /nfs/dbraw/zinc/49/04/36/1023490436.db2.gz JNYPTFGBURPDNA-CQSZACIVSA-N 0 3 390.409 3.833 20 10 GHCDHN CCOc1ccc(CN(CCO)Cc2cc(Br)cs2)c(O)c1 ZINC000756117778 1023527094 /nfs/dbraw/zinc/52/70/94/1023527094.db2.gz AORKFWTVILXNOD-UHFFFAOYSA-N 0 3 386.311 3.609 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756440433 1023651579 /nfs/dbraw/zinc/65/15/79/1023651579.db2.gz DFANEMGEQMAQTC-RHSMWYFYSA-N 0 3 377.481 3.674 20 10 GHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(NS(C)(=O)=O)c1 ZINC000756494859 1023685032 /nfs/dbraw/zinc/68/50/32/1023685032.db2.gz OUYHTGLRWXAKPE-BFQNTYOBSA-N 0 3 378.469 3.802 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c2c1c(F)ccc2[O-] ZINC000756678133 1023770674 /nfs/dbraw/zinc/77/06/74/1023770674.db2.gz UWPFQXXHJJSAQS-JRPNMDOOSA-N 0 3 376.378 3.753 20 10 GHCDHN COc1ccc2c(C)cc(NCc3ccc(N4CCN(C)CC4)cc3)nc2c1 ZINC001156657242 1033161519 /nfs/dbraw/zinc/16/15/19/1033161519.db2.gz JFDVESMNVCZLKM-UHFFFAOYSA-N 0 3 376.504 3.916 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c2c1c(F)ccc2[O-] ZINC000756835582 1023829207 /nfs/dbraw/zinc/82/92/07/1023829207.db2.gz ORLJTESRZVPXTP-ICPLQIHGSA-N 0 3 384.495 3.696 20 10 GHCDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)c1ccccc1C(F)(F)F ZINC001141163294 1023989074 /nfs/dbraw/zinc/98/90/74/1023989074.db2.gz ZEGHIVXNODHHHX-UHFFFAOYSA-N 0 3 394.393 3.511 20 10 GHCDHN CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1cccc(F)c1O)C2 ZINC001138126516 1024171950 /nfs/dbraw/zinc/17/19/50/1024171950.db2.gz CJCZXNDDNSGDKF-UHFFFAOYSA-N 0 3 381.451 3.710 20 10 GHCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1ccccc1Br ZINC001139404585 1026277621 /nfs/dbraw/zinc/27/76/21/1026277621.db2.gz PSJHSNSOCZOQLI-UHFFFAOYSA-N 0 3 388.353 3.833 20 10 GHCDHN COc1ccc(N2CCN(CCCNc3ccc(NC(C)=O)c(C)c3)CC2)cc1 ZINC001164334082 1026489066 /nfs/dbraw/zinc/48/90/66/1026489066.db2.gz LMVMGZLPEYAMGA-UHFFFAOYSA-N 0 3 396.535 3.586 20 10 GHCDHN Cc1cc(CN2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)ccc1N(C)C ZINC001139672390 1026527390 /nfs/dbraw/zinc/52/73/90/1026527390.db2.gz WDXOQTMYLSKJFL-JOCHJYFZSA-N 0 3 377.532 3.857 20 10 GHCDHN COc1ccc2c(c1)c1c(n2C)CCN(c2ncccc2CN2CCCC2)C1 ZINC001165092988 1026601374 /nfs/dbraw/zinc/60/13/74/1026601374.db2.gz CCWCVYAERUYBSZ-UHFFFAOYSA-N 0 3 376.504 3.740 20 10 GHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001140055290 1026835821 /nfs/dbraw/zinc/83/58/21/1026835821.db2.gz CPGPFWVPSIUINK-GOSISDBHSA-N 0 3 386.467 3.624 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001140055804 1026836018 /nfs/dbraw/zinc/83/60/18/1026836018.db2.gz WDKSQVORGCCTAK-CTNGQTDRSA-N 0 3 390.430 3.516 20 10 GHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001140055804 1026836025 /nfs/dbraw/zinc/83/60/25/1026836025.db2.gz WDKSQVORGCCTAK-CTNGQTDRSA-N 0 3 390.430 3.516 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2CF)CC1 ZINC001140063140 1026842594 /nfs/dbraw/zinc/84/25/94/1026842594.db2.gz LNGGJTICOUXKDG-ZBFHGGJFSA-N 0 3 382.451 3.606 20 10 GHCDHN CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2CF)CC1 ZINC001140063140 1026842595 /nfs/dbraw/zinc/84/25/95/1026842595.db2.gz LNGGJTICOUXKDG-ZBFHGGJFSA-N 0 3 382.451 3.606 20 10 GHCDHN CC(C)(C)OC(=O)N1CCC(OC2CC[NH+](Cc3ccccc3[O-])CC2)CC1 ZINC001203550268 1027428051 /nfs/dbraw/zinc/42/80/51/1027428051.db2.gz OYKJIHSPBVLCJA-UHFFFAOYSA-N 0 3 390.524 3.773 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+](Cc1ccccc1[O-])CC2 ZINC001203552032 1027429917 /nfs/dbraw/zinc/42/99/17/1027429917.db2.gz XVYYIAUDOQTTTM-UHFFFAOYSA-N 0 3 394.496 3.903 20 10 GHCDHN COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001203552032 1027429923 /nfs/dbraw/zinc/42/99/23/1027429923.db2.gz XVYYIAUDOQTTTM-UHFFFAOYSA-N 0 3 394.496 3.903 20 10 GHCDHN CCOc1cccc(C[N@H+](CC)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203615341 1027477843 /nfs/dbraw/zinc/47/78/43/1027477843.db2.gz RHVFSECTMFAKBN-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CCOc1cccc(C[N@@H+](CC)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001203615341 1027477859 /nfs/dbraw/zinc/47/78/59/1027477859.db2.gz RHVFSECTMFAKBN-INIZCTEOSA-N 0 3 378.513 3.870 20 10 GHCDHN CC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cc(F)ccc1OC ZINC001203739717 1027563569 /nfs/dbraw/zinc/56/35/69/1027563569.db2.gz ISRFVCSBPZUZFP-FQEVSTJZSA-N 0 3 389.490 3.966 20 10 GHCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2n(n1)CCC2 ZINC000840720742 1027759848 /nfs/dbraw/zinc/75/98/48/1027759848.db2.gz QLQBNQYWKDRMNP-AWEZNQCLSA-N 0 3 376.451 3.750 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3nc(C)c(Br)s3)C2)cc1 ZINC001461591370 1069627012 /nfs/dbraw/zinc/62/70/12/1069627012.db2.gz LDURJQRJQMMMRG-ZDUSSCGKSA-N 0 3 396.354 3.839 20 10 GHCDHN CCCc1nc(C)c(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001216754729 1029920244 /nfs/dbraw/zinc/92/02/44/1029920244.db2.gz IGUFYMIDQHGHLY-KRWDZBQOSA-N 0 3 389.569 3.894 20 10 GHCDHN CCN(CC)c1ccc(CNC[C@H]2CN(C)CCN2Cc2ccccc2)cc1F ZINC001461662421 1069665340 /nfs/dbraw/zinc/66/53/40/1069665340.db2.gz JLJVVQMZTBUKEP-QFIPXVFZSA-N 0 3 398.570 3.578 20 10 GHCDHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217749772 1030640984 /nfs/dbraw/zinc/64/09/84/1030640984.db2.gz GOCGMIBFNNMLAQ-SNRMKQJTSA-N 0 3 393.491 3.564 20 10 GHCDHN Cc1cc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)c(C)n1-c1ccccc1C ZINC001152695860 1031329776 /nfs/dbraw/zinc/32/97/76/1031329776.db2.gz PRRPFJCCRQGGOO-JTHBVZDNSA-N 0 3 395.547 3.510 20 10 GHCDHN NCc1ccc(C(=O)N(c2ccc(N)cc2)c2ccc3ccccc3c2N)cn1 ZINC001219479031 1031447279 /nfs/dbraw/zinc/44/72/79/1031447279.db2.gz ZQCYGUKQSSGCCN-UHFFFAOYSA-N 0 3 383.455 3.836 20 10 GHCDHN CCCCN1CCC2(CC[NH+](Cc3cc(Cl)cc(OC)c3[O-])CC2)C1=O ZINC001277067120 1031565802 /nfs/dbraw/zinc/56/58/02/1031565802.db2.gz SYSKUVUHKIKZIA-UHFFFAOYSA-N 0 3 380.916 3.669 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001220212451 1031839043 /nfs/dbraw/zinc/83/90/43/1031839043.db2.gz KCOCQRCHPMUMSC-DNVCBOLYSA-N 0 3 395.890 3.746 20 10 GHCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001220212710 1031839609 /nfs/dbraw/zinc/83/96/09/1031839609.db2.gz SXMOCZRXHBGBFI-SFHVURJKSA-N 0 3 381.863 3.948 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2OC(F)F)N(C)C)cc1 ZINC001206212547 1033766396 /nfs/dbraw/zinc/76/63/96/1033766396.db2.gz VWKWJWNPCFZLAY-QGZVFWFLSA-N 0 3 392.450 3.778 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC001207825947 1034602998 /nfs/dbraw/zinc/60/29/98/1034602998.db2.gz DCZGTVGNBAQCDS-GOEBONIOSA-N 0 3 384.467 3.962 20 10 GHCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC001207825947 1034603003 /nfs/dbraw/zinc/60/30/03/1034603003.db2.gz DCZGTVGNBAQCDS-GOEBONIOSA-N 0 3 384.467 3.962 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001231587838 1034740946 /nfs/dbraw/zinc/74/09/46/1034740946.db2.gz ZTWBIVGKSPOWJC-XMMPIXPASA-N 0 3 389.499 3.812 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001231587838 1034740959 /nfs/dbraw/zinc/74/09/59/1034740959.db2.gz ZTWBIVGKSPOWJC-XMMPIXPASA-N 0 3 389.499 3.812 20 10 GHCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001231587977 1034741119 /nfs/dbraw/zinc/74/11/19/1034741119.db2.gz KGGGVIADWQLHTP-QGZVFWFLSA-N 0 3 386.492 3.613 20 10 GHCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001231587977 1034741131 /nfs/dbraw/zinc/74/11/31/1034741131.db2.gz KGGGVIADWQLHTP-QGZVFWFLSA-N 0 3 386.492 3.613 20 10 GHCDHN O=C(NC1CCC1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001231589129 1034743738 /nfs/dbraw/zinc/74/37/38/1034743738.db2.gz XMGAJKIUYVRRIV-GOSISDBHSA-N 0 3 394.515 3.585 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001231849687 1034940349 /nfs/dbraw/zinc/94/03/49/1034940349.db2.gz WOXYYRWTELWDTA-DLBZAZTESA-N 0 3 391.556 3.886 20 10 GHCDHN [O-]c1c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc2ccccc21 ZINC001231879931 1034964079 /nfs/dbraw/zinc/96/40/79/1034964079.db2.gz XFSOIDNZBLUSAB-UHFFFAOYSA-N 0 3 376.456 3.592 20 10 GHCDHN [O-]c1c(C[N@H+]2CCc3ncc(CN4CCCCC4)n3CC2)ccc2ccccc21 ZINC001231881170 1034964999 /nfs/dbraw/zinc/96/49/99/1034964999.db2.gz VEXCCFYGFIUNPX-UHFFFAOYSA-N 0 3 390.531 3.786 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCc3ncc(CN4CCCCC4)n3CC2)ccc2ccccc21 ZINC001231881170 1034965002 /nfs/dbraw/zinc/96/50/02/1034965002.db2.gz VEXCCFYGFIUNPX-UHFFFAOYSA-N 0 3 390.531 3.786 20 10 GHCDHN COC(=O)c1cccc(CN(C)Cc2ccc(N3CCOCC3)c(Cl)c2)c1 ZINC001232200653 1035158002 /nfs/dbraw/zinc/15/80/02/1035158002.db2.gz WAOQFWZCUKCUQL-UHFFFAOYSA-N 0 3 388.895 3.595 20 10 GHCDHN F[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1N1CCCCC1 ZINC001232204603 1035160055 /nfs/dbraw/zinc/16/00/55/1035160055.db2.gz SCUCRZRJOHIZBU-PZJWPPBQSA-N 0 3 395.950 3.575 20 10 GHCDHN COc1cc(I)cc(CN2CCCCCCC2)c1O ZINC001248401231 1035814596 /nfs/dbraw/zinc/81/45/96/1035814596.db2.gz SLFFRVYRMJUJCL-UHFFFAOYSA-N 0 3 375.250 3.772 20 10 GHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c1[O-] ZINC001233106463 1038893416 /nfs/dbraw/zinc/89/34/16/1038893416.db2.gz HWLOIOMYXYAAPH-UHFFFAOYSA-N 0 3 387.318 3.762 20 10 GHCDHN Cc1cc(Br)cc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1[O-] ZINC001233106463 1038893438 /nfs/dbraw/zinc/89/34/38/1038893438.db2.gz HWLOIOMYXYAAPH-UHFFFAOYSA-N 0 3 387.318 3.762 20 10 GHCDHN Cc1cc(Br)cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC001233106463 1038893454 /nfs/dbraw/zinc/89/34/54/1038893454.db2.gz HWLOIOMYXYAAPH-UHFFFAOYSA-N 0 3 387.318 3.762 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC001233110347 1038900677 /nfs/dbraw/zinc/90/06/77/1038900677.db2.gz BHAKZORYWMJUGO-KGLIPLIRSA-N 0 3 384.314 3.874 20 10 GHCDHN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC001233110347 1038900678 /nfs/dbraw/zinc/90/06/78/1038900678.db2.gz BHAKZORYWMJUGO-KGLIPLIRSA-N 0 3 384.314 3.874 20 10 GHCDHN [O-]c1c(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001233418360 1039279209 /nfs/dbraw/zinc/27/92/09/1039279209.db2.gz DAELLXXBNCTJKW-QZTJIDSGSA-N 0 3 376.422 3.975 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]4(C3)COCCN(C(C)C)C4)c2c1 ZINC001234535875 1040108215 /nfs/dbraw/zinc/10/82/15/1040108215.db2.gz IELDYRICYOEQIB-DEOSSOPVSA-N 0 3 398.547 3.877 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]4(C3)COCCN(C(C)C)C4)c2c1 ZINC001234535875 1040108222 /nfs/dbraw/zinc/10/82/22/1040108222.db2.gz IELDYRICYOEQIB-DEOSSOPVSA-N 0 3 398.547 3.877 20 10 GHCDHN CCOC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cnn(CC)c21 ZINC001234535793 1040108360 /nfs/dbraw/zinc/10/83/60/1040108360.db2.gz HBZKZFOQATUDEO-SFHVURJKSA-N 0 3 395.503 3.906 20 10 GHCDHN CCOC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)Cc2cnn(CC)c21 ZINC001234535793 1040108366 /nfs/dbraw/zinc/10/83/66/1040108366.db2.gz HBZKZFOQATUDEO-SFHVURJKSA-N 0 3 395.503 3.906 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536256 1040110517 /nfs/dbraw/zinc/11/05/17/1040110517.db2.gz MLIFDQABSMLNPQ-UZUQRXQVSA-N 0 3 385.504 3.962 20 10 GHCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234536256 1040110522 /nfs/dbraw/zinc/11/05/22/1040110522.db2.gz MLIFDQABSMLNPQ-UZUQRXQVSA-N 0 3 385.504 3.962 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)c2c1 ZINC001234568738 1040134745 /nfs/dbraw/zinc/13/47/45/1040134745.db2.gz BUROAQMCEXMICM-KXTWHKPSSA-N 0 3 398.503 3.851 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)c2c1 ZINC001234568738 1040134753 /nfs/dbraw/zinc/13/47/53/1040134753.db2.gz BUROAQMCEXMICM-KXTWHKPSSA-N 0 3 398.503 3.851 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](Oc4cc(C)ncn4)C3)c2c1 ZINC001234568843 1040135040 /nfs/dbraw/zinc/13/50/40/1040135040.db2.gz DNULYAGFVUAKDV-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](Oc4cc(C)ncn4)C3)c2c1 ZINC001234568843 1040135049 /nfs/dbraw/zinc/13/50/49/1040135049.db2.gz DNULYAGFVUAKDV-GOSISDBHSA-N 0 3 379.460 3.696 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)c2c1 ZINC001234568968 1040137394 /nfs/dbraw/zinc/13/73/94/1040137394.db2.gz IBKSXPOHZGGACK-KXBFYZLASA-N 0 3 384.476 3.605 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)c2c1 ZINC001234568968 1040137399 /nfs/dbraw/zinc/13/73/99/1040137399.db2.gz IBKSXPOHZGGACK-KXBFYZLASA-N 0 3 384.476 3.605 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2F)N(C)C)cc1 ZINC001254602917 1040374873 /nfs/dbraw/zinc/37/48/73/1040374873.db2.gz BKBZSSKMXQNDQI-BHIFYINESA-N 0 3 398.526 3.680 20 10 GHCDHN COc1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c([O-])c1Cl ZINC001235385268 1040904207 /nfs/dbraw/zinc/90/42/07/1040904207.db2.gz UNLSIXZGKQIVPC-AVRDEDQJSA-N 0 3 386.923 3.807 20 10 GHCDHN CCN(CC)c1ccc(CN2CCCn3cnc(CNC4CCC4)c3C2)cc1 ZINC001235565125 1040990741 /nfs/dbraw/zinc/99/07/41/1040990741.db2.gz JZZRMJAJTWINOE-UHFFFAOYSA-N 0 3 381.568 3.777 20 10 GHCDHN CN(Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214115 1041624584 /nfs/dbraw/zinc/62/45/84/1041624584.db2.gz PSQZMGLPRLLRII-QWHCGFSZSA-N 0 3 392.135 3.619 20 10 GHCDHN Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001256236681 1041670301 /nfs/dbraw/zinc/67/03/01/1041670301.db2.gz JYLBLFYMODHVOG-WMZHIEFXSA-N 0 3 396.579 3.936 20 10 GHCDHN COc1ccc(N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)cc1 ZINC001256469918 1041749259 /nfs/dbraw/zinc/74/92/59/1041749259.db2.gz SHPWSTBTIDGIEG-PKOBYXMFSA-N 0 3 389.540 3.605 20 10 GHCDHN COc1cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])cc1Br ZINC001236751665 1041872606 /nfs/dbraw/zinc/87/26/06/1041872606.db2.gz WIUCQFTZVIEZPE-AWEZNQCLSA-N 0 3 378.266 3.599 20 10 GHCDHN COc1cc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])cc1Br ZINC001236751665 1041872609 /nfs/dbraw/zinc/87/26/09/1041872609.db2.gz WIUCQFTZVIEZPE-AWEZNQCLSA-N 0 3 378.266 3.599 20 10 GHCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c([O-])c1 ZINC001236785812 1041891305 /nfs/dbraw/zinc/89/13/05/1041891305.db2.gz BUTKKUZTAPZCBG-PGRDOPGGSA-N 0 3 386.467 3.691 20 10 GHCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c([O-])c1 ZINC001236785812 1041891312 /nfs/dbraw/zinc/89/13/12/1041891312.db2.gz BUTKKUZTAPZCBG-PGRDOPGGSA-N 0 3 386.467 3.691 20 10 GHCDHN COc1ccc(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c([O-])c1Cl ZINC001236801818 1041903732 /nfs/dbraw/zinc/90/37/32/1041903732.db2.gz MGMPLGOCTKXBNA-RTBURBONSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1ccc(C[NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)c([O-])c1Cl ZINC001236801818 1041903735 /nfs/dbraw/zinc/90/37/35/1041903735.db2.gz MGMPLGOCTKXBNA-RTBURBONSA-N 0 3 386.923 3.926 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001236806808 1041907984 /nfs/dbraw/zinc/90/79/84/1041907984.db2.gz BKLATNWHVYISFW-JKSUJKDBSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)c([O-])c1 ZINC001236806808 1041907985 /nfs/dbraw/zinc/90/79/85/1041907985.db2.gz BKLATNWHVYISFW-JKSUJKDBSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001236808294 1041908748 /nfs/dbraw/zinc/90/87/48/1041908748.db2.gz OWANIWKOGYCHSK-CVEARBPZSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC001236808294 1041908752 /nfs/dbraw/zinc/90/87/52/1041908752.db2.gz OWANIWKOGYCHSK-CVEARBPZSA-N 0 3 378.513 3.834 20 10 GHCDHN COc1cc(C)c(C[N@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816810 1041914388 /nfs/dbraw/zinc/91/43/88/1041914388.db2.gz XZSOUULKXVILIX-INIZCTEOSA-N 0 3 378.513 3.929 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236816810 1041914391 /nfs/dbraw/zinc/91/43/91/1041914391.db2.gz XZSOUULKXVILIX-INIZCTEOSA-N 0 3 378.513 3.929 20 10 GHCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821702 1041916977 /nfs/dbraw/zinc/91/69/77/1041916977.db2.gz SKJLDXJGFNCVLE-ZWKOTPCHSA-N 0 3 378.513 3.977 20 10 GHCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236821702 1041916978 /nfs/dbraw/zinc/91/69/78/1041916978.db2.gz SKJLDXJGFNCVLE-ZWKOTPCHSA-N 0 3 378.513 3.977 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@@H+]3CCC(C)(C)C3)cc2C1 ZINC001236845789 1041926559 /nfs/dbraw/zinc/92/65/59/1041926559.db2.gz MDLPBTUPFKKTCS-UHFFFAOYSA-N 0 3 376.497 3.754 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[N@H+]3CCC(C)(C)C3)cc2C1 ZINC001236845789 1041926563 /nfs/dbraw/zinc/92/65/63/1041926563.db2.gz MDLPBTUPFKKTCS-UHFFFAOYSA-N 0 3 376.497 3.754 20 10 GHCDHN CC(C)(C)OC(=O)N1CCOc2cc(O)c(CN3CCCC[C@H](F)C3)cc2C1 ZINC001236849454 1041927226 /nfs/dbraw/zinc/92/72/26/1041927226.db2.gz YRVDMWNXCYIPAC-KRWDZBQOSA-N 0 3 394.487 3.846 20 10 GHCDHN CN(CCN(C)Cc1ccc(N2CCOCC2)cc1Cl)Cc1ccccc1 ZINC001236930853 1041963644 /nfs/dbraw/zinc/96/36/44/1041963644.db2.gz PBRKSZPPWHUHOY-UHFFFAOYSA-N 0 3 387.955 3.740 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c([O-])c1 ZINC001237048680 1042008178 /nfs/dbraw/zinc/00/81/78/1042008178.db2.gz MXGWMYOTNFZYTJ-IBGZPJMESA-N 0 3 386.536 3.555 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001237050371 1042008678 /nfs/dbraw/zinc/00/86/78/1042008678.db2.gz ARQSYLAXAJVMRF-UHFFFAOYSA-N 0 3 395.421 3.903 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)c([O-])c1 ZINC001237049965 1042009434 /nfs/dbraw/zinc/00/94/34/1042009434.db2.gz VDNDRFMANYLFHM-INIZCTEOSA-N 0 3 392.297 3.721 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)c([O-])c1 ZINC001237049965 1042009443 /nfs/dbraw/zinc/00/94/43/1042009443.db2.gz VDNDRFMANYLFHM-INIZCTEOSA-N 0 3 392.297 3.721 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001237051103 1042010831 /nfs/dbraw/zinc/01/08/31/1042010831.db2.gz CHZROJKQQFZDGD-ZWKOTPCHSA-N 0 3 381.394 3.511 20 10 GHCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001237051103 1042010842 /nfs/dbraw/zinc/01/08/42/1042010842.db2.gz CHZROJKQQFZDGD-ZWKOTPCHSA-N 0 3 381.394 3.511 20 10 GHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)c([O-])c1 ZINC001237051932 1042011030 /nfs/dbraw/zinc/01/10/30/1042011030.db2.gz OXYIPLZMJPBXEM-SYYKKAFVSA-N 0 3 395.503 3.529 20 10 GHCDHN CC(C)c1ccc(C[N@H+]2C[C@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)c([O-])c1 ZINC001237051932 1042011038 /nfs/dbraw/zinc/01/10/38/1042011038.db2.gz OXYIPLZMJPBXEM-SYYKKAFVSA-N 0 3 395.503 3.529 20 10 GHCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccc(F)cc2)c([O-])c1 ZINC001237054608 1042011724 /nfs/dbraw/zinc/01/17/24/1042011724.db2.gz DBXYBSNFGBIMCQ-UHFFFAOYSA-N 0 3 397.494 3.583 20 10 GHCDHN Oc1cccc(OC(F)(F)F)c1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001237125596 1042053214 /nfs/dbraw/zinc/05/32/14/1042053214.db2.gz NYIMJPHHRDRUEX-LSDHHAIUSA-N 0 3 376.394 3.689 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CCOCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001237486202 1042229315 /nfs/dbraw/zinc/22/93/15/1042229315.db2.gz XNBFMVBXWFRTHB-UHFFFAOYSA-N 0 3 390.524 3.550 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CCOCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001237486202 1042229319 /nfs/dbraw/zinc/22/93/19/1042229319.db2.gz XNBFMVBXWFRTHB-UHFFFAOYSA-N 0 3 390.524 3.550 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001237488393 1042231200 /nfs/dbraw/zinc/23/12/00/1042231200.db2.gz LFFXBBIDNNSIGJ-GOTSBHOMSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC001237488393 1042231203 /nfs/dbraw/zinc/23/12/03/1042231203.db2.gz LFFXBBIDNNSIGJ-GOTSBHOMSA-N 0 3 389.536 3.515 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001237488769 1042231855 /nfs/dbraw/zinc/23/18/55/1042231855.db2.gz PEBLYHBJIFNGEH-GBXCKJPGSA-N 0 3 394.515 3.644 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001237488769 1042231859 /nfs/dbraw/zinc/23/18/59/1042231859.db2.gz PEBLYHBJIFNGEH-GBXCKJPGSA-N 0 3 394.515 3.644 20 10 GHCDHN CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)c2ccccc21 ZINC001237490482 1042233387 /nfs/dbraw/zinc/23/33/87/1042233387.db2.gz VINWNEGHOBYNJG-GOSISDBHSA-N 0 3 378.516 3.858 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1Br ZINC001237683589 1042324051 /nfs/dbraw/zinc/32/40/51/1042324051.db2.gz NUPYSCMZBRHQFR-IBGZPJMESA-N 0 3 387.277 3.559 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1Br ZINC001237683589 1042324063 /nfs/dbraw/zinc/32/40/63/1042324063.db2.gz NUPYSCMZBRHQFR-IBGZPJMESA-N 0 3 387.277 3.559 20 10 GHCDHN Cc1cccnc1O[C@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237685773 1042325910 /nfs/dbraw/zinc/32/59/10/1042325910.db2.gz RAXOGAFBYAAMLV-HNNXBMFYSA-N 0 3 377.282 3.820 20 10 GHCDHN C[N@H+](CCN1CCCC1)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237791343 1042371822 /nfs/dbraw/zinc/37/18/22/1042371822.db2.gz JJQZRPRSUFZNLM-UHFFFAOYSA-N 0 3 381.236 3.701 20 10 GHCDHN C[N@@H+](CCN1CCCC1)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237791343 1042371828 /nfs/dbraw/zinc/37/18/28/1042371828.db2.gz JJQZRPRSUFZNLM-UHFFFAOYSA-N 0 3 381.236 3.701 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(Cl)c2F)N(C)C)cc1 ZINC001463282381 1070961639 /nfs/dbraw/zinc/96/16/39/1070961639.db2.gz OBQGMHFRJHSPIR-MRXNPFEDSA-N 0 3 381.854 3.717 20 10 GHCDHN Cc1ccc(Br)c(CNCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001308439281 1049976586 /nfs/dbraw/zinc/97/65/86/1049976586.db2.gz CQNFUSSMFTUHNQ-UHFFFAOYSA-N 0 3 388.353 3.799 20 10 GHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001308643519 1050044792 /nfs/dbraw/zinc/04/47/92/1050044792.db2.gz VNSYGDIUBHSMMY-LJQANCHMSA-N 0 3 375.875 3.749 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC001308914421 1050164359 /nfs/dbraw/zinc/16/43/59/1050164359.db2.gz CIWGGFCZPBEXMQ-MRXNPFEDSA-N 0 3 391.336 3.619 20 10 GHCDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000755223090 1050346225 /nfs/dbraw/zinc/34/62/25/1050346225.db2.gz KQHHEWVCPVLOLD-HNNXBMFYSA-N 0 3 392.500 3.588 20 10 GHCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1C ZINC000755925710 1050860826 /nfs/dbraw/zinc/86/08/26/1050860826.db2.gz PJXRZPSWSTWEDY-NHYWBVRUSA-N 0 3 378.266 3.549 20 10 GHCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1C ZINC000755925710 1050860843 /nfs/dbraw/zinc/86/08/43/1050860843.db2.gz PJXRZPSWSTWEDY-NHYWBVRUSA-N 0 3 378.266 3.549 20 10 GHCDHN COc1ccc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)cc1O ZINC000848524771 1057148975 /nfs/dbraw/zinc/14/89/75/1057148975.db2.gz HNZHTSLAGKBHJQ-JTQLQIEISA-N 0 3 382.254 3.728 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000848531627 1057153588 /nfs/dbraw/zinc/15/35/88/1057153588.db2.gz QCLLSAPFROFTDT-NSHDSACASA-N 0 3 388.302 3.936 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1[O-] ZINC000848536584 1057159162 /nfs/dbraw/zinc/15/91/62/1057159162.db2.gz RUILNZGWPKAQDP-LLVKDONJSA-N 0 3 392.297 3.724 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848569176 1057184684 /nfs/dbraw/zinc/18/46/84/1057184684.db2.gz WINMKMQVGPTKHE-VBNZEHGJSA-N 0 3 383.330 3.831 20 10 GHCDHN COC(=O)c1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)o1 ZINC000848898497 1057405877 /nfs/dbraw/zinc/40/58/77/1057405877.db2.gz VNTDRBOUMZTCKJ-OAHLLOKOSA-N 0 3 394.418 3.735 20 10 GHCDHN Cc1ccc2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)ccc2c1 ZINC001439958970 1058365612 /nfs/dbraw/zinc/36/56/12/1058365612.db2.gz AMDNJCHJICXNDI-JOCHJYFZSA-N 0 3 376.504 3.642 20 10 GHCDHN CC1CCN(c2ccc(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)cc2)CC1 ZINC001443660641 1059169496 /nfs/dbraw/zinc/16/94/96/1059169496.db2.gz CMXFOENYVKFULI-JOCHJYFZSA-N 0 3 375.532 3.752 20 10 GHCDHN Cc1cc(C(=O)N[C@@H](CO)CN2CCCCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001449341247 1060387265 /nfs/dbraw/zinc/38/72/65/1060387265.db2.gz YNPCJQALUCMECV-OAQYLSRUSA-N 0 3 397.563 3.794 20 10 GHCDHN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC[C@H]3CCCCN32)cc1 ZINC001452604650 1060971002 /nfs/dbraw/zinc/97/10/02/1060971002.db2.gz AQVAXKGYBRUJEX-MSOLQXFVSA-N 0 3 383.458 3.660 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3c(F)cc(OC)cc3Cl)c2)CC1 ZINC001435974162 1063050867 /nfs/dbraw/zinc/05/08/67/1063050867.db2.gz IGTOODWRMCFDHW-UHFFFAOYSA-N 0 3 391.874 3.882 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2oc(C3CC3)nc2C(F)F)N(C)C)cc1 ZINC001349957441 1063951965 /nfs/dbraw/zinc/95/19/65/1063951965.db2.gz QJNJBHAJFOMWHP-HNNXBMFYSA-N 0 3 392.450 3.588 20 10 GHCDHN Cc1ccccc1C[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001468433608 1067729953 /nfs/dbraw/zinc/72/99/53/1067729953.db2.gz QKUNQMSZBMYKFZ-AVRDEDQJSA-N 0 3 382.552 3.594 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001468744285 1067857380 /nfs/dbraw/zinc/85/73/80/1067857380.db2.gz RKBRABHPYBEMJD-QHCPKHFHSA-N 0 3 380.536 3.525 20 10 GHCDHN CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765257119 1068112406 /nfs/dbraw/zinc/11/24/06/1068112406.db2.gz WILYDTCWSWNCIN-GHTZIAJQSA-N 0 3 396.491 3.537 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCc3c(F)cccc32)N(C)C)cc1 ZINC001470360488 1068700053 /nfs/dbraw/zinc/70/00/53/1068700053.db2.gz AGUSASVWFJAPBO-YADHBBJMSA-N 0 3 398.526 3.871 20 10 GHCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(F)c1F ZINC001478254284 1078786832 /nfs/dbraw/zinc/78/68/32/1078786832.db2.gz FYGJDGACKXMYIA-KUHUBIRLSA-N 0 3 390.478 3.694 20 10 GHCDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1OC ZINC001471141233 1072938640 /nfs/dbraw/zinc/93/86/40/1072938640.db2.gz LEUIBQBCWBCMQS-LEWJYISDSA-N 0 3 398.551 3.814 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NC(=O)NCc3c(O)ccc4c3CCCC4)C2)cc1 ZINC001479156007 1079127675 /nfs/dbraw/zinc/12/76/75/1079127675.db2.gz LZTDZEIDYLOIHJ-HXUWFJFHSA-N 0 3 393.531 3.653 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC2CCC(F)(F)CC2)N(C)C)cc1 ZINC001479533003 1079224161 /nfs/dbraw/zinc/22/41/61/1079224161.db2.gz HIVXXBPKCQIBIQ-LJQANCHMSA-N 0 3 396.526 3.870 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]2c2ccc(F)cc2)N(C)C)cc1 ZINC001479533461 1079224259 /nfs/dbraw/zinc/22/42/59/1079224259.db2.gz IESHMYRDXVMQGV-SFTDATJTSA-N 0 3 384.499 3.651 20 10 GHCDHN CO[C@@](C)(CNCc1cc(F)c(N(C)C)cc1F)COCc1ccccc1 ZINC001474205317 1074292967 /nfs/dbraw/zinc/29/29/67/1074292967.db2.gz RNKLGCWWAABZQF-NRFANRHFSA-N 0 3 378.463 3.742 20 10 GHCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000728948975 844273626 /nfs/dbraw/zinc/27/36/26/844273626.db2.gz LRXBDXFWVWJCGB-BQFCYCMXSA-N 0 3 383.492 3.597 20 10 GHCDHN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182436676 839070546 /nfs/dbraw/zinc/07/05/46/839070546.db2.gz BMGUSBBRBSDXJZ-KXBFYZLASA-N 0 3 386.492 3.718 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)c(N)c2Cl)N(C)C)cc1 ZINC000891249086 839329903 /nfs/dbraw/zinc/32/99/03/839329903.db2.gz PHMRGNBLMCHFRO-MRXNPFEDSA-N 0 3 395.334 3.674 20 10 GHCDHN CCCOc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000277116317 844629421 /nfs/dbraw/zinc/62/94/21/844629421.db2.gz YDZZNWDHNFNOOY-UHFFFAOYSA-N 0 3 383.897 3.528 20 10 GHCDHN CCCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c([O-])c1 ZINC000277116317 844629429 /nfs/dbraw/zinc/62/94/29/844629429.db2.gz YDZZNWDHNFNOOY-UHFFFAOYSA-N 0 3 383.897 3.528 20 10 GHCDHN COc1cccc([C@@H](C)N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000728908793 843288000 /nfs/dbraw/zinc/28/80/00/843288000.db2.gz ODYDZMMNMYCCKZ-QGZVFWFLSA-N 0 3 377.488 3.828 20 10 GHCDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]c1C(C)C ZINC000894208737 844817356 /nfs/dbraw/zinc/81/73/56/844817356.db2.gz KZMKFLNAMZXXBM-INIZCTEOSA-N 0 3 385.508 3.612 20 10 GHCDHN Cc1nccn1-c1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000280069827 846288574 /nfs/dbraw/zinc/28/85/74/846288574.db2.gz XNBUJXYLVSWRGG-UHFFFAOYSA-N 0 3 389.425 3.950 20 10 GHCDHN C[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000161961550 848775946 /nfs/dbraw/zinc/77/59/46/848775946.db2.gz CWAFRCTXZSKUIE-INIZCTEOSA-N 0 3 386.467 3.674 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)NCc3ccc(N(C)C)cc3)c(C)c2)CC1 ZINC000031728125 851063307 /nfs/dbraw/zinc/06/33/07/851063307.db2.gz MRWRRWKZOZBYSJ-UHFFFAOYSA-N 0 3 395.551 3.525 20 10 GHCDHN COc1cc(O)c(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000289241272 852946522 /nfs/dbraw/zinc/94/65/22/852946522.db2.gz DSXQAPLHAPTZDX-HNNXBMFYSA-N 0 3 386.275 3.930 20 10 GHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c([O-])c1 ZINC000760042111 855823807 /nfs/dbraw/zinc/82/38/07/855823807.db2.gz SPSNJWGKHQDUOW-GDBMZVCRSA-N 0 3 378.310 3.965 20 10 GHCDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)c2ccccc2O1 ZINC000760818763 855885804 /nfs/dbraw/zinc/88/58/04/855885804.db2.gz RGQSRJUQTKERML-JQPIKURYSA-N 0 3 385.533 3.810 20 10 GHCDHN Cc1cc(Br)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1[O-] ZINC000281150423 862873261 /nfs/dbraw/zinc/87/32/61/862873261.db2.gz FMMBPGBQLIGTEG-UHFFFAOYSA-N 0 3 382.327 3.678 20 10 GHCDHN CC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613964 863065411 /nfs/dbraw/zinc/06/54/11/863065411.db2.gz SIKAOSPIKTUJLN-OAQYLSRUSA-N 0 3 383.488 3.779 20 10 GHCDHN CC(=O)c1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000733613964 863065425 /nfs/dbraw/zinc/06/54/25/863065425.db2.gz SIKAOSPIKTUJLN-OAQYLSRUSA-N 0 3 383.488 3.779 20 10 GHCDHN COc1cc(O)c(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1OC ZINC000895704637 859830581 /nfs/dbraw/zinc/83/05/81/859830581.db2.gz QIWDTWJHXKWWQI-KRWDZBQOSA-N 0 3 385.460 3.572 20 10 GHCDHN CCc1nc2c(s1)[C@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCC2 ZINC000765251432 859866952 /nfs/dbraw/zinc/86/69/52/859866952.db2.gz FQDJYDUJJNNYRP-FUHWJXTLSA-N 0 3 398.576 3.574 20 10 GHCDHN CC[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765400728 859954347 /nfs/dbraw/zinc/95/43/47/859954347.db2.gz NAUUADZFZDUDON-LJQANCHMSA-N 0 3 380.941 3.921 20 10 GHCDHN C[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765426697 859966218 /nfs/dbraw/zinc/96/62/18/859966218.db2.gz SSYZCHZNWXTREX-CHWSQXEVSA-N 0 3 380.838 3.795 20 10 GHCDHN CN(C)c1ccc(CN(C)C[C@H](O)COCc2ccccc2)c(C(F)(F)F)c1 ZINC000792794306 881672148 /nfs/dbraw/zinc/67/21/48/881672148.db2.gz ZDXCMYWZDXFINA-IBGZPJMESA-N 0 3 396.453 3.781 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000734468059 864227373 /nfs/dbraw/zinc/22/73/73/864227373.db2.gz HORSDWVBAQUINA-FQEVSTJZSA-N 0 3 383.511 3.729 20 10 GHCDHN CC1CCC(N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC000734525388 864278130 /nfs/dbraw/zinc/27/81/30/864278130.db2.gz GNYXZMHXMDFFGV-UHFFFAOYSA-N 0 3 384.568 3.693 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000734526362 864278445 /nfs/dbraw/zinc/27/84/45/864278445.db2.gz QGFDXOBOSIOSJI-OAQYLSRUSA-N 0 3 380.536 3.525 20 10 GHCDHN CN(C)c1ccc(CNCc2ccc(Cn3cncn3)cc2)c(C(F)(F)F)c1 ZINC000792899922 881785828 /nfs/dbraw/zinc/78/58/28/881785828.db2.gz OJRXIGIUFJAHBA-UHFFFAOYSA-N 0 3 389.425 3.701 20 10 GHCDHN Cc1ccc2c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000070976310 866225700 /nfs/dbraw/zinc/22/57/00/866225700.db2.gz SFNADPZHFZFWLJ-IBGZPJMESA-N 0 3 379.456 3.988 20 10 GHCDHN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000743529440 868249333 /nfs/dbraw/zinc/24/93/33/868249333.db2.gz FKDVSIPWKVUWAJ-QFIPXVFZSA-N 0 3 393.531 3.907 20 10 GHCDHN C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)N(C)Cc1ccccc1 ZINC000743603977 868296968 /nfs/dbraw/zinc/29/69/68/868296968.db2.gz JYLSGHZMDMXCCU-KRWDZBQOSA-N 0 3 381.520 3.591 20 10 GHCDHN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000793558842 882266153 /nfs/dbraw/zinc/26/61/53/882266153.db2.gz IJTJHNJRPVKAIC-SNVBAGLBSA-N 0 3 391.386 3.804 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1F ZINC000793606833 882317475 /nfs/dbraw/zinc/31/74/75/882317475.db2.gz ZIKQMBZBILJFBG-OAQYLSRUSA-N 0 3 377.504 3.725 20 10 GHCDHN CCc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920870880 882427392 /nfs/dbraw/zinc/42/73/92/882427392.db2.gz UGLIVAFFQKEDJD-MSOLQXFVSA-N 0 3 381.520 3.763 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)[C@@H](O)CO2 ZINC000767508673 872580665 /nfs/dbraw/zinc/58/06/65/872580665.db2.gz VLAOKGLYBKJDPG-ACJLOTCBSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)[C@@H](O)CO2 ZINC000767508673 872580671 /nfs/dbraw/zinc/58/06/71/872580671.db2.gz VLAOKGLYBKJDPG-ACJLOTCBSA-N 0 3 379.378 3.826 20 10 GHCDHN [O-]c1cc(Br)ccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000691448297 873257802 /nfs/dbraw/zinc/25/78/02/873257802.db2.gz FPXIDTXGDSTSEU-UHFFFAOYSA-N 0 3 375.310 3.909 20 10 GHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)[C@H](O)CO2 ZINC000768438184 873301821 /nfs/dbraw/zinc/30/18/21/873301821.db2.gz PAVFVKBRSSRXHL-FZKQIMNGSA-N 0 3 382.485 3.807 20 10 GHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)[C@H](O)CO2 ZINC000768438184 873301834 /nfs/dbraw/zinc/30/18/34/873301834.db2.gz PAVFVKBRSSRXHL-FZKQIMNGSA-N 0 3 382.485 3.807 20 10 GHCDHN COc1ccc(CCC2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)cc1 ZINC000768441431 873306390 /nfs/dbraw/zinc/30/63/90/873306390.db2.gz IGQKYIZUPBPPCT-JOCHJYFZSA-N 0 3 383.488 3.671 20 10 GHCDHN CNS(=O)(=O)C1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000769389856 874016483 /nfs/dbraw/zinc/01/64/83/874016483.db2.gz QZRVPGGMFFBDLU-UHFFFAOYSA-N 0 3 396.597 3.501 20 10 GHCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769500396 874108950 /nfs/dbraw/zinc/10/89/50/874108950.db2.gz ZACSDIHUQVJHEW-OAHLLOKOSA-N 0 3 389.437 3.515 20 10 GHCDHN C[C@@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775836931 874332778 /nfs/dbraw/zinc/33/27/78/874332778.db2.gz PHGHUPNCZZGLLI-IERDGZPVSA-N 0 3 394.544 3.766 20 10 GHCDHN C[C@@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775836932 874333031 /nfs/dbraw/zinc/33/30/31/874333031.db2.gz PHGHUPNCZZGLLI-IIBYNOLFSA-N 0 3 394.544 3.766 20 10 GHCDHN CC(C)OCc1cccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833943 874344192 /nfs/dbraw/zinc/34/41/92/874344192.db2.gz HZPVPAHWFWKWMJ-GOSISDBHSA-N 0 3 383.536 3.645 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)CC1 ZINC000770145856 874496579 /nfs/dbraw/zinc/49/65/79/874496579.db2.gz APGKNWKPENDUDB-UHFFFAOYSA-N 0 3 388.855 3.642 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)c2)CC1 ZINC000770148174 874500876 /nfs/dbraw/zinc/50/08/76/874500876.db2.gz QVUAWCJEAPXVET-HXUWFJFHSA-N 0 3 379.504 3.585 20 10 GHCDHN Cc1cc(N(C)C)ccc1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000770738113 874860300 /nfs/dbraw/zinc/86/03/00/874860300.db2.gz FUAUKMABVNXHPJ-UHFFFAOYSA-N 0 3 386.971 3.756 20 10 GHCDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000776236801 875996750 /nfs/dbraw/zinc/99/67/50/875996750.db2.gz BMJCQDLWRNUUBE-QGZVFWFLSA-N 0 3 386.515 3.726 20 10 GHCDHN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000786577680 876767326 /nfs/dbraw/zinc/76/73/26/876767326.db2.gz CNGJSDYUUMMFGK-QFIPXVFZSA-N 0 3 377.484 3.973 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1[O-] ZINC000850378291 876863894 /nfs/dbraw/zinc/86/38/94/876863894.db2.gz XEPDCSHPORNGCK-RDJZCZTQSA-N 0 3 392.293 3.826 20 10 GHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000850558173 877025882 /nfs/dbraw/zinc/02/58/82/877025882.db2.gz UYHQNMNNSYUOKD-GMAHTHKFSA-N 0 3 380.532 3.909 20 10 GHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(-c2ccccc2)nn1C ZINC000850568098 877035693 /nfs/dbraw/zinc/03/56/93/877035693.db2.gz PFRMFCSBRSTUHP-GOSISDBHSA-N 0 3 390.531 3.899 20 10 GHCDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000093365022 912223348 /nfs/dbraw/zinc/22/33/48/912223348.db2.gz YWDZTPSUBOHFHU-LJQANCHMSA-N 0 3 375.513 3.937 20 10 GHCDHN COc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccn1 ZINC000788543030 878138163 /nfs/dbraw/zinc/13/81/63/878138163.db2.gz RGWDVRQPDNMMLG-CQSZACIVSA-N 0 3 395.425 3.796 20 10 GHCDHN CCN1CCN(c2ccc(CN[C@@H]3CCCc4ccc(O)cc43)cc2F)CC1 ZINC000788594484 878193825 /nfs/dbraw/zinc/19/38/25/878193825.db2.gz NFDCVPJAIXYBFQ-JOCHJYFZSA-N 0 3 383.511 3.840 20 10 GHCDHN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(N4CCCCCC4)cc3)C2=O)n(C)n1 ZINC000181191459 880053765 /nfs/dbraw/zinc/05/37/65/880053765.db2.gz GRBBSGDHCRBTMA-NQIIRXRSSA-N 0 3 395.551 3.565 20 10 GHCDHN CCN(C)c1ccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000790948589 880094107 /nfs/dbraw/zinc/09/41/07/880094107.db2.gz LCKXWQBETDZSEJ-CALCHBBNSA-N 0 3 386.515 3.580 20 10 GHCDHN CCN1CCN(c2ccc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cc2F)CC1 ZINC000790960903 880103146 /nfs/dbraw/zinc/10/31/46/880103146.db2.gz LEYWBKUCEQOYST-UHFFFAOYSA-N 0 3 395.881 3.756 20 10 GHCDHN CN1CCCc2cc(CNC(=O)NC[C@@H](c3cccs3)N3CCCC3)ccc21 ZINC000746986322 880251632 /nfs/dbraw/zinc/25/16/32/880251632.db2.gz ZBRSCVWNQUXEDO-FQEVSTJZSA-N 0 3 398.576 3.767 20 10 GHCDHN C[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858528700 883175901 /nfs/dbraw/zinc/17/59/01/883175901.db2.gz FATQNOUZJZYUCK-YCRPNKLZSA-N 0 3 399.922 3.654 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)c1[O-] ZINC000858533066 883180202 /nfs/dbraw/zinc/18/02/02/883180202.db2.gz QGVCTANLYCWRMU-SWLSCSKDSA-N 0 3 383.330 3.831 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[O-] ZINC000858538255 883183176 /nfs/dbraw/zinc/18/31/76/883183176.db2.gz UPRHAHLQAYNNFN-MZKGEVEHSA-N 0 3 393.281 3.745 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c1[O-] ZINC000858539214 883183509 /nfs/dbraw/zinc/18/35/09/883183509.db2.gz AWNCYEDMQRTKCH-LLVKDONJSA-N 0 3 391.265 3.759 20 10 GHCDHN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000858564527 883201032 /nfs/dbraw/zinc/20/10/32/883201032.db2.gz ORRVKNDAWYHNFW-QGZVFWFLSA-N 0 3 395.503 3.737 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1[O-] ZINC000191501710 884188188 /nfs/dbraw/zinc/18/81/88/884188188.db2.gz FWTRQYQLPOBFGD-UHFFFAOYSA-N 0 3 393.274 3.887 20 10 GHCDHN OC1CCN(c2ccc(CN[C@@H]3CCc4nc(Cl)ccc43)cc2F)CC1 ZINC000806132937 884350628 /nfs/dbraw/zinc/35/06/28/884350628.db2.gz CUUSJAJSEXFXKO-QGZVFWFLSA-N 0 3 375.875 3.612 20 10 GHCDHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(C)cc1[O-] ZINC000806170705 884393308 /nfs/dbraw/zinc/39/33/08/884393308.db2.gz ZXEXPOHDGHGGAO-PMACEKPBSA-N 0 3 398.503 3.560 20 10 GHCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1C ZINC000860699150 884926083 /nfs/dbraw/zinc/92/60/83/884926083.db2.gz CLXDJFIXJOWXSO-KRWDZBQOSA-N 0 3 379.504 3.595 20 10 GHCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC2(CC1)OCCO2 ZINC000026609467 885344259 /nfs/dbraw/zinc/34/42/59/885344259.db2.gz GMZCLHYUAGVLKM-UHFFFAOYSA-N 0 3 378.266 3.647 20 10 GHCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000919786156 886364572 /nfs/dbraw/zinc/36/45/72/886364572.db2.gz RAOGMWGZFVAJNV-SIKLNZKXSA-N 0 3 392.547 3.922 20 10 GHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1[O-] ZINC000808676842 886676836 /nfs/dbraw/zinc/67/68/36/886676836.db2.gz LZVYBEAWLJRQKZ-LSDHHAIUSA-N 0 3 375.900 3.825 20 10 GHCDHN COc1cc(C[C@H](CO)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc(OC)c1 ZINC000808700163 886721997 /nfs/dbraw/zinc/72/19/97/886721997.db2.gz INIAWMLOWNXHIP-HOCLYGCPSA-N 0 3 393.911 3.873 20 10 GHCDHN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(C)c(C)cc1O ZINC000915825462 887594200 /nfs/dbraw/zinc/59/42/00/887594200.db2.gz VTAIQEYIXFBQMQ-LJQANCHMSA-N 0 3 399.487 3.689 20 10 GHCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1OC ZINC000810254338 888358885 /nfs/dbraw/zinc/35/88/85/888358885.db2.gz BRDSCJAVZZDCPE-IATAILRESA-N 0 3 389.467 3.680 20 10 GHCDHN CCC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(C)ccn1 ZINC000866239187 888793144 /nfs/dbraw/zinc/79/31/44/888793144.db2.gz SNFMSMTYVBIDRS-CTNGQTDRSA-N 0 3 380.536 3.723 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000866435747 888876539 /nfs/dbraw/zinc/87/65/39/888876539.db2.gz FKYDIYDINCJVNM-CABZTGNLSA-N 0 3 393.207 3.509 20 10 GHCDHN Cc1cc(C(=O)CN2CC[C@H]3CN(C)C[C@H]32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000794948312 889035563 /nfs/dbraw/zinc/03/55/63/889035563.db2.gz ILVPMPJERZWHBS-MGPUTAFESA-N 0 3 389.902 3.705 20 10 GHCDHN CCOc1cccc(CN2CCCC[C@H]2COC(=O)NC2CCCC2)c1O ZINC000811511287 889704122 /nfs/dbraw/zinc/70/41/22/889704122.db2.gz XBFNZCUBYOFASA-SFHVURJKSA-N 0 3 376.497 3.814 20 10 GHCDHN C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000287499820 913374233 /nfs/dbraw/zinc/37/42/33/913374233.db2.gz YIQOQSPSBATNEM-DLBZAZTESA-N 0 3 382.504 3.932 20 10 GHCDHN COc1c([O-])c(CN(C)Cc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000774820001 913645482 /nfs/dbraw/zinc/64/54/82/913645482.db2.gz SNFHAZLLTHGCMW-UHFFFAOYSA-N 0 3 387.255 3.765 20 10 GHCDHN COc1c(O)c(CN(C)Cc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000774820001 913645487 /nfs/dbraw/zinc/64/54/87/913645487.db2.gz SNFHAZLLTHGCMW-UHFFFAOYSA-N 0 3 387.255 3.765 20 10 GHCDHN CN(C)c1ccc(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC000814177098 892333470 /nfs/dbraw/zinc/33/34/70/892333470.db2.gz XRGIPOUDXQEGPA-AEFFLSMTSA-N 0 3 377.504 3.723 20 10 GHCDHN OC1CCN(c2ccc(CN(Cc3cccs3)C[C@H]3CCCO3)cc2)CC1 ZINC000876548848 893222657 /nfs/dbraw/zinc/22/26/57/893222657.db2.gz VNZVPVCLKNDMJW-OAQYLSRUSA-N 0 3 386.561 3.890 20 10 GHCDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881733 893463571 /nfs/dbraw/zinc/46/35/71/893463571.db2.gz FUGOSZAXEJHGSG-MGPUTAFESA-N 0 3 389.927 3.592 20 10 GHCDHN COc1cccc(C(F)F)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881741 893468498 /nfs/dbraw/zinc/46/84/98/893468498.db2.gz GGLFGYPXMHHPSY-QGZVFWFLSA-N 0 3 391.462 3.732 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)N(C)C)cc1 ZINC001134882024 893504422 /nfs/dbraw/zinc/50/44/22/893504422.db2.gz KIAPQWNSOVQQPP-SFTDATJTSA-N 0 3 395.547 3.816 20 10 GHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)s2)N(C)C)cc1 ZINC001134882266 893504689 /nfs/dbraw/zinc/50/46/89/893504689.db2.gz NXQJXPJJUMQIMS-CQSZACIVSA-N 0 3 396.354 3.609 20 10 GHCDHN COc1ccccc1[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882622 893506977 /nfs/dbraw/zinc/50/69/77/893506977.db2.gz SATUSVYQTRCJQV-LAUBAEHRSA-N 0 3 383.536 3.674 20 10 GHCDHN CCN1CCN(Cc2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])cc2)CC1 ZINC000816535271 894903906 /nfs/dbraw/zinc/90/39/06/894903906.db2.gz KSZNXFKGRTUORR-UHFFFAOYSA-N 0 3 391.918 3.612 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817943548 895972433 /nfs/dbraw/zinc/97/24/33/895972433.db2.gz VHAVFKQONHJHJB-FZKQIMNGSA-N 0 3 392.341 3.880 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 ZINC000818219149 896082604 /nfs/dbraw/zinc/08/26/04/896082604.db2.gz CKTPFLZMFUEULN-AWEZNQCLSA-N 0 3 375.856 3.873 20 10 GHCDHN COc1ccc(N2CC[C@@H](CNCc3nc4cc(Cl)ccc4n3C)C2)cc1 ZINC000818221865 896086824 /nfs/dbraw/zinc/08/68/24/896086824.db2.gz OLHUTAPEQAACHG-HNNXBMFYSA-N 0 3 384.911 3.851 20 10 GHCDHN COc1ccc(O)c(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000826210073 896323394 /nfs/dbraw/zinc/32/33/94/896323394.db2.gz CQRBOIBLJCGGTN-UHFFFAOYSA-N 0 3 393.472 3.599 20 10 GHCDHN COc1ccc(O)c(C[NH2+]Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000826210073 896323406 /nfs/dbraw/zinc/32/34/06/896323406.db2.gz CQRBOIBLJCGGTN-UHFFFAOYSA-N 0 3 393.472 3.599 20 10 GHCDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000820496360 897361357 /nfs/dbraw/zinc/36/13/57/897361357.db2.gz HUELOULUPTTZAC-IBGZPJMESA-N 0 3 379.464 3.586 20 10 GHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(C)cc(=O)[nH]c4c3)c2)CC1 ZINC000289681326 914293483 /nfs/dbraw/zinc/29/34/83/914293483.db2.gz DQJPBROZSIEUKT-UHFFFAOYSA-N 0 3 390.487 3.643 20 10 GHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133789801 899000346 /nfs/dbraw/zinc/00/03/46/899000346.db2.gz XIKMBNJSECZZFP-IRXDYDNUSA-N 0 3 389.565 3.805 20 10 GHCDHN COc1cc(Br)cc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1[O-] ZINC000824589118 899706418 /nfs/dbraw/zinc/70/64/18/899706418.db2.gz AJRBAKNOLAWBON-INIZCTEOSA-N 0 3 380.282 3.511 20 10 GHCDHN COc1cc(O)c(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1OC ZINC000824672655 899756445 /nfs/dbraw/zinc/75/64/45/899756445.db2.gz DXRRAUOYAYSQEI-HNNXBMFYSA-N 0 3 385.382 3.642 20 10 GHCDHN C[C@@H](NC[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000886764175 901259950 /nfs/dbraw/zinc/25/99/50/901259950.db2.gz MZVFEVNMVOAMLM-BZSOYRFXSA-N 0 3 394.943 3.554 20 10 GHCDHN CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144307786 901698923 /nfs/dbraw/zinc/69/89/23/901698923.db2.gz HTTIIVHZZKAFFI-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144307786 901699151 /nfs/dbraw/zinc/69/91/51/901699151.db2.gz HTTIIVHZZKAFFI-UHFFFAOYSA-N 0 3 381.289 3.858 20 10 GHCDHN CCN1CCN(c2ccc(NC(=O)N(C)Cc3ccccc3O)c(C)c2)CC1 ZINC000047373478 901936604 /nfs/dbraw/zinc/93/66/04/901936604.db2.gz XREJBSRXJZPSOB-UHFFFAOYSA-N 0 3 382.508 3.506 20 10 GHCDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Br)cc(OC)c2[O-])c1 ZINC000845971834 902552808 /nfs/dbraw/zinc/55/28/08/902552808.db2.gz FJXYRQLJHIGTEE-SNVBAGLBSA-N 0 3 382.254 3.728 20 10 GHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000779003320 902710224 /nfs/dbraw/zinc/71/02/24/902710224.db2.gz MPGZOVITSRCLLT-ABAIWWIYSA-N 0 3 376.298 3.770 20 10 GHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1[O-] ZINC000779010630 902775119 /nfs/dbraw/zinc/77/51/19/902775119.db2.gz FNWONUGVCIROLU-ZDUSSCGKSA-N 0 3 383.330 3.953 20 10 GHCDHN C[C@H]1CN([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])c2c(F)cccc2Cl)CCO1 ZINC000779054470 903581503 /nfs/dbraw/zinc/58/15/03/903581503.db2.gz DPSRIKQECOSDBU-UGSOOPFHSA-N 0 3 396.865 3.875 20 10 GHCDHN C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000773038712 904394956 /nfs/dbraw/zinc/39/49/56/904394956.db2.gz BJJIHAQJOVEQPZ-QGZVFWFLSA-N 0 3 384.545 3.858 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC(C)(C)C[C@H]1c1ccccc1)cc2=O ZINC001171406191 904515251 /nfs/dbraw/zinc/51/52/51/904515251.db2.gz AKGNFKLUBLCCOF-SFHVURJKSA-N 0 3 394.475 3.585 20 10 GHCDHN [O-]c1cc(O)ccc1C[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171994882 905207055 /nfs/dbraw/zinc/20/70/55/905207055.db2.gz NBOXGVOCSWNKTQ-UHFFFAOYSA-N 0 3 377.282 3.619 20 10 GHCDHN CCCCN(CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1O ZINC000801595431 921173458 /nfs/dbraw/zinc/17/34/58/921173458.db2.gz BAJLIAROSVXDNY-UHFFFAOYSA-N 0 3 398.532 3.939 20 10 GHCDHN COc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(F)c1 ZINC001177810069 908765784 /nfs/dbraw/zinc/76/57/84/908765784.db2.gz GEJRDPSEZHIYOD-QGZVFWFLSA-N 0 3 378.875 3.948 20 10 GHCDHN COc1ccc(N2CCCN(Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000092380872 911505501 /nfs/dbraw/zinc/50/55/01/911505501.db2.gz WVDBLGWEXHPSQB-UHFFFAOYSA-N 0 3 380.517 3.926 20 10 GHCDHN CN(c1ccccc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000092643308 911672770 /nfs/dbraw/zinc/67/27/70/911672770.db2.gz YJYKNTONBQUAHI-UHFFFAOYSA-N 0 3 383.511 3.763 20 10 GHCDHN COc1cccc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1O ZINC000092709862 911732666 /nfs/dbraw/zinc/73/26/66/911732666.db2.gz XMNHTJWYWZIXLT-UHFFFAOYSA-N 0 3 389.883 3.794 20 10 GHCDHN Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000303816210 915169624 /nfs/dbraw/zinc/16/96/24/915169624.db2.gz ZZIZWTGATSIHNL-CTNGQTDRSA-N 0 3 379.548 3.897 20 10 GHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)COCc1ccccc1F ZINC000098072152 916162382 /nfs/dbraw/zinc/16/23/82/916162382.db2.gz RSALUYUKPXEVNC-LJQANCHMSA-N 0 3 385.435 3.704 20 10 GHCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC3(C1)CCCCCC3)cc2=O ZINC001191350963 917920894 /nfs/dbraw/zinc/92/08/94/917920894.db2.gz UORBRJPERSACGH-UHFFFAOYSA-N 0 3 386.496 3.548 20 10 GHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000113359296 919367416 /nfs/dbraw/zinc/36/74/16/919367416.db2.gz YHNMVHBKPHWPQU-IBGZPJMESA-N 0 3 397.910 3.585 20 10 GHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC000389783081 926387751 /nfs/dbraw/zinc/38/77/51/926387751.db2.gz GDTNRBBFKCPKPM-SWLSCSKDSA-N 0 3 384.904 3.789 20 10 GHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000725848633 926466489 /nfs/dbraw/zinc/46/64/89/926466489.db2.gz ZDXAQLBTSUOFJC-CQSZACIVSA-N 0 3 391.309 3.779 20 10 GHCDHN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753542713 929401553 /nfs/dbraw/zinc/40/15/53/929401553.db2.gz NPWLRCOJMOKHIZ-FQEVSTJZSA-N 0 3 380.488 3.558 20 10 GHCDHN O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000753542713 929401563 /nfs/dbraw/zinc/40/15/63/929401563.db2.gz NPWLRCOJMOKHIZ-FQEVSTJZSA-N 0 3 380.488 3.558 20 10 GHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000753570144 929423808 /nfs/dbraw/zinc/42/38/08/929423808.db2.gz IJBGZXJOEFSGML-DEOSSOPVSA-N 0 3 375.468 3.895 20 10 GHCDHN CN(C)[C@@H](CNC(=O)CSc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000759713220 930462432 /nfs/dbraw/zinc/46/24/32/930462432.db2.gz HMMHZSVZTKMMKB-HNNXBMFYSA-N 0 3 377.579 3.952 20 10 GHCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1[O-] ZINC000690673304 930608246 /nfs/dbraw/zinc/60/82/46/930608246.db2.gz SPFZTSUPMXGUKO-WBVHZDCISA-N 0 3 376.497 3.601 20 10 GHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c([O-])c1 ZINC000690671660 930608524 /nfs/dbraw/zinc/60/85/24/930608524.db2.gz OOKDQAVAAWBBEY-JKSUJKDBSA-N 0 3 376.497 3.520 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000782290984 931160340 /nfs/dbraw/zinc/16/03/40/931160340.db2.gz RTPJZQMMDKSACP-QGZVFWFLSA-N 0 3 376.456 3.792 20 10 GHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1[O-] ZINC000782290984 931160345 /nfs/dbraw/zinc/16/03/45/931160345.db2.gz RTPJZQMMDKSACP-QGZVFWFLSA-N 0 3 376.456 3.792 20 10 GHCDHN CN(C)c1ccc([C@@H](CN[C@@H]2CCCc3n[nH]cc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897378 932102460 /nfs/dbraw/zinc/10/24/60/932102460.db2.gz LRHCJSFYSRPDPW-UYAOXDASSA-N 0 3 399.539 3.709 20 10 GHCDHN COc1ccccc1-n1nccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000797465229 932292758 /nfs/dbraw/zinc/29/27/58/932292758.db2.gz NFRPFMMTGKCINA-UHFFFAOYSA-N 0 3 394.544 3.724 20 10 GHCDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116442806 933560907 /nfs/dbraw/zinc/56/09/07/933560907.db2.gz QJXSAUWWLCTIQM-OAQYLSRUSA-N 0 3 383.511 3.923 20 10 GHCDHN COC1CCN(c2ccc(CN3CC[C@H](OCc4c(C)noc4C)C3)cc2)CC1 ZINC000828884501 935734611 /nfs/dbraw/zinc/73/46/11/935734611.db2.gz DICSPOJLNLIAID-QFIPXVFZSA-N 0 3 399.535 3.698 20 10 GHCDHN CC[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 ZINC001221623443 1032486397 /nfs/dbraw/zinc/48/63/97/1032486397.db2.gz MYDMHPAJGXKPPJ-PGRDOPGGSA-N 0 3 382.552 3.848 20 10 GHCDHN Oc1ccc(CN2CCN(c3cccc(OCc4ccccc4)c3)CC2)c(O)c1 ZINC001204282312 1032724679 /nfs/dbraw/zinc/72/46/79/1032724679.db2.gz PVNPRTLGOXZPNN-UHFFFAOYSA-N 0 3 390.483 3.999 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1[O-] ZINC001204343094 1032783238 /nfs/dbraw/zinc/78/32/38/1032783238.db2.gz XWDNDXDYNFTJAF-UHFFFAOYSA-N 0 3 394.309 3.936 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c1[O-] ZINC001204343094 1032783253 /nfs/dbraw/zinc/78/32/53/1032783253.db2.gz XWDNDXDYNFTJAF-UHFFFAOYSA-N 0 3 394.309 3.936 20 10 GHCDHN COc1cc(Br)cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC001204340688 1032782553 /nfs/dbraw/zinc/78/25/53/1032782553.db2.gz YVOFEENEGOXJGD-HNNXBMFYSA-N 0 3 378.266 3.599 20 10 GHCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1[O-] ZINC001204340688 1032782570 /nfs/dbraw/zinc/78/25/70/1032782570.db2.gz YVOFEENEGOXJGD-HNNXBMFYSA-N 0 3 378.266 3.599 20 10 GHCDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834555042 1021269579 /nfs/dbraw/zinc/26/95/79/1021269579.db2.gz KQXXJVSRGSMRKW-OXQOHEQNSA-N 0 3 379.504 3.987 20 10 GHCDHN CCN1CCN(c2ccc(CN3Cc4cnn(-c5ccccc5)c4C3)cc2)CC1 ZINC001140305514 1021360089 /nfs/dbraw/zinc/36/00/89/1021360089.db2.gz AHTXPBUPCMITAU-UHFFFAOYSA-N 0 3 387.531 3.530 20 10 GHCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000754832643 1022920627 /nfs/dbraw/zinc/92/06/27/1022920627.db2.gz INBRICCJVQHPAQ-XLIONFOSSA-N 0 3 392.858 3.645 20 10 GHCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)c([O-])c1 ZINC001140950479 1022973408 /nfs/dbraw/zinc/97/34/08/1022973408.db2.gz VJLDNAQXEIOVQD-XUZZJYLKSA-N 0 3 394.515 3.644 20 10 GHCDHN Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)c([O-])c1 ZINC001140950479 1022973410 /nfs/dbraw/zinc/97/34/10/1022973410.db2.gz VJLDNAQXEIOVQD-XUZZJYLKSA-N 0 3 394.515 3.644 20 10 GHCDHN COCC[N@H+](Cc1ccc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140950668 1022975704 /nfs/dbraw/zinc/97/57/04/1022975704.db2.gz BKCUYNPBKUOQKZ-UHFFFAOYSA-N 0 3 378.513 3.549 20 10 GHCDHN COCC[N@@H+](Cc1ccc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140950668 1022975706 /nfs/dbraw/zinc/97/57/06/1022975706.db2.gz BKCUYNPBKUOQKZ-UHFFFAOYSA-N 0 3 378.513 3.549 20 10 GHCDHN Cc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001140954005 1022988082 /nfs/dbraw/zinc/98/80/82/1022988082.db2.gz IONFZBJEFISDCK-HUUCEWRRSA-N 0 3 388.430 3.978 20 10 GHCDHN Cc1ccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c(O)c1 ZINC001140957815 1022998573 /nfs/dbraw/zinc/99/85/73/1022998573.db2.gz OFOZWHSYFCRUSH-UHFFFAOYSA-N 0 3 380.410 3.917 20 10 GHCDHN COc1cc(O)c(CN2CCC(Oc3cccc(Cl)n3)CC2)c(OC)c1 ZINC001141030657 1023295771 /nfs/dbraw/zinc/29/57/71/1023295771.db2.gz FNXAVTLTOJFUQK-UHFFFAOYSA-N 0 3 378.856 3.501 20 10 GHCDHN Cc1cncnc1O[C@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078708 1023445027 /nfs/dbraw/zinc/44/50/27/1023445027.db2.gz FUIVLPWDASHUHY-NRFANRHFSA-N 0 3 378.520 3.527 20 10 GHCDHN C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000756378870 1023619421 /nfs/dbraw/zinc/61/94/21/1023619421.db2.gz JFJGPLMGXJBIEF-IFXJQAMLSA-N 0 3 378.875 3.909 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2c1c(F)ccc2[O-] ZINC000756443730 1023653480 /nfs/dbraw/zinc/65/34/80/1023653480.db2.gz UNJCDSVVSCPEDH-SIXWZSSISA-N 0 3 397.494 3.571 20 10 GHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000756448184 1023655432 /nfs/dbraw/zinc/65/54/32/1023655432.db2.gz AEXVKGSFCFSTGT-IIYDPXPESA-N 0 3 392.496 3.681 20 10 GHCDHN COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)ccc1OCCO ZINC000756455224 1023659535 /nfs/dbraw/zinc/65/95/35/1023659535.db2.gz BPKQSBJXSRXYFI-HEHGZKQESA-N 0 3 375.440 3.810 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2c1c(F)ccc2[O-] ZINC000756459629 1023662741 /nfs/dbraw/zinc/66/27/41/1023662741.db2.gz NMUFUHTYWIGXMK-XVSDVWIESA-N 0 3 384.451 3.987 20 10 GHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756531976 1023700878 /nfs/dbraw/zinc/70/08/78/1023700878.db2.gz BWZQYIZBHUHSCD-AHRSYUTCSA-N 0 3 383.511 3.658 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c2c1c(F)ccc2[O-] ZINC000756531977 1023701205 /nfs/dbraw/zinc/70/12/05/1023701205.db2.gz BWZQYIZBHUHSCD-LSTHTHJFSA-N 0 3 383.511 3.658 20 10 GHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c2c1c(F)ccc2[O-] ZINC000756591948 1023726094 /nfs/dbraw/zinc/72/60/94/1023726094.db2.gz HJIKUZYIEHPSSZ-OOVXXXAESA-N 0 3 393.842 3.827 20 10 GHCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CN(C(C)(C)C)CCN3)n2)cc1 ZINC001205016803 1033211950 /nfs/dbraw/zinc/21/19/50/1033211950.db2.gz HAIYHBZVNLWSIL-IBGZPJMESA-N 0 3 379.508 3.889 20 10 GHCDHN Cc1c(CN2CCC3(CC2)CN(c2ccccn2)CCO3)c2ccccc2n1C ZINC001138255836 1024479945 /nfs/dbraw/zinc/47/99/45/1024479945.db2.gz VDWBWBWZEPYHJM-UHFFFAOYSA-N 0 3 390.531 3.753 20 10 GHCDHN CN1CCCc2cc(CN3CCC(NC(=O)c4ccccc4F)CC3)ccc21 ZINC001138359578 1024723064 /nfs/dbraw/zinc/72/30/64/1024723064.db2.gz UUSDICOBRFDYTI-UHFFFAOYSA-N 0 3 381.495 3.603 20 10 GHCDHN CC1(CNCc2ccc(N3CCCCC3)c(Br)c2)OCCCO1 ZINC000839052884 1025544191 /nfs/dbraw/zinc/54/41/91/1025544191.db2.gz JJURLAUEXCAQEA-UHFFFAOYSA-N 0 3 383.330 3.682 20 10 GHCDHN COC[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CCCO1 ZINC000839063594 1025552870 /nfs/dbraw/zinc/55/28/70/1025552870.db2.gz QBKUTJQLAJMAAT-HKUYNNGSSA-N 0 3 397.357 3.723 20 10 GHCDHN Fc1cc(CNCc2c[nH]nc2-c2cccs2)cc(F)c1N1CCOCC1 ZINC000839146543 1025642276 /nfs/dbraw/zinc/64/22/76/1025642276.db2.gz LKGLSDGMTCXNDS-UHFFFAOYSA-N 0 3 390.459 3.543 20 10 GHCDHN COCCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140055346 1026836072 /nfs/dbraw/zinc/83/60/72/1026836072.db2.gz SJFJJFATPOKBFN-GOSISDBHSA-N 0 3 396.503 3.769 20 10 GHCDHN COCCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140055346 1026836081 /nfs/dbraw/zinc/83/60/81/1026836081.db2.gz SJFJJFATPOKBFN-GOSISDBHSA-N 0 3 396.503 3.769 20 10 GHCDHN COc1ccc(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c(O)c1 ZINC001203635051 1027491530 /nfs/dbraw/zinc/49/15/30/1027491530.db2.gz HTXVETXOOLBSNK-UHFFFAOYSA-N 0 3 382.382 3.622 20 10 GHCDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCCC2 ZINC000841744995 1028908182 /nfs/dbraw/zinc/90/81/82/1028908182.db2.gz MBYUQIHEIKWMBM-JOCHJYFZSA-N 0 3 381.476 3.989 20 10 GHCDHN CC(C)(C)c1cccc(CN2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c1O ZINC001143105083 1029842567 /nfs/dbraw/zinc/84/25/67/1029842567.db2.gz IRQAELKOLHRNIL-CEWLAPEOSA-N 0 3 382.504 3.501 20 10 GHCDHN Cc1cc([C@H](N)CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(Cl)n1 ZINC000843485103 1030038233 /nfs/dbraw/zinc/03/82/33/1030038233.db2.gz IAIGLAYZSIUTTQ-LJQANCHMSA-N 0 3 388.943 3.937 20 10 GHCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001220676797 1032057211 /nfs/dbraw/zinc/05/72/11/1032057211.db2.gz FBEXOFCQALEDKX-AVRDEDQJSA-N 0 3 382.552 3.594 20 10 GHCDHN CN(CCNC(=O)OC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1O ZINC001206159407 1033748053 /nfs/dbraw/zinc/74/80/53/1033748053.db2.gz LYDSBNMHFIGKBG-UHFFFAOYSA-N 0 3 386.492 3.928 20 10 GHCDHN C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001206159407 1033748069 /nfs/dbraw/zinc/74/80/69/1033748069.db2.gz LYDSBNMHFIGKBG-UHFFFAOYSA-N 0 3 386.492 3.928 20 10 GHCDHN C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001206159407 1033748084 /nfs/dbraw/zinc/74/80/84/1033748084.db2.gz LYDSBNMHFIGKBG-UHFFFAOYSA-N 0 3 386.492 3.928 20 10 GHCDHN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cccnc4C)C3)C2)cc1 ZINC001207148460 1034128238 /nfs/dbraw/zinc/12/82/38/1034128238.db2.gz CTOXJLLTDZWSKK-HSZRJFAPSA-N 0 3 381.520 3.518 20 10 GHCDHN COc1ccc(N2CCN(CC[C@@H](C)CCCC(C)(C)O)CC2)c(OC)c1 ZINC001207682262 1034524783 /nfs/dbraw/zinc/52/47/83/1034524783.db2.gz AEUUCFYLLHTJHV-SFHVURJKSA-N 0 3 378.557 3.793 20 10 GHCDHN Cc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC001231468890 1034614106 /nfs/dbraw/zinc/61/41/06/1034614106.db2.gz HRFWDYVNPCFLQD-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN Cc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC001231468890 1034614114 /nfs/dbraw/zinc/61/41/14/1034614114.db2.gz HRFWDYVNPCFLQD-NRFANRHFSA-N 0 3 391.471 3.723 20 10 GHCDHN COc1cccc(CCN(C)Cc2c(Br)ccc(OC)c2O)c1 ZINC001231554138 1034705442 /nfs/dbraw/zinc/70/54/42/1034705442.db2.gz JWAHCECASOTHKO-UHFFFAOYSA-N 0 3 380.282 3.846 20 10 GHCDHN c1cnn(CCCN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001208086356 1034728853 /nfs/dbraw/zinc/72/88/53/1034728853.db2.gz LDYMYKMAVDOBLL-UHFFFAOYSA-N 0 3 376.504 3.674 20 10 GHCDHN CC[C@H]1[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@]12CCC(=O)N2CCOC ZINC001231587206 1034740270 /nfs/dbraw/zinc/74/02/70/1034740270.db2.gz LORLTENTGNJGMY-VWNXMTODSA-N 0 3 396.531 3.927 20 10 GHCDHN CC[C@H]1[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@]12CCC(=O)N2CCOC ZINC001231587206 1034740283 /nfs/dbraw/zinc/74/02/83/1034740283.db2.gz LORLTENTGNJGMY-VWNXMTODSA-N 0 3 396.531 3.927 20 10 GHCDHN COC(=O)c1ccccc1N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590712 1034743532 /nfs/dbraw/zinc/74/35/32/1034743532.db2.gz MCRWPYFGBGCNAH-UHFFFAOYSA-N 0 3 376.456 3.654 20 10 GHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001231590434 1034743765 /nfs/dbraw/zinc/74/37/65/1034743765.db2.gz ZYYORLBIWCVOGZ-UHFFFAOYSA-N 0 3 388.393 3.676 20 10 GHCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001231852250 1034942775 /nfs/dbraw/zinc/94/27/75/1034942775.db2.gz SLDCSZNWJDZQAJ-QFBILLFUSA-N 0 3 389.540 3.593 20 10 GHCDHN CCOC(=O)C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1C ZINC001232204351 1035159838 /nfs/dbraw/zinc/15/98/38/1035159838.db2.gz LKMZTINIEYKTOT-SJLPKXTDSA-N 0 3 394.943 3.588 20 10 GHCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)c([O-])c1 ZINC001462146218 1070032797 /nfs/dbraw/zinc/03/27/97/1070032797.db2.gz JRPFQNPIMNVYCV-UHFFFAOYSA-N 0 3 388.265 3.843 20 10 GHCDHN C[N@H+](Cc1cccc(F)c1)C1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263549 1037984775 /nfs/dbraw/zinc/98/47/75/1037984775.db2.gz RKBZJPMUNPBQLS-UHFFFAOYSA-N 0 3 378.875 3.987 20 10 GHCDHN C[N@@H+](Cc1cccc(F)c1)C1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232263549 1037984778 /nfs/dbraw/zinc/98/47/78/1037984778.db2.gz RKBZJPMUNPBQLS-UHFFFAOYSA-N 0 3 378.875 3.987 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233287818 1039067199 /nfs/dbraw/zinc/06/71/99/1039067199.db2.gz IKNBZVMLGVHPGS-HNNXBMFYSA-N 0 3 384.904 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233287818 1039067215 /nfs/dbraw/zinc/06/72/15/1039067215.db2.gz IKNBZVMLGVHPGS-HNNXBMFYSA-N 0 3 384.904 3.886 20 10 GHCDHN COc1cc(Cl)cc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1[O-] ZINC001233289101 1039071644 /nfs/dbraw/zinc/07/16/44/1039071644.db2.gz JTUWWUBMIFWRFC-UHFFFAOYSA-N 0 3 385.851 3.705 20 10 GHCDHN COc1cc(Cl)cc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1[O-] ZINC001233289101 1039071653 /nfs/dbraw/zinc/07/16/53/1039071653.db2.gz JTUWWUBMIFWRFC-UHFFFAOYSA-N 0 3 385.851 3.705 20 10 GHCDHN COc1cc(Cl)cc(CN2CCCN(C(=O)OC(C)(C)C)CCC2)c1O ZINC001233290789 1039077635 /nfs/dbraw/zinc/07/76/35/1039077635.db2.gz WFQKJUQUHSMTMK-UHFFFAOYSA-N 0 3 384.904 3.887 20 10 GHCDHN Oc1cc(O)c(CN2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cc1O ZINC001233484588 1039381851 /nfs/dbraw/zinc/38/18/51/1039381851.db2.gz PZIHHEWZVYRUKX-FQEVSTJZSA-N 0 3 390.430 3.541 20 10 GHCDHN O=C(NC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1)C1CCCC1 ZINC001233754736 1039592746 /nfs/dbraw/zinc/59/27/46/1039592746.db2.gz JKQJILWPUSAXKX-UHFFFAOYSA-N 0 3 386.414 3.562 20 10 GHCDHN CC(C)(C)OC(=O)NCCC1CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761281 1039595927 /nfs/dbraw/zinc/59/59/27/1039595927.db2.gz QZKGIDJMOLTYJL-UHFFFAOYSA-N 0 3 390.402 3.637 20 10 GHCDHN CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001254023522 1039960079 /nfs/dbraw/zinc/96/00/79/1039960079.db2.gz OMZRFNBCRNMXFQ-FQEVSTJZSA-N 0 3 381.472 3.862 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](Oc4cccc(OC)n4)C3)c2c1 ZINC001234569468 1040136955 /nfs/dbraw/zinc/13/69/55/1040136955.db2.gz OFHRAHJHVPQJHX-KRWDZBQOSA-N 0 3 380.444 3.611 20 10 GHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](Oc4cccc(OC)n4)C3)c2c1 ZINC001234569468 1040136961 /nfs/dbraw/zinc/13/69/61/1040136961.db2.gz OFHRAHJHVPQJHX-KRWDZBQOSA-N 0 3 380.444 3.611 20 10 GHCDHN CCN1CCN(c2ccc(O[C@H]3C[C@@H](C(=O)OCc4ccccc4)C3)cc2)CC1 ZINC001234660772 1040196160 /nfs/dbraw/zinc/19/61/60/1040196160.db2.gz LOIGTJKUFBMIJM-UHGJSFDGSA-N 0 3 394.515 3.729 20 10 GHCDHN NC(=O)CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCCCC1 ZINC001462464733 1070272653 /nfs/dbraw/zinc/27/26/53/1070272653.db2.gz MFVGJMMIMLWEFK-UHFFFAOYSA-N 0 3 382.504 3.887 20 10 GHCDHN [O-]c1c(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001234993014 1040487442 /nfs/dbraw/zinc/48/74/42/1040487442.db2.gz UXUVZVXUOSUMRH-QHCPKHFHSA-N 0 3 388.511 3.738 20 10 GHCDHN [O-]c1c(C[N@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)cccc1-c1ccccc1 ZINC001234993014 1040487470 /nfs/dbraw/zinc/48/74/70/1040487470.db2.gz UXUVZVXUOSUMRH-QHCPKHFHSA-N 0 3 388.511 3.738 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c([O-])c1 ZINC001235681207 1041148353 /nfs/dbraw/zinc/14/83/53/1041148353.db2.gz GPUIXLFZCXNJTR-HYBUGGRVSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c([O-])c1 ZINC001235681207 1041148368 /nfs/dbraw/zinc/14/83/68/1041148368.db2.gz GPUIXLFZCXNJTR-HYBUGGRVSA-N 0 3 378.516 3.795 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001235681114 1041149080 /nfs/dbraw/zinc/14/90/80/1041149080.db2.gz FHUMCMXVGZKCGG-WIYYLYMNSA-N 0 3 396.506 3.919 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c([O-])c1 ZINC001235681114 1041149102 /nfs/dbraw/zinc/14/91/02/1041149102.db2.gz FHUMCMXVGZKCGG-WIYYLYMNSA-N 0 3 396.506 3.919 20 10 GHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)c4cscn4)C3)C2)c([O-])c1 ZINC001235686229 1041154148 /nfs/dbraw/zinc/15/41/48/1041154148.db2.gz YTILHOBUJNQDNP-IYBDPMFKSA-N 0 3 399.560 3.740 20 10 GHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C(=O)c4cscn4)C3)C2)c([O-])c1 ZINC001235686229 1041154165 /nfs/dbraw/zinc/15/41/65/1041154165.db2.gz YTILHOBUJNQDNP-IYBDPMFKSA-N 0 3 399.560 3.740 20 10 GHCDHN COC(=O)[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)[C@@H](c2ccccc2)C1 ZINC001236754660 1041874154 /nfs/dbraw/zinc/87/41/54/1041874154.db2.gz UFLZPTHMLVUDHM-FUHWJXTLSA-N 0 3 385.460 3.536 20 10 GHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817046 1041915009 /nfs/dbraw/zinc/91/50/09/1041915009.db2.gz CBUWGFDGPTWGDA-INIZCTEOSA-N 0 3 378.513 3.788 20 10 GHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001236817046 1041915010 /nfs/dbraw/zinc/91/50/10/1041915010.db2.gz CBUWGFDGPTWGDA-INIZCTEOSA-N 0 3 378.513 3.788 20 10 GHCDHN COc1cc(C)c(CN2CCN(c3cc(C)nn3-c3ccccc3)CC2)c(O)c1 ZINC001236817230 1041915065 /nfs/dbraw/zinc/91/50/65/1041915065.db2.gz DEVFXBMLWYWJQR-UHFFFAOYSA-N 0 3 392.503 3.526 20 10 GHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001236831714 1041921620 /nfs/dbraw/zinc/92/16/20/1041921620.db2.gz YXIWXIHFSDMDOV-FQEVSTJZSA-N 0 3 375.472 3.874 20 10 GHCDHN O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3cc4ccccc4cc3[O-])C[C@@H]2C1 ZINC001236832851 1041922066 /nfs/dbraw/zinc/92/20/66/1041922066.db2.gz RMPQNFRZQUZJPG-WOJBJXKFSA-N 0 3 378.497 3.811 20 10 GHCDHN O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236832793 1041922223 /nfs/dbraw/zinc/92/22/23/1041922223.db2.gz QJOOKJIPCXMOQL-NRFANRHFSA-N 0 3 387.483 3.579 20 10 GHCDHN CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236838785 1041924492 /nfs/dbraw/zinc/92/44/92/1041924492.db2.gz CGCSYXGTIGXVAU-NRFANRHFSA-N 0 3 396.531 3.642 20 10 GHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001237040135 1042000863 /nfs/dbraw/zinc/00/08/63/1042000863.db2.gz DWDCNDCXDFIFOP-QHCPKHFHSA-N 0 3 380.488 3.728 20 10 GHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c([O-])c1 ZINC001237040135 1042000871 /nfs/dbraw/zinc/00/08/71/1042000871.db2.gz DWDCNDCXDFIFOP-QHCPKHFHSA-N 0 3 380.488 3.728 20 10 GHCDHN CC[C@@H]1[N@H+](Cc2ccc(C(C)C)cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237052360 1042010679 /nfs/dbraw/zinc/01/06/79/1042010679.db2.gz VENUQRVHPSTBNZ-GMAHTHKFSA-N 0 3 388.552 3.898 20 10 GHCDHN CC[C@@H]1[N@@H+](Cc2ccc(C(C)C)cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237052360 1042010687 /nfs/dbraw/zinc/01/06/87/1042010687.db2.gz VENUQRVHPSTBNZ-GMAHTHKFSA-N 0 3 388.552 3.898 20 10 GHCDHN CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237053848 1042011512 /nfs/dbraw/zinc/01/15/12/1042011512.db2.gz RGKYMCMETIDBFV-SFHVURJKSA-N 0 3 389.414 3.889 20 10 GHCDHN CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237053848 1042011519 /nfs/dbraw/zinc/01/15/19/1042011519.db2.gz RGKYMCMETIDBFV-SFHVURJKSA-N 0 3 389.414 3.889 20 10 GHCDHN Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)nc1 ZINC001237058675 1042014271 /nfs/dbraw/zinc/01/42/71/1042014271.db2.gz DDGFSSPTALVBGV-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)nc1 ZINC001237058675 1042014277 /nfs/dbraw/zinc/01/42/77/1042014277.db2.gz DDGFSSPTALVBGV-INIZCTEOSA-N 0 3 382.382 3.690 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001237080065 1042025930 /nfs/dbraw/zinc/02/59/30/1042025930.db2.gz RJBBFHXPRZSYJD-HUUCEWRRSA-N 0 3 378.303 3.658 20 10 GHCDHN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001237080065 1042025936 /nfs/dbraw/zinc/02/59/36/1042025936.db2.gz RJBBFHXPRZSYJD-HUUCEWRRSA-N 0 3 378.303 3.658 20 10 GHCDHN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137581 1042059875 /nfs/dbraw/zinc/05/98/75/1042059875.db2.gz RSYWTAVOBNPDEN-YLJYHZDGSA-N 0 3 390.405 3.517 20 10 GHCDHN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C2 ZINC001237137581 1042059880 /nfs/dbraw/zinc/05/98/80/1042059880.db2.gz RSYWTAVOBNPDEN-YLJYHZDGSA-N 0 3 390.405 3.517 20 10 GHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001237487550 1042230470 /nfs/dbraw/zinc/23/04/70/1042230470.db2.gz APNVDZFRZNPXCR-QHCPKHFHSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001237487550 1042230476 /nfs/dbraw/zinc/23/04/76/1042230476.db2.gz APNVDZFRZNPXCR-QHCPKHFHSA-N 0 3 384.495 3.959 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487776 1042231711 /nfs/dbraw/zinc/23/17/11/1042231711.db2.gz CYOVIQUZIAESFP-ZEQRLZLVSA-N 0 3 396.531 3.992 20 10 GHCDHN Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237487776 1042231713 /nfs/dbraw/zinc/23/17/13/1042231713.db2.gz CYOVIQUZIAESFP-ZEQRLZLVSA-N 0 3 396.531 3.992 20 10 GHCDHN CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237642699 1042301002 /nfs/dbraw/zinc/30/10/02/1042301002.db2.gz FLWIMNXOHHPBBO-LJQANCHMSA-N 0 3 385.435 3.543 20 10 GHCDHN CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237642699 1042301006 /nfs/dbraw/zinc/30/10/06/1042301006.db2.gz FLWIMNXOHHPBBO-LJQANCHMSA-N 0 3 385.435 3.543 20 10 GHCDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)cc1Br ZINC001237677921 1042319379 /nfs/dbraw/zinc/31/93/79/1042319379.db2.gz DYUSLGDZPTYERO-LJQANCHMSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)cc1Br ZINC001237677921 1042319383 /nfs/dbraw/zinc/31/93/83/1042319383.db2.gz DYUSLGDZPTYERO-LJQANCHMSA-N 0 3 395.341 3.686 20 10 GHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1[O-] ZINC001237682622 1042324225 /nfs/dbraw/zinc/32/42/25/1042324225.db2.gz CDAOZXBSCODVMQ-PZJWPPBQSA-N 0 3 388.895 3.952 20 10 GHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1[O-] ZINC001237682622 1042324232 /nfs/dbraw/zinc/32/42/32/1042324232.db2.gz CDAOZXBSCODVMQ-PZJWPPBQSA-N 0 3 388.895 3.952 20 10 GHCDHN COc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)cc1 ZINC001237687397 1042326740 /nfs/dbraw/zinc/32/67/40/1042326740.db2.gz JRYABVDOJLNZEJ-UHFFFAOYSA-N 0 3 388.895 3.757 20 10 GHCDHN COc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(C)c3O)CC2)cc1 ZINC001237687397 1042326745 /nfs/dbraw/zinc/32/67/45/1042326745.db2.gz JRYABVDOJLNZEJ-UHFFFAOYSA-N 0 3 388.895 3.757 20 10 GHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1[O-] ZINC001238062041 1042479539 /nfs/dbraw/zinc/47/95/39/1042479539.db2.gz SQBDLRHWDRWSHP-NRFANRHFSA-N 0 3 390.405 3.747 20 10 GHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1[O-] ZINC001238062041 1042479543 /nfs/dbraw/zinc/47/95/43/1042479543.db2.gz SQBDLRHWDRWSHP-NRFANRHFSA-N 0 3 390.405 3.747 20 10 GHCDHN COc1ccc(N2CCC(NC(=O)c3ccc(NC4=NCCC4)cc3)CC2)cc1 ZINC001292594447 1043798047 /nfs/dbraw/zinc/79/80/47/1043798047.db2.gz SVKDWBJSVUNQKB-UHFFFAOYSA-N 0 3 392.503 3.698 20 10 GHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-c4c[nH]cn4)cc3)c2)CC1 ZINC001296014135 1045222025 /nfs/dbraw/zinc/22/20/25/1045222025.db2.gz QZVVNXOMJMDCDQ-UHFFFAOYSA-N 0 3 389.503 3.859 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)CCCCc2cccc(O)c2)N(C)C)cc1 ZINC001304769678 1047764317 /nfs/dbraw/zinc/76/43/17/1047764317.db2.gz XAJJAQQWLNKADW-QFIPXVFZSA-N 0 3 383.536 3.590 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)c2scnc2C2CCCC2)N(C)C)cc1 ZINC001463279418 1070958991 /nfs/dbraw/zinc/95/89/91/1070958991.db2.gz IDRMJCWZECTWLX-SFHVURJKSA-N 0 3 386.565 3.899 20 10 GHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307500830 1049340853 /nfs/dbraw/zinc/34/08/53/1049340853.db2.gz GYQJOGXDDXDTCC-ZDUSSCGKSA-N 0 3 392.402 3.953 20 10 GHCDHN COc1cc(C2(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)ccc1C ZINC001289599759 1049556213 /nfs/dbraw/zinc/55/62/13/1049556213.db2.gz ITBBCADTNQTOIV-OAQYLSRUSA-N 0 3 395.547 3.520 20 10 GHCDHN COc1cccc2c1CC[C@]2(CO)NCc1ccc(N2CCCCC2)c(C)c1 ZINC001308032505 1049784049 /nfs/dbraw/zinc/78/40/49/1049784049.db2.gz FPAQJZXWLKNYJQ-XMMPIXPASA-N 0 3 380.532 3.918 20 10 GHCDHN COC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC001339330927 1050016809 /nfs/dbraw/zinc/01/68/09/1050016809.db2.gz ROVISFISIHUDHY-FQEVSTJZSA-N 0 3 391.918 3.708 20 10 GHCDHN CN(C)[C@H](CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(F)(F)F ZINC001308934219 1050193212 /nfs/dbraw/zinc/19/32/12/1050193212.db2.gz INJGKBGQMHWLSL-LJQANCHMSA-N 0 3 382.426 3.943 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(C(F)(F)F)n2)N(C)C)cc1 ZINC001310538745 1051428103 /nfs/dbraw/zinc/42/81/03/1051428103.db2.gz ABRUKRRTSUWSPU-HNNXBMFYSA-N 0 3 395.429 3.591 20 10 GHCDHN Cc1cc(C)c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC001311737668 1052365224 /nfs/dbraw/zinc/36/52/24/1052365224.db2.gz VRCXHYFWEMAXNP-JOCHJYFZSA-N 0 3 382.552 3.780 20 10 GHCDHN COc1ccc(N2CCC(N[C@@H](c3cnn(C)c3)c3ccccc3)CC2)cc1 ZINC001320092867 1055651051 /nfs/dbraw/zinc/65/10/51/1055651051.db2.gz WTTHIXFELDUQFV-HSZRJFAPSA-N 0 3 376.504 3.777 20 10 GHCDHN COCc1ccc([C@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC001321229673 1056174088 /nfs/dbraw/zinc/17/40/88/1056174088.db2.gz RPMFUJBOEPEKIE-OAQYLSRUSA-N 0 3 387.499 3.654 20 10 GHCDHN COc1cc(C)c(C[NH2+]C2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001474758158 1056275402 /nfs/dbraw/zinc/27/54/02/1056275402.db2.gz YAFUCZQYVGGQFM-UHFFFAOYSA-N 0 3 376.497 3.635 20 10 GHCDHN CN1CCN(c2ccc(CN[C@H]3CCCOc4ccc(F)cc43)cc2F)CC1 ZINC001323470622 1056974561 /nfs/dbraw/zinc/97/45/61/1056974561.db2.gz GARULKDZTVTAHO-FQEVSTJZSA-N 0 3 387.474 3.720 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1[O-] ZINC000848517532 1057144804 /nfs/dbraw/zinc/14/48/04/1057144804.db2.gz FFUNCOFPYQQFJW-LLVKDONJSA-N 0 3 393.281 3.973 20 10 GHCDHN COc1cc(Br)cc([C@H](C)NCC(=O)N(C)C2CCCCC2)c1O ZINC000848531681 1057153526 /nfs/dbraw/zinc/15/35/26/1057153526.db2.gz RLDYUYOSKXQKNQ-LBPRGKRZSA-N 0 3 399.329 3.605 20 10 GHCDHN COc1cc(Br)cc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1O ZINC000848536821 1057158454 /nfs/dbraw/zinc/15/84/54/1057158454.db2.gz VQTAOTZAKLSUJN-VHSXEESVSA-N 0 3 383.290 3.817 20 10 GHCDHN COc1cc(Br)cc([C@@H](C)NCc2cnc3n2CCCC3)c1O ZINC000848549338 1057170532 /nfs/dbraw/zinc/17/05/32/1057170532.db2.gz SUSLLENPHSMYAJ-LLVKDONJSA-N 0 3 380.286 3.547 20 10 GHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848569175 1057184621 /nfs/dbraw/zinc/18/46/21/1057184621.db2.gz WINMKMQVGPTKHE-RCBQFDQVSA-N 0 3 383.330 3.831 20 10 GHCDHN COc1cc(N2CCN(Cc3cccc4ccoc43)CC2)cc(OC)c1OC ZINC001324659651 1057194774 /nfs/dbraw/zinc/19/47/74/1057194774.db2.gz GRBWBVXJSPQAGC-UHFFFAOYSA-N 0 3 382.460 3.781 20 10 GHCDHN COC(=O)c1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)o1 ZINC000848898495 1057405723 /nfs/dbraw/zinc/40/57/23/1057405723.db2.gz VNTDRBOUMZTCKJ-HNNXBMFYSA-N 0 3 394.418 3.735 20 10 GHCDHN C[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2C1 ZINC001439959077 1058365875 /nfs/dbraw/zinc/36/58/75/1058365875.db2.gz BWNGVAFNJVNVMS-DNVCBOLYSA-N 0 3 385.577 3.972 20 10 GHCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCc3ccccc32)N(C)C)cc1 ZINC001439960925 1058368225 /nfs/dbraw/zinc/36/82/25/1058368225.db2.gz OQAJQQCKPFAINK-OFNKIYASSA-N 0 3 379.548 3.982 20 10 GHCDHN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCC(F)(F)F ZINC001347781091 1062659603 /nfs/dbraw/zinc/65/96/03/1062659603.db2.gz AQTOODIVIRLMAG-CYBMUJFWSA-N 0 3 385.455 3.541 20 10 GHCDHN CCN1CCN(c2ccc(CNCc3cnc(Cl)c(C)c3)cc2F)CC1 ZINC001200151885 1065385346 /nfs/dbraw/zinc/38/53/46/1065385346.db2.gz MHTXJOLJGRZRAY-UHFFFAOYSA-N 0 3 376.907 3.614 20 10 GHCDHN Cc1ccc([C@H](CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)N(C)C)cc1 ZINC001477650590 1078507928 /nfs/dbraw/zinc/50/79/28/1078507928.db2.gz NDLFRVKKLNQRRO-XXBNENTESA-N 0 3 396.579 3.903 20 10 GHCDHN CCc1ccc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001471543301 1073123293 /nfs/dbraw/zinc/12/32/93/1073123293.db2.gz GQCABJINAMTWGI-JOCHJYFZSA-N 0 3 382.552 3.759 20 10 GHCDHN CO[C@](C)(CNCc1cc(F)c(N(C)C)cc1F)COCc1ccccc1 ZINC001474205318 1074292670 /nfs/dbraw/zinc/29/26/70/1074292670.db2.gz RNKLGCWWAABZQF-OAQYLSRUSA-N 0 3 378.463 3.742 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC001474403460 1074388765 /nfs/dbraw/zinc/38/87/65/1074388765.db2.gz KDFPIGNUMGPGKB-UHOSZYNNSA-N 0 3 390.524 3.677 20 10 GHCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC001474403460 1074388772 /nfs/dbraw/zinc/38/87/72/1074388772.db2.gz KDFPIGNUMGPGKB-UHOSZYNNSA-N 0 3 390.524 3.677 20 10 GHCDHN O=C(NCC1CC1)C1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCCC1 ZINC001474424919 1074401237 /nfs/dbraw/zinc/40/12/37/1074401237.db2.gz TZRCWAAYODRDQV-UHFFFAOYSA-N 0 3 394.515 3.900 20 10 GHCDHN CCOCc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OC ZINC001655608384 1126255302 /nfs/dbraw/zinc/25/53/02/1126255302.db2.gz CZLOJXHMPUVZOZ-UYAOXDASSA-N 0 3 397.437 3.856 20 10 GHCDHN CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000825417000 609143281 /nfs/dbraw/zinc/14/32/81/609143281.db2.gz NSXRJWSGLUQDRI-CYBMUJFWSA-N 0 3 386.450 3.842 20 10 GHCDHN