smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C[NH2+]Cc2ccc(OC)cc2O)ccc1O[C@H](C)C(=O)N(C)C ZINC000793389062 1078163262 /nfs/dbraw/zinc/16/32/62/1078163262.db2.gz UURQFLGIBYJUPB-OAHLLOKOSA-N 1 0 402.491 2.945 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000793899987 1078332647 /nfs/dbraw/zinc/33/26/47/1078332647.db2.gz DZDZEXWBNMQBSK-MOPGFXCFSA-N 1 0 402.583 2.728 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000804695909 1078537683 /nfs/dbraw/zinc/53/76/83/1078537683.db2.gz XDNZWGPBFITXSA-GOSISDBHSA-N 1 0 410.562 2.923 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1F ZINC000804852290 1078722454 /nfs/dbraw/zinc/72/24/54/1078722454.db2.gz GECGZZBFOOIYCN-WMZOPIPTSA-N 1 0 406.546 2.619 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)(C)C[NH+](C)C ZINC000805026340 1078839010 /nfs/dbraw/zinc/83/90/10/1078839010.db2.gz KGRDWUOBFBRAHV-GOSISDBHSA-N 1 0 402.583 2.632 20 10 HFCDRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000805023071 1078835309 /nfs/dbraw/zinc/83/53/09/1078835309.db2.gz NNOWPWJBZWPMCN-UHFFFAOYSA-N 1 0 414.594 2.777 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3C[C@H](C)C[C@@H](C)C3)cc2F)CC1 ZINC000805006711 1078850682 /nfs/dbraw/zinc/85/06/82/1078850682.db2.gz CHBBYVRNCHFFQN-IAGOWNOFSA-N 1 0 418.557 2.525 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)cc2F)CC1 ZINC000805009995 1078853737 /nfs/dbraw/zinc/85/37/37/1078853737.db2.gz RAPXZHOFPGLBKO-SQGPQFPESA-N 1 0 418.557 2.525 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805637711 1079191598 /nfs/dbraw/zinc/19/15/98/1079191598.db2.gz YOTLFFBMSCNVFO-SFHVURJKSA-N 1 0 402.583 2.728 20 10 HFCDRO O=C(NCc1cnn2ccccc12)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805779815 1079250265 /nfs/dbraw/zinc/25/02/65/1079250265.db2.gz DMDUDTCHKBJDGY-UHFFFAOYSA-N 1 0 418.545 2.866 20 10 HFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806130618 1079459037 /nfs/dbraw/zinc/45/90/37/1079459037.db2.gz CCXRCWMGGMXDNC-FXAWDEMLSA-N 1 0 404.518 2.820 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](Cc3ccccc3)CC[C@@H]1C)cc2=O ZINC000746678447 1076769133 /nfs/dbraw/zinc/76/91/33/1076769133.db2.gz XFIDHBQZRHSQPB-KRWDZBQOSA-N 1 0 423.517 2.708 20 10 HFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000787438100 1076811053 /nfs/dbraw/zinc/81/10/53/1076811053.db2.gz HUZXKBUSFMEBQI-QGZVFWFLSA-N 1 0 406.429 2.968 20 10 HFCDRO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCC(C)CC1 ZINC000787614917 1076879128 /nfs/dbraw/zinc/87/91/28/1076879128.db2.gz GOVUYQKIWGJNQY-JOCHJYFZSA-N 1 0 414.594 2.558 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787627393 1076882976 /nfs/dbraw/zinc/88/29/76/1076882976.db2.gz QJEADBLSOPVSNP-UHFFFAOYSA-N 1 0 422.573 2.630 20 10 HFCDRO C[N@H+]1C[C@H]2CN(C(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)C[C@H]2C1 ZINC000787636948 1076891296 /nfs/dbraw/zinc/89/12/96/1076891296.db2.gz CJDVODNSGFUOEE-PAONJLBZSA-N 1 0 421.613 2.750 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000787715202 1076923791 /nfs/dbraw/zinc/92/37/91/1076923791.db2.gz BJJGEVOVMZBSLP-UHFFFAOYSA-N 1 0 422.573 2.714 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000787909051 1076991297 /nfs/dbraw/zinc/99/12/97/1076991297.db2.gz HMABQWRDKXZOSC-WOJBJXKFSA-N 1 0 414.594 2.777 20 10 HFCDRO CC(C)(C)OC(=O)N1CCN(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000788019667 1077030269 /nfs/dbraw/zinc/03/02/69/1077030269.db2.gz MAYPKHCZPIFSBJ-HXUWFJFHSA-N 1 0 419.566 2.926 20 10 HFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1 ZINC000788611070 1077207553 /nfs/dbraw/zinc/20/75/53/1077207553.db2.gz FEFTXTXAYIFXQJ-WMZOPIPTSA-N 1 0 416.493 2.908 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnc(OCC2CC2)cn1 ZINC000790903842 1077243314 /nfs/dbraw/zinc/24/33/14/1077243314.db2.gz DSSOZXJKCXCXRF-UHFFFAOYSA-N 1 0 421.545 2.727 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)Cc3ccc(C)cn3)CC2)cc1 ZINC000788691415 1077252092 /nfs/dbraw/zinc/25/20/92/1077252092.db2.gz OZJJFGJJDGBVJI-UHFFFAOYSA-N 1 0 411.550 2.752 20 10 HFCDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000746758243 1077263374 /nfs/dbraw/zinc/26/33/74/1077263374.db2.gz UUWWDBVOFVMIGW-UGKGYDQZSA-N 1 0 418.582 2.727 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000788930455 1077340380 /nfs/dbraw/zinc/34/03/80/1077340380.db2.gz AUNSCGOXSZPTSJ-QHCPKHFHSA-N 1 0 420.557 2.684 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000788954283 1077361434 /nfs/dbraw/zinc/36/14/34/1077361434.db2.gz JKSPSRTVYXQVPW-FGZHOGPDSA-N 1 0 408.546 2.711 20 10 HFCDRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000790068857 1077920594 /nfs/dbraw/zinc/92/05/94/1077920594.db2.gz FVUPYHZEIQMCOA-UHFFFAOYSA-N 1 0 401.482 2.565 20 10 HFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000790292640 1077987566 /nfs/dbraw/zinc/98/75/66/1077987566.db2.gz QCEBDUBYMVBQRC-VXKWHMMOSA-N 1 0 424.545 2.617 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000792863220 1078010848 /nfs/dbraw/zinc/01/08/48/1078010848.db2.gz KOOGVLUJQLVPAT-SIKLNZKXSA-N 1 0 403.567 2.919 20 10 HFCDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792839430 1078012339 /nfs/dbraw/zinc/01/23/39/1078012339.db2.gz NXIUMAPAIKYLEG-UHFFFAOYSA-N 1 0 415.456 2.663 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCCCC[C@@H]3CCO)cc2F)C[C@@H](C)O1 ZINC000792923631 1078026719 /nfs/dbraw/zinc/02/67/19/1078026719.db2.gz DZIJFAIJKMKJRZ-QWFCFKBJSA-N 1 0 421.557 2.683 20 10 HFCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000792948903 1078032902 /nfs/dbraw/zinc/03/29/02/1078032902.db2.gz MMRVVRAGPHDCNG-INIZCTEOSA-N 1 0 403.548 2.513 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(CCO)Cc3ccc(C)o3)cc2F)CC1 ZINC000792992320 1078042825 /nfs/dbraw/zinc/04/28/25/1078042825.db2.gz HDGUBISCZHDDIR-UHFFFAOYSA-N 1 0 418.513 2.573 20 10 HFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000806331010 1079602553 /nfs/dbraw/zinc/60/25/53/1079602553.db2.gz XOKJCWHQRDKASG-HXUWFJFHSA-N 1 0 400.567 2.626 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@H]3[C@H]3CCCO3)CC2)cc1 ZINC000806334389 1079606436 /nfs/dbraw/zinc/60/64/36/1079606436.db2.gz NMMRCYPHIZWCOH-FCHUYYIVSA-N 1 0 416.566 2.560 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000806505768 1079756803 /nfs/dbraw/zinc/75/68/03/1079756803.db2.gz XMLPREHUNINIJF-CTNGQTDRSA-N 1 0 400.567 2.624 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000807097027 1080274194 /nfs/dbraw/zinc/27/41/94/1080274194.db2.gz NBKDWXAFULIECG-HXUWFJFHSA-N 1 0 416.953 2.750 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807099833 1080278501 /nfs/dbraw/zinc/27/85/01/1080278501.db2.gz BOYYAOGZTXLIHW-KNQAVFIVSA-N 1 0 422.573 2.704 20 10 HFCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807099266 1080279028 /nfs/dbraw/zinc/27/90/28/1080279028.db2.gz POGAXPCHUJRCBZ-HSZRJFAPSA-N 1 0 422.573 2.800 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807545699 1080762219 /nfs/dbraw/zinc/76/22/19/1080762219.db2.gz JNDCUDLCGVINFX-FGSXEWAUSA-N 1 0 408.546 2.567 20 10 HFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3-n3cncn3)cc2)C1 ZINC000793043302 1078054511 /nfs/dbraw/zinc/05/45/11/1078054511.db2.gz LPTNJLZDEGUOIM-GOSISDBHSA-N 1 0 424.936 2.912 20 10 HFCDRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000793389060 1078163170 /nfs/dbraw/zinc/16/31/70/1078163170.db2.gz UURQFLGIBYJUPB-HNNXBMFYSA-N 1 0 402.491 2.945 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000793839211 1078311303 /nfs/dbraw/zinc/31/13/03/1078311303.db2.gz PKKLLGNZILISMZ-UHFFFAOYSA-N 1 0 422.573 2.787 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793909417 1078334845 /nfs/dbraw/zinc/33/48/45/1078334845.db2.gz GUBSUEOKDIJYMF-HDICACEKSA-N 1 0 414.594 2.558 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000793912280 1078336048 /nfs/dbraw/zinc/33/60/48/1078336048.db2.gz OZXXQHRJOOZALL-CEXWTWQISA-N 1 0 402.583 2.584 20 10 HFCDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000804697179 1078538869 /nfs/dbraw/zinc/53/88/69/1078538869.db2.gz WZPAJTKOJIMZBX-IBGZPJMESA-N 1 0 420.557 2.925 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804644241 1078698400 /nfs/dbraw/zinc/69/84/00/1078698400.db2.gz ZPCMZWKXIVGENP-UGKGYDQZSA-N 1 0 422.573 2.847 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000804852136 1078722381 /nfs/dbraw/zinc/72/23/81/1078722381.db2.gz AGDSTQBCUZQGCQ-LJQANCHMSA-N 1 0 418.557 2.765 20 10 HFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805020206 1078831986 /nfs/dbraw/zinc/83/19/86/1078831986.db2.gz PUFVVGCHWQUBJB-OAQYLSRUSA-N 1 0 414.594 2.633 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000805023681 1078834718 /nfs/dbraw/zinc/83/47/18/1078834718.db2.gz JZTIEDCEZUOAKT-QFIPXVFZSA-N 1 0 412.578 2.626 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000805025671 1078837608 /nfs/dbraw/zinc/83/76/08/1078837608.db2.gz TUTSUYKUGUKJJY-PMACEKPBSA-N 1 0 414.594 2.776 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000805025674 1078837949 /nfs/dbraw/zinc/83/79/49/1078837949.db2.gz TUTSUYKUGUKJJY-WOJBJXKFSA-N 1 0 414.594 2.776 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(CC(C)C)CC(C)C)cc2F)CC1 ZINC000805007186 1078852388 /nfs/dbraw/zinc/85/23/88/1078852388.db2.gz GMJLCXKAKPJQQW-UHFFFAOYSA-N 1 0 420.573 2.724 20 10 HFCDRO O=C(NCc1cc(Br)ccc1O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000805136243 1078934147 /nfs/dbraw/zinc/93/41/47/1078934147.db2.gz BLFLCMNZQRPERJ-UHFFFAOYSA-N 1 0 412.328 2.599 20 10 HFCDRO C[C@@H]1COCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805821632 1079292535 /nfs/dbraw/zinc/29/25/35/1079292535.db2.gz LWCDSRSZUJVPJF-NQIIRXRSSA-N 1 0 400.567 2.690 20 10 HFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](CCO)c3ccc(Cl)cc3)CC2)cc1 ZINC000805821989 1079293433 /nfs/dbraw/zinc/29/34/33/1079293433.db2.gz NPUKSYDJAHVZTK-NRFANRHFSA-N 1 0 417.937 2.711 20 10 HFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC001130497319 1079434274 /nfs/dbraw/zinc/43/42/74/1079434274.db2.gz QRLXESBLQGJPCR-UHFFFAOYSA-N 1 0 402.926 2.594 20 10 HFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cccc(-n4ccnn4)c3)CC2)cc1 ZINC000806133519 1079435160 /nfs/dbraw/zinc/43/51/60/1079435160.db2.gz ALILLVYUEYRZOW-LJQANCHMSA-N 1 0 406.534 2.749 20 10 HFCDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000806171094 1079460904 /nfs/dbraw/zinc/46/09/04/1079460904.db2.gz SBPLYBCRGQNDNH-AZUAARDMSA-N 1 0 408.612 2.988 20 10 HFCDRO CC(C)[C@H](CNC(=O)C(=O)NCCCSc1nccs1)[NH+]1CCC(C)CC1 ZINC000787615700 1076879904 /nfs/dbraw/zinc/87/99/04/1076879904.db2.gz JXCPIDPSCKYXPC-INIZCTEOSA-N 1 0 412.625 2.614 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000787617859 1076880445 /nfs/dbraw/zinc/88/04/45/1076880445.db2.gz UIWYDRIXBUQENA-OAQYLSRUSA-N 1 0 402.583 2.550 20 10 HFCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000787880783 1076975602 /nfs/dbraw/zinc/97/56/02/1076975602.db2.gz VZNNMUFYRPXVEN-UHFFFAOYSA-N 1 0 424.545 2.620 20 10 HFCDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000787908678 1076990078 /nfs/dbraw/zinc/99/00/78/1076990078.db2.gz INLRYVFHNGFVOW-IBGZPJMESA-N 1 0 414.594 2.872 20 10 HFCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000787901097 1077004661 /nfs/dbraw/zinc/00/46/61/1077004661.db2.gz ABQQFJFFQUYLSH-LJQANCHMSA-N 1 0 400.567 2.674 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@@H](OCC)C13CCCCC3)cc2=O ZINC000787994678 1077021538 /nfs/dbraw/zinc/02/15/38/1077021538.db2.gz FARUZWWGJBLMFJ-DLBZAZTESA-N 1 0 402.495 2.829 20 10 HFCDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCCO1 ZINC000788359028 1077124604 /nfs/dbraw/zinc/12/46/04/1077124604.db2.gz LWYFGWIHHDJLEV-UAOJZALGSA-N 1 0 422.481 2.573 20 10 HFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000788564747 1077195817 /nfs/dbraw/zinc/19/58/17/1077195817.db2.gz YCBTYJUYYGKJLU-MRXNPFEDSA-N 1 0 408.481 2.894 20 10 HFCDRO O=C([C@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1cccc(F)c1)N1CCOCC1 ZINC000788528954 1077203160 /nfs/dbraw/zinc/20/31/60/1077203160.db2.gz KRDYXNAKFBGVHT-KRWDZBQOSA-N 1 0 406.885 2.992 20 10 HFCDRO COc1ccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C ZINC000788528883 1077203517 /nfs/dbraw/zinc/20/35/17/1077203517.db2.gz IJUKBTFLZZGVGP-FQEVSTJZSA-N 1 0 400.494 2.950 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788934760 1077369373 /nfs/dbraw/zinc/36/93/73/1077369373.db2.gz ZBTJIAFFUCHNDE-JOCHJYFZSA-N 1 0 420.557 2.541 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc4nccnc4cc3F)CC2)cc1 ZINC000791474366 1077446098 /nfs/dbraw/zinc/44/60/98/1077446098.db2.gz COXOEWVKOZXQBT-UHFFFAOYSA-N 1 0 423.492 2.720 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4nccnc4cc3F)cc2F)CC1 ZINC000791574347 1077467036 /nfs/dbraw/zinc/46/70/36/1077467036.db2.gz RTXBFDSNDXJSDH-UHFFFAOYSA-N 1 0 411.456 2.980 20 10 HFCDRO CO[C@]1(C)CCC[N@H+](CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000791554759 1077476759 /nfs/dbraw/zinc/47/67/59/1077476759.db2.gz HBECAZWSSZQHHF-PNLZDCPESA-N 1 0 407.530 2.556 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000791685111 1077527331 /nfs/dbraw/zinc/52/73/31/1077527331.db2.gz MXFADAQRKZCYIH-IBGZPJMESA-N 1 0 424.511 2.719 20 10 HFCDRO CO[C@@]1(C)CCCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000792159951 1077726969 /nfs/dbraw/zinc/72/69/69/1077726969.db2.gz WDJIRIKHZRULCZ-QHCPKHFHSA-N 1 0 400.567 2.929 20 10 HFCDRO O=S(=O)(CCc1cccs1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000790042878 1077909708 /nfs/dbraw/zinc/90/97/08/1077909708.db2.gz LOBOBEXQSOKUKM-UHFFFAOYSA-N 1 0 419.616 2.942 20 10 HFCDRO CCOc1nc(C)ccc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000790220434 1077973066 /nfs/dbraw/zinc/97/30/66/1077973066.db2.gz SKAXRHIGCBPBAS-UHFFFAOYSA-N 1 0 412.534 2.739 20 10 HFCDRO COc1ccc(CNC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)c(O)c1 ZINC000792830980 1078007580 /nfs/dbraw/zinc/00/75/80/1078007580.db2.gz LVUUFJVXUOXKFT-UHFFFAOYSA-N 1 0 412.534 2.721 20 10 HFCDRO Cn1c(=O)sc2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)ccc21 ZINC000792931701 1078027916 /nfs/dbraw/zinc/02/79/16/1078027916.db2.gz XPLRQOJSDXYSDM-UHFFFAOYSA-N 1 0 401.507 2.990 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3Cc4ccccc4CO3)CC2)cc1 ZINC000806334919 1079605698 /nfs/dbraw/zinc/60/56/98/1079605698.db2.gz XKOPZMQDPZTSLE-UHFFFAOYSA-N 1 0 410.518 2.864 20 10 HFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000807298198 1080491702 /nfs/dbraw/zinc/49/17/02/1080491702.db2.gz YDKXPMQWDWRSSM-UHFFFAOYSA-N 1 0 423.557 2.736 20 10 HFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461734996 1126196681 /nfs/dbraw/zinc/19/66/81/1126196681.db2.gz IBGKPAFIIYEOHE-HSZRJFAPSA-N 1 0 401.526 2.669 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H](CO)CC1CCC1 ZINC000793131122 1078086889 /nfs/dbraw/zinc/08/68/89/1078086889.db2.gz HNQMXQLLNHARKE-OAQYLSRUSA-N 1 0 400.567 2.569 20 10 HFCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000793346180 1078154679 /nfs/dbraw/zinc/15/46/79/1078154679.db2.gz FKHQTSDOMFIQEI-LAUBAEHRSA-N 1 0 403.479 2.597 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793738777 1078286508 /nfs/dbraw/zinc/28/65/08/1078286508.db2.gz VNKBXSXEGKDWJE-UHFFFAOYSA-N 1 0 402.583 2.869 20 10 HFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901244 1078332816 /nfs/dbraw/zinc/33/28/16/1078332816.db2.gz LULMZICZZDWYSW-UXHICEINSA-N 1 0 414.594 2.776 20 10 HFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905150 1078333838 /nfs/dbraw/zinc/33/38/38/1078333838.db2.gz ZYRSLXZCMNVFFN-MSOLQXFVSA-N 1 0 413.518 2.751 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000793912288 1078336093 /nfs/dbraw/zinc/33/60/93/1078336093.db2.gz OZXXQHRJOOZALL-OTWHNJEPSA-N 1 0 402.583 2.584 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793914503 1078336697 /nfs/dbraw/zinc/33/66/97/1078336697.db2.gz ULSCMKXOIUKTLI-KDURUIRLSA-N 1 0 412.578 2.552 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793916032 1078337444 /nfs/dbraw/zinc/33/74/44/1078337444.db2.gz VHSPGQQZOYWVAH-GJZGRUSLSA-N 1 0 412.625 2.614 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000793900159 1078343932 /nfs/dbraw/zinc/34/39/32/1078343932.db2.gz GSWXNKOYUBXZGH-RTBURBONSA-N 1 0 402.583 2.726 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000793900090 1078344037 /nfs/dbraw/zinc/34/40/37/1078344037.db2.gz DZDZEXWBNMQBSK-RTBURBONSA-N 1 0 402.583 2.728 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[C@H](C)C3)cc2F)CC1 ZINC000793945449 1078354099 /nfs/dbraw/zinc/35/40/99/1078354099.db2.gz YEKLNIDSUDQSFX-ZWKOTPCHSA-N 1 0 418.557 2.526 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3CCC(C)CC3)cc2F)CC1 ZINC000793946149 1078354821 /nfs/dbraw/zinc/35/48/21/1078354821.db2.gz JNDFIQHVNHBKTR-UHFFFAOYSA-N 1 0 418.557 2.526 20 10 HFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000804424258 1078470884 /nfs/dbraw/zinc/47/08/84/1078470884.db2.gz CQIBKUJTVOXFRN-NRFANRHFSA-N 1 0 400.567 2.626 20 10 HFCDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1cc(Br)ccc1O ZINC000804738853 1078574886 /nfs/dbraw/zinc/57/48/86/1078574886.db2.gz HIFHTTAGOMPSNY-UHFFFAOYSA-N 1 0 418.335 2.983 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC000804853111 1078724704 /nfs/dbraw/zinc/72/47/04/1078724704.db2.gz SZXWHUPXUKIEPJ-LJQANCHMSA-N 1 0 406.546 2.525 20 10 HFCDRO Cc1ccc([C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)[NH+]2CCCC2)cc1 ZINC000747217130 1078725750 /nfs/dbraw/zinc/72/57/50/1078725750.db2.gz KEOOEKLMJHTDQY-LJQANCHMSA-N 1 0 417.531 2.639 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C1 ZINC001130055545 1078841662 /nfs/dbraw/zinc/84/16/62/1078841662.db2.gz MLUDQPATXDSXIJ-IYARVYRRSA-N 1 0 410.562 2.816 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000805007078 1078852336 /nfs/dbraw/zinc/85/23/36/1078852336.db2.gz MPELKLNXEOJQLT-MJGOQNOKSA-N 1 0 418.557 2.621 20 10 HFCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000805636331 1079189062 /nfs/dbraw/zinc/18/90/62/1079189062.db2.gz NSIDJQGCZSTHBU-MRXNPFEDSA-N 1 0 406.546 2.525 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000806044021 1079411915 /nfs/dbraw/zinc/41/19/15/1079411915.db2.gz VVWPYSKSBCMNFG-UHFFFAOYSA-N 1 0 401.482 2.648 20 10 HFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806130625 1079459138 /nfs/dbraw/zinc/45/91/38/1079459138.db2.gz CCXRCWMGGMXDNC-YLJYHZDGSA-N 1 0 404.518 2.820 20 10 HFCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000787615636 1076879865 /nfs/dbraw/zinc/87/98/65/1076879865.db2.gz JJQAOGCWSPKBFA-HXUWFJFHSA-N 1 0 416.591 2.972 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000787711317 1076922055 /nfs/dbraw/zinc/92/20/55/1076922055.db2.gz OYCBTJGAGZGDAR-UHFFFAOYSA-N 1 0 422.573 2.666 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787907750 1076990609 /nfs/dbraw/zinc/99/06/09/1076990609.db2.gz ARXZWPCTHJPDPV-BGYRXZFFSA-N 1 0 416.610 2.975 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000787910405 1076991497 /nfs/dbraw/zinc/99/14/97/1076991497.db2.gz MBMALWRLIWYMBX-BGYRXZFFSA-N 1 0 412.578 2.553 20 10 HFCDRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000788462372 1077167929 /nfs/dbraw/zinc/16/79/29/1077167929.db2.gz YYPBUQQLILPJIR-UHFFFAOYSA-N 1 0 411.502 2.505 20 10 HFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1 ZINC000788611069 1077207562 /nfs/dbraw/zinc/20/75/62/1077207562.db2.gz FEFTXTXAYIFXQJ-SJLPKXTDSA-N 1 0 416.493 2.908 20 10 HFCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(O)c1 ZINC000788638778 1077242798 /nfs/dbraw/zinc/24/27/98/1077242798.db2.gz JNAPEBSGNFLMTD-RBUKOAKNSA-N 1 0 411.550 2.955 20 10 HFCDRO CCOC1CC(CCNC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000788782525 1077300046 /nfs/dbraw/zinc/30/00/46/1077300046.db2.gz OBACFKLLCOQBET-UHFFFAOYSA-N 1 0 406.546 2.972 20 10 HFCDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788930803 1077341832 /nfs/dbraw/zinc/34/18/32/1077341832.db2.gz AFTAAMKZDMIYGJ-UHFFFAOYSA-N 1 0 408.546 2.623 20 10 HFCDRO CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1F ZINC000789436543 1077572239 /nfs/dbraw/zinc/57/22/39/1077572239.db2.gz SJANPMWXBDZZFH-SFHVURJKSA-N 1 0 414.481 2.532 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789507398 1077601746 /nfs/dbraw/zinc/60/17/46/1077601746.db2.gz NCSPUYKAWZVUGQ-HXUWFJFHSA-N 1 0 410.518 2.701 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789651252 1077719232 /nfs/dbraw/zinc/71/92/32/1077719232.db2.gz FJLLGTHVQLUBJD-OAQYLSRUSA-N 1 0 409.530 2.912 20 10 HFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798995 1077904349 /nfs/dbraw/zinc/90/43/49/1077904349.db2.gz VNCCWPDLGTWMLO-HZPDHXFCSA-N 1 0 419.547 2.518 20 10 HFCDRO Cc1nc(CS(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cs1 ZINC000790043585 1077909225 /nfs/dbraw/zinc/90/92/25/1077909225.db2.gz OXGDNVOBWCRVKO-UHFFFAOYSA-N 1 0 420.604 2.603 20 10 HFCDRO COCCN(C)c1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cn1 ZINC000790107229 1077938600 /nfs/dbraw/zinc/93/86/00/1077938600.db2.gz DPUIQXSFMNJTPD-LFIBNONCSA-N 1 0 422.620 2.953 20 10 HFCDRO CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C[NH+]1CCCC1 ZINC000790231252 1077981467 /nfs/dbraw/zinc/98/14/67/1077981467.db2.gz MHCZFWDYOVITSY-UHFFFAOYSA-N 1 0 402.583 2.817 20 10 HFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCC(CC(F)(F)F)CC3)CC2)cc1 ZINC000792932884 1078028550 /nfs/dbraw/zinc/02/85/50/1078028550.db2.gz FOPJDZVZYLHNEJ-IBGZPJMESA-N 1 0 415.500 2.843 20 10 HFCDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000792935328 1078028934 /nfs/dbraw/zinc/02/89/34/1078028934.db2.gz HVOJLHBXXNPVSD-UHFFFAOYSA-N 1 0 401.454 2.840 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806282914 1079544967 /nfs/dbraw/zinc/54/49/67/1079544967.db2.gz YIWDEJNMGFSXDE-KRWDZBQOSA-N 1 0 418.588 2.522 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc4n(n3)CCCC4)cc2F)CC1 ZINC000806718740 1079943142 /nfs/dbraw/zinc/94/31/42/1079943142.db2.gz MNOGUCJSFPDNHC-UHFFFAOYSA-N 1 0 400.502 2.822 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000807096192 1080275288 /nfs/dbraw/zinc/27/52/88/1080275288.db2.gz IYOZJGHSBSCSJR-HXUWFJFHSA-N 1 0 414.594 2.648 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000807098160 1080277724 /nfs/dbraw/zinc/27/77/24/1080277724.db2.gz WDCLZWTWBSNNIK-UHFFFAOYSA-N 1 0 422.573 2.800 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807099835 1080278585 /nfs/dbraw/zinc/27/85/85/1080278585.db2.gz BOYYAOGZTXLIHW-UGKGYDQZSA-N 1 0 422.573 2.704 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807099358 1080278844 /nfs/dbraw/zinc/27/88/44/1080278844.db2.gz SUUOUEDMYVZQHM-CVDCTZTESA-N 1 0 422.573 2.704 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807113376 1080291104 /nfs/dbraw/zinc/29/11/04/1080291104.db2.gz CXPTXQZOMVFYAO-YDHSSHFGSA-N 1 0 422.573 2.957 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000807290904 1080457800 /nfs/dbraw/zinc/45/78/00/1080457800.db2.gz OWVOAHWGDJECEE-JOCHJYFZSA-N 1 0 424.589 2.794 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807546667 1080764025 /nfs/dbraw/zinc/76/40/25/1080764025.db2.gz QJFPTNNQTJRKCV-AUSIDOKSSA-N 1 0 422.573 2.738 20 10 HFCDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000790544657 1078060046 /nfs/dbraw/zinc/06/00/46/1078060046.db2.gz XYHKULDQYZEDIH-OAQYLSRUSA-N 1 0 402.583 2.815 20 10 HFCDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[NH+]2CCC1CC2 ZINC000790671557 1078086272 /nfs/dbraw/zinc/08/62/72/1078086272.db2.gz HOGZLLYJHMKHFP-UHFFFAOYSA-N 1 0 412.456 2.532 20 10 HFCDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000793737373 1078285654 /nfs/dbraw/zinc/28/56/54/1078285654.db2.gz HTXURDCXOCVRPZ-UHFFFAOYSA-N 1 0 413.518 2.893 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC000793738488 1078285758 /nfs/dbraw/zinc/28/57/58/1078285758.db2.gz RLQJGLFJUFRNRN-UHFFFAOYSA-N 1 0 414.594 2.918 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793838614 1078310847 /nfs/dbraw/zinc/31/08/47/1078310847.db2.gz ASEQNARNBIGBNT-OAQYLSRUSA-N 1 0 422.573 2.706 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793930780 1078341429 /nfs/dbraw/zinc/34/14/29/1078341429.db2.gz LHKUXSFQXZAJLO-NQIIRXRSSA-N 1 0 408.546 2.629 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793932037 1078341752 /nfs/dbraw/zinc/34/17/52/1078341752.db2.gz RJVBDPLUEAVUAU-XMSQKQJNSA-N 1 0 420.557 2.637 20 10 HFCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643842 1078699428 /nfs/dbraw/zinc/69/94/28/1078699428.db2.gz PYVLLRCUZAIQER-KNQAVFIVSA-N 1 0 422.573 2.880 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000804853008 1078724682 /nfs/dbraw/zinc/72/46/82/1078724682.db2.gz RMDIBORCRJIDAK-UHFFFAOYSA-N 1 0 418.557 2.765 20 10 HFCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805025096 1078838575 /nfs/dbraw/zinc/83/85/75/1078838575.db2.gz IMSFHBLEGREMKC-LJQANCHMSA-N 1 0 414.594 2.728 20 10 HFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000805023397 1078835134 /nfs/dbraw/zinc/83/51/34/1078835134.db2.gz GVJPVWQSAFODDD-DENIHFKCSA-N 1 0 414.594 2.728 20 10 HFCDRO CC[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000805007432 1078852353 /nfs/dbraw/zinc/85/23/53/1078852353.db2.gz LPCPRTGHTMIWID-IEBWSBKVSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000805635794 1079190189 /nfs/dbraw/zinc/19/01/89/1079190189.db2.gz BFVXUOPMUQCRAP-IBGZPJMESA-N 1 0 412.578 2.696 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C)cc2=O ZINC000805832972 1079273310 /nfs/dbraw/zinc/27/33/10/1079273310.db2.gz PIHRUCSEZNAYOS-CYBMUJFWSA-N 1 0 414.462 2.788 20 10 HFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC000806145556 1079466632 /nfs/dbraw/zinc/46/66/32/1079466632.db2.gz CQZCQXKKZWJRLX-CQSZACIVSA-N 1 0 413.883 2.973 20 10 HFCDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000787306329 1076753955 /nfs/dbraw/zinc/75/39/55/1076753955.db2.gz VYHJYZDQKBSDCG-BAGYTPMASA-N 1 0 407.624 2.832 20 10 HFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000788607707 1077222534 /nfs/dbraw/zinc/22/25/34/1077222534.db2.gz MHFOSRGHOFDXNL-KZNAEPCWSA-N 1 0 400.972 2.955 20 10 HFCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(O)c1 ZINC000788638777 1077242894 /nfs/dbraw/zinc/24/28/94/1077242894.db2.gz JNAPEBSGNFLMTD-OALUTQOASA-N 1 0 411.550 2.955 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1)C1CCCCC1 ZINC000788793703 1077290080 /nfs/dbraw/zinc/29/00/80/1077290080.db2.gz CRSZIVOTTSBLTB-IBGZPJMESA-N 1 0 412.578 2.672 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000788928590 1077338750 /nfs/dbraw/zinc/33/87/50/1077338750.db2.gz LRZFOTDSXFFZFD-SIKLNZKXSA-N 1 0 412.578 2.624 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788953483 1077360798 /nfs/dbraw/zinc/36/07/98/1077360798.db2.gz CAOHFQYYBISQST-JOCHJYFZSA-N 1 0 422.573 2.787 20 10 HFCDRO COc1ccc2nc(C[NH2+]Cc3ccc(N4CCS(=O)(=O)CC4)cc3)sc2c1 ZINC000788962163 1077364153 /nfs/dbraw/zinc/36/41/53/1077364153.db2.gz GWHAITZVBYYSKV-UHFFFAOYSA-N 1 0 417.556 2.830 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000788967345 1077365971 /nfs/dbraw/zinc/36/59/71/1077365971.db2.gz XQNMIPMVIRFBGN-OAQYLSRUSA-N 1 0 400.567 2.626 20 10 HFCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000788934346 1077368105 /nfs/dbraw/zinc/36/81/05/1077368105.db2.gz WIBBHXHCBABENE-HXUWFJFHSA-N 1 0 412.534 2.695 20 10 HFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788934777 1077368991 /nfs/dbraw/zinc/36/89/91/1077368991.db2.gz ZEMBOEFIRQDEOD-QHCPKHFHSA-N 1 0 420.557 2.636 20 10 HFCDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)([NH+](C)C)C1 ZINC000788935759 1077369746 /nfs/dbraw/zinc/36/97/46/1077369746.db2.gz DXYOKHHBACAJGO-FDDCHVKYSA-N 1 0 400.567 2.530 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000789657547 1077723194 /nfs/dbraw/zinc/72/31/94/1077723194.db2.gz AJCSTXXASIJJMV-GHTZIAJQSA-N 1 0 408.546 2.711 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1)C1CCCCC1 ZINC000790273799 1077993144 /nfs/dbraw/zinc/99/31/44/1077993144.db2.gz HWQAXYQZGSIHNK-FCHUYYIVSA-N 1 0 412.578 2.815 20 10 HFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc4c(c3)sc(=O)n4C)CC2)cc1 ZINC000792936765 1078029242 /nfs/dbraw/zinc/02/92/42/1078029242.db2.gz PWFGMCANUSVGJD-UHFFFAOYSA-N 1 0 412.559 2.520 20 10 HFCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277334 1079540811 /nfs/dbraw/zinc/54/08/11/1079540811.db2.gz YMDJBPVGHSMRDK-DLBZAZTESA-N 1 0 424.636 2.855 20 10 HFCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277337 1079540850 /nfs/dbraw/zinc/54/08/50/1079540850.db2.gz YMDJBPVGHSMRDK-SJORKVTESA-N 1 0 424.636 2.855 20 10 HFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000806331009 1079601973 /nfs/dbraw/zinc/60/19/73/1079601973.db2.gz XOKJCWHQRDKASG-FQEVSTJZSA-N 1 0 400.567 2.626 20 10 HFCDRO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806510934 1079787800 /nfs/dbraw/zinc/78/78/00/1079787800.db2.gz BNSHEQRWPLYFKU-CVDCTZTESA-N 1 0 408.546 2.985 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3[C@@H]3CCCO3)cc2F)CC1 ZINC000806749781 1079965956 /nfs/dbraw/zinc/96/59/56/1079965956.db2.gz FFEWALMYOVQDRP-RTWAWAEBSA-N 1 0 404.530 2.821 20 10 HFCDRO CC1(C)CCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000806894240 1080100848 /nfs/dbraw/zinc/10/08/48/1080100848.db2.gz PNNXXEDOSJSPPH-NRFANRHFSA-N 1 0 412.578 2.530 20 10 HFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCC3([NH+](C)C)CCC3)cc2Cl)C1 ZINC000807027739 1080221697 /nfs/dbraw/zinc/22/16/97/1080221697.db2.gz YSIJORUXXNCHQA-MRXNPFEDSA-N 1 0 420.985 2.793 20 10 HFCDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000807099031 1080277125 /nfs/dbraw/zinc/27/71/25/1080277125.db2.gz IQDSATGUTBNNMD-UHFFFAOYSA-N 1 0 410.562 2.576 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000807098284 1080277675 /nfs/dbraw/zinc/27/76/75/1080277675.db2.gz VRALXVUHKGMOAU-HSZRJFAPSA-N 1 0 422.573 2.800 20 10 HFCDRO CCC(CC)[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[NH+]1CCCC1 ZINC000807100729 1080279928 /nfs/dbraw/zinc/27/99/28/1080279928.db2.gz PMXFIPOJXFIMNG-NRFANRHFSA-N 1 0 402.583 2.694 20 10 HFCDRO CN1CCOc2ccc(C(=O)NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)cc21 ZINC000807185025 1080378336 /nfs/dbraw/zinc/37/83/36/1080378336.db2.gz YFBCBFPWVVQMNG-UHFFFAOYSA-N 1 0 420.557 2.977 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807546160 1080762155 /nfs/dbraw/zinc/76/21/55/1080762155.db2.gz QXODONYWZKBWKC-WIYYLYMNSA-N 1 0 409.530 2.768 20 10 HFCDRO O=C(Cc1ccc2n[nH]cc2c1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793759589 1078280299 /nfs/dbraw/zinc/28/02/99/1078280299.db2.gz ILFJALUFIUNPRY-UHFFFAOYSA-N 1 0 403.530 2.954 20 10 HFCDRO CC[NH+]1CCC(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000793814742 1078315864 /nfs/dbraw/zinc/31/58/64/1078315864.db2.gz PFHGLHMUWFGXDM-UHFFFAOYSA-N 1 0 401.551 2.902 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C(=O)OC)ccc3[N+](=O)[O-])cc2F)CC1 ZINC000804440486 1078505657 /nfs/dbraw/zinc/50/56/57/1078505657.db2.gz HDDIANYIYYORBS-UHFFFAOYSA-N 1 0 417.441 2.670 20 10 HFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804851793 1078720412 /nfs/dbraw/zinc/72/04/12/1078720412.db2.gz PBFHXUQSCRTLRW-SFHVURJKSA-N 1 0 406.546 2.669 20 10 HFCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805025094 1078838453 /nfs/dbraw/zinc/83/84/53/1078838453.db2.gz IMSFHBLEGREMKC-IBGZPJMESA-N 1 0 414.594 2.728 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000805026541 1078839018 /nfs/dbraw/zinc/83/90/18/1078839018.db2.gz RGZQQFMFAZCNOU-OAQYLSRUSA-N 1 0 414.594 2.872 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)cc2F)CC1 ZINC000805009992 1078853199 /nfs/dbraw/zinc/85/31/99/1078853199.db2.gz RAPXZHOFPGLBKO-ABSDTBQOSA-N 1 0 418.557 2.525 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196278 1078970666 /nfs/dbraw/zinc/97/06/66/1078970666.db2.gz SMTPXOKYXATQBG-VWLOTQADSA-N 1 0 422.573 2.848 20 10 HFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2Cl)C1 ZINC000806042842 1079411615 /nfs/dbraw/zinc/41/16/15/1079411615.db2.gz VFLHOQJGAGBSNI-JFIYKMOQSA-N 1 0 420.985 2.791 20 10 HFCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000806171095 1079460974 /nfs/dbraw/zinc/46/09/74/1079460974.db2.gz SBPLYBCRGQNDNH-UYAOXDASSA-N 1 0 408.612 2.988 20 10 HFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170619 1079461554 /nfs/dbraw/zinc/46/15/54/1079461554.db2.gz XLGUDFHRHMTHIN-IFXJQAMLSA-N 1 0 400.475 2.870 20 10 HFCDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787302221 1076750938 /nfs/dbraw/zinc/75/09/38/1076750938.db2.gz HLEJBRRKEUHYNP-AZUAARDMSA-N 1 0 409.571 2.932 20 10 HFCDRO CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787617958 1076880588 /nfs/dbraw/zinc/88/05/88/1076880588.db2.gz WCBSYQHKWXNCSA-NRFANRHFSA-N 1 0 402.583 2.584 20 10 HFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000787690964 1076913777 /nfs/dbraw/zinc/91/37/77/1076913777.db2.gz PJQVKOWBCGTYSK-INIZCTEOSA-N 1 0 414.516 2.963 20 10 HFCDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000787908682 1076990099 /nfs/dbraw/zinc/99/00/99/1076990099.db2.gz INLRYVFHNGFVOW-LJQANCHMSA-N 1 0 414.594 2.872 20 10 HFCDRO C[NH+](C)[C@]1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCSC1 ZINC000788241196 1077085199 /nfs/dbraw/zinc/08/51/99/1077085199.db2.gz CNSIZAVIXKVTSQ-QFIPXVFZSA-N 1 0 419.591 2.607 20 10 HFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000788563184 1077201803 /nfs/dbraw/zinc/20/18/03/1077201803.db2.gz OHDKLAVOEBCKHG-OAQYLSRUSA-N 1 0 423.540 2.953 20 10 HFCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(O)c1 ZINC000788638779 1077242856 /nfs/dbraw/zinc/24/28/56/1077242856.db2.gz JNAPEBSGNFLMTD-RTBURBONSA-N 1 0 411.550 2.955 20 10 HFCDRO CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788930653 1077340012 /nfs/dbraw/zinc/34/00/12/1077340012.db2.gz UOQGGCJJQKCAJQ-HSZRJFAPSA-N 1 0 420.557 2.636 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000788929803 1077340922 /nfs/dbraw/zinc/34/09/22/1077340922.db2.gz ZSNKGZMBZVSBEC-UHFFFAOYSA-N 1 0 400.567 2.626 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000788931051 1077341485 /nfs/dbraw/zinc/34/14/85/1077341485.db2.gz DCCOMMRMOZUEKO-UYAOXDASSA-N 1 0 412.578 2.672 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000788931049 1077341582 /nfs/dbraw/zinc/34/15/82/1077341582.db2.gz DCCOMMRMOZUEKO-QUCCMNQESA-N 1 0 412.578 2.672 20 10 HFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000788908878 1077349214 /nfs/dbraw/zinc/34/92/14/1077349214.db2.gz CIWRKZRSPVLKOQ-UHFFFAOYSA-N 1 0 408.546 2.671 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000788977812 1077381886 /nfs/dbraw/zinc/38/18/86/1077381886.db2.gz NAXJNEFFVUYWAZ-UHFFFAOYSA-N 1 0 423.561 2.577 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000788977808 1077381960 /nfs/dbraw/zinc/38/19/60/1077381960.db2.gz MYEBDMQRMRTAJD-OAQYLSRUSA-N 1 0 414.525 2.707 20 10 HFCDRO CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1F ZINC000789436542 1077572182 /nfs/dbraw/zinc/57/21/82/1077572182.db2.gz SJANPMWXBDZZFH-GOSISDBHSA-N 1 0 414.481 2.532 20 10 HFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(Br)c3)CC1)[C@H](O)CO2 ZINC000789544788 1077636937 /nfs/dbraw/zinc/63/69/37/1077636937.db2.gz CZDYKBLXJGBXJQ-GOSISDBHSA-N 1 0 405.292 2.903 20 10 HFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792053120 1077659469 /nfs/dbraw/zinc/65/94/69/1077659469.db2.gz XUTDHSYPRLODMT-ZRZAMGCNSA-N 1 0 420.557 2.797 20 10 HFCDRO COCCN(C)c1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cn1 ZINC000790107230 1077938590 /nfs/dbraw/zinc/93/85/90/1077938590.db2.gz DPUIQXSFMNJTPD-WJDWOHSUSA-N 1 0 422.620 2.953 20 10 HFCDRO CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C[NH+]1CCCC1 ZINC000790219808 1077972896 /nfs/dbraw/zinc/97/28/96/1077972896.db2.gz NOMVLFGXGMDMGJ-UHFFFAOYSA-N 1 0 406.546 2.708 20 10 HFCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000806425858 1079671257 /nfs/dbraw/zinc/67/12/57/1079671257.db2.gz QWWJOTZEMTYMBS-AVRDEDQJSA-N 1 0 408.546 2.711 20 10 HFCDRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000806788718 1080009614 /nfs/dbraw/zinc/00/96/14/1080009614.db2.gz HHXGCFBHVKPDON-LAUBAEHRSA-N 1 0 400.567 2.843 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCN(CC(F)F)CC3)cc2F)CC1 ZINC000806810037 1080024229 /nfs/dbraw/zinc/02/42/29/1080024229.db2.gz OHVPVKBPUMBFAC-UHFFFAOYSA-N 1 0 412.500 2.561 20 10 HFCDRO CC1(C)CCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000806894241 1080100813 /nfs/dbraw/zinc/10/08/13/1080100813.db2.gz PNNXXEDOSJSPPH-OAQYLSRUSA-N 1 0 412.578 2.530 20 10 HFCDRO Cc1noc([C@H]2CCCN2C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000807063757 1080244986 /nfs/dbraw/zinc/24/49/86/1080244986.db2.gz ZTQVNZVDAATIPX-OAQYLSRUSA-N 1 0 424.549 2.957 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@]2(C1)CCCOC2 ZINC000807063369 1080246032 /nfs/dbraw/zinc/24/60/32/1080246032.db2.gz SUGZHQQSFUHXFF-DEOSSOPVSA-N 1 0 412.578 2.931 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000807096967 1080274733 /nfs/dbraw/zinc/27/47/33/1080274733.db2.gz MHYYVLZYBDQVDH-PMACEKPBSA-N 1 0 414.594 2.790 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000807099850 1080278464 /nfs/dbraw/zinc/27/84/64/1080278464.db2.gz CHGZRNLWMWOZHU-UHFFFAOYSA-N 1 0 414.594 2.792 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000807101266 1080281478 /nfs/dbraw/zinc/28/14/78/1080281478.db2.gz VWZFSGJFZPQAED-LJQANCHMSA-N 1 0 410.562 2.704 20 10 HFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CN(CC(F)(F)F)C1 ZINC000807106758 1080285391 /nfs/dbraw/zinc/28/53/91/1080285391.db2.gz AXPVKZOSNMLDNB-HNNXBMFYSA-N 1 0 405.848 2.620 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807546157 1080762271 /nfs/dbraw/zinc/76/22/71/1080762271.db2.gz QXODONYWZKBWKC-GHTZIAJQSA-N 1 0 409.530 2.768 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807546670 1080763977 /nfs/dbraw/zinc/76/39/77/1080763977.db2.gz QJFPTNNQTJRKCV-XXBNENTESA-N 1 0 422.573 2.738 20 10 HFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC001474257074 1126203887 /nfs/dbraw/zinc/20/38/87/1126203887.db2.gz BPIPSZSDMIMLJP-DEOSSOPVSA-N 1 0 414.546 2.748 20 10 HFCDRO C[N@H+](CCOc1cccc(CNC(=O)c2cccc(O)c2O)c1)C1CCOCC1 ZINC000790641046 1078073629 /nfs/dbraw/zinc/07/36/29/1078073629.db2.gz VASPFLOXBOIEFG-UHFFFAOYSA-N 1 0 400.475 2.517 20 10 HFCDRO O=C(C[NH2+]Cc1cc(F)ccc1O)Nc1ccc(I)cc1 ZINC000793606780 1078223727 /nfs/dbraw/zinc/22/37/27/1078223727.db2.gz NAVCQNJPSYXKKV-UHFFFAOYSA-N 1 0 400.191 2.864 20 10 HFCDRO Cc1ccc([C@@H](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[NH+](C)C)cc1 ZINC000793723329 1078266262 /nfs/dbraw/zinc/26/62/62/1078266262.db2.gz WNLGNHIAJDSHOA-HSZRJFAPSA-N 1 0 422.573 2.971 20 10 HFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N(C)CC(F)(F)F ZINC000793759369 1078279521 /nfs/dbraw/zinc/27/95/21/1078279521.db2.gz HASBZZDUBVQZNG-MRXNPFEDSA-N 1 0 412.500 2.717 20 10 HFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904374 1078333454 /nfs/dbraw/zinc/33/34/54/1078333454.db2.gz XJMAKTBNPWVTFH-VQTJNVASSA-N 1 0 414.594 2.872 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793932433 1078341843 /nfs/dbraw/zinc/34/18/43/1078341843.db2.gz TZHDMYOXKJSGMB-KNQAVFIVSA-N 1 0 418.541 2.631 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793928418 1078340319 /nfs/dbraw/zinc/34/03/19/1078340319.db2.gz BKZOTGKRFFUMPO-BBTUJRGHSA-N 1 0 408.546 2.882 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3C)cc2F)CC1 ZINC000793945379 1078354056 /nfs/dbraw/zinc/35/40/56/1078354056.db2.gz XVCVKGJJFDWONX-HKUYNNGSSA-N 1 0 418.557 2.526 20 10 HFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446619 1078513760 /nfs/dbraw/zinc/51/37/60/1078513760.db2.gz LVQPOVKNKDESHK-OEAKIKGJSA-N 1 0 407.514 2.530 20 10 HFCDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000804697180 1078538893 /nfs/dbraw/zinc/53/88/93/1078538893.db2.gz WZPAJTKOJIMZBX-LJQANCHMSA-N 1 0 420.557 2.925 20 10 HFCDRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000804625979 1078677566 /nfs/dbraw/zinc/67/75/66/1078677566.db2.gz ARHWANXDLDWNSG-UHFFFAOYSA-N 1 0 414.550 2.689 20 10 HFCDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000804851767 1078720389 /nfs/dbraw/zinc/72/03/89/1078720389.db2.gz OJHWOENFAJOHRG-UHFFFAOYSA-N 1 0 406.546 2.621 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1F ZINC000804852261 1078721862 /nfs/dbraw/zinc/72/18/62/1078721862.db2.gz FKQHPVCLOMJFHL-UHFFFAOYSA-N 1 0 406.546 2.621 20 10 HFCDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000804976291 1078812222 /nfs/dbraw/zinc/81/22/22/1078812222.db2.gz WUOBKMGUBRVXDK-UHFFFAOYSA-N 1 0 400.523 2.780 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C[NH+]1CCCCC1 ZINC000805023807 1078834778 /nfs/dbraw/zinc/83/47/78/1078834778.db2.gz BAPLNQJRPIKWCY-HXUWFJFHSA-N 1 0 414.594 2.777 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000805023582 1078835104 /nfs/dbraw/zinc/83/51/04/1078835104.db2.gz JZTIEDCEZUOAKT-JOCHJYFZSA-N 1 0 412.578 2.626 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)cc2)CC1 ZINC000805023482 1078835466 /nfs/dbraw/zinc/83/54/66/1078835466.db2.gz HQDYCGVAVYTXFJ-UHFFFAOYSA-N 1 0 412.578 2.672 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)cc2)CC1 ZINC000805024918 1078836294 /nfs/dbraw/zinc/83/62/94/1078836294.db2.gz XIWWQPRDAVQIGT-UHFFFAOYSA-N 1 0 412.578 2.626 20 10 HFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805024766 1078836904 /nfs/dbraw/zinc/83/69/04/1078836904.db2.gz VMAKRYIFAKPDCS-HXUWFJFHSA-N 1 0 400.567 2.530 20 10 HFCDRO C[C@@H](CO)[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CCCC1 ZINC000805752163 1079231208 /nfs/dbraw/zinc/23/12/08/1079231208.db2.gz ZRCUGYPEJGHJAC-OKZBNKHCSA-N 1 0 421.557 2.681 20 10 HFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1 ZINC000806182970 1079477180 /nfs/dbraw/zinc/47/71/80/1079477180.db2.gz IMFJYTGCLWGZAN-IBGZPJMESA-N 1 0 415.559 2.717 20 10 HFCDRO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787451898 1076816710 /nfs/dbraw/zinc/81/67/10/1076816710.db2.gz ZYBSKQVBYOVUCS-RBUKOAKNSA-N 1 0 407.942 2.821 20 10 HFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000787432272 1076821716 /nfs/dbraw/zinc/82/17/16/1076821716.db2.gz NKONJEMJGKSLLA-UHFFFAOYSA-N 1 0 424.545 2.697 20 10 HFCDRO CC(C)[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)[NH+]1CCC(C)CC1 ZINC000787615913 1076879809 /nfs/dbraw/zinc/87/98/09/1076879809.db2.gz JXCPIDPSCKYXPC-MRXNPFEDSA-N 1 0 412.625 2.614 20 10 HFCDRO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCC(C)CC1 ZINC000787617068 1076880148 /nfs/dbraw/zinc/88/01/48/1076880148.db2.gz RAXWEXCHLIERHP-JOCHJYFZSA-N 1 0 412.578 2.552 20 10 HFCDRO C[N@H+]1C[C@H]2CN(C(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)C[C@H]2C1 ZINC000787636956 1076891276 /nfs/dbraw/zinc/89/12/76/1076891276.db2.gz CJDVODNSGFUOEE-TZZOCQFFSA-N 1 0 421.613 2.750 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000787636812 1076891516 /nfs/dbraw/zinc/89/15/16/1076891516.db2.gz IXRQBGYFSFKKNZ-NRFANRHFSA-N 1 0 414.525 2.707 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1F ZINC000787640824 1076892851 /nfs/dbraw/zinc/89/28/51/1076892851.db2.gz REDCUJJTDHAOIG-LJQANCHMSA-N 1 0 420.554 2.769 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000787909603 1076990588 /nfs/dbraw/zinc/99/05/88/1076990588.db2.gz ISYDRWUOMVKWJK-RTBURBONSA-N 1 0 402.583 2.585 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000787909048 1076991292 /nfs/dbraw/zinc/99/12/92/1076991292.db2.gz HMABQWRDKXZOSC-PMACEKPBSA-N 1 0 414.594 2.777 20 10 HFCDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CCCO1 ZINC000788360660 1077125564 /nfs/dbraw/zinc/12/55/64/1077125564.db2.gz ZPRIKPDWBGNLJD-SZFUDVHCSA-N 1 0 422.481 2.573 20 10 HFCDRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788585016 1077212906 /nfs/dbraw/zinc/21/29/06/1077212906.db2.gz RZTAKMPILZBRSQ-AEFFLSMTSA-N 1 0 409.502 2.922 20 10 HFCDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000788598284 1077217896 /nfs/dbraw/zinc/21/78/96/1077217896.db2.gz PHMAALHWCCHIGO-UHFFFAOYSA-N 1 0 405.589 2.780 20 10 HFCDRO CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788930655 1077340073 /nfs/dbraw/zinc/34/00/73/1077340073.db2.gz UOQGGCJJQKCAJQ-QHCPKHFHSA-N 1 0 420.557 2.636 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000788954282 1077361502 /nfs/dbraw/zinc/36/15/02/1077361502.db2.gz JKSPSRTVYXQVPW-FCHUYYIVSA-N 1 0 408.546 2.711 20 10 HFCDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)([NH+](C)C)C1 ZINC000788935760 1077369809 /nfs/dbraw/zinc/36/98/09/1077369809.db2.gz DXYOKHHBACAJGO-JPYJTQIMSA-N 1 0 400.567 2.530 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000789369475 1077541623 /nfs/dbraw/zinc/54/16/23/1077541623.db2.gz CRPNDMHZHJVSGP-FQEVSTJZSA-N 1 0 410.518 2.735 20 10 HFCDRO C[C@@]1(O)CCCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000792158434 1077725956 /nfs/dbraw/zinc/72/59/56/1077725956.db2.gz OLHXYECJZMIVHH-HSZRJFAPSA-N 1 0 400.567 2.665 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000792863221 1078010725 /nfs/dbraw/zinc/01/07/25/1078010725.db2.gz KOOGVLUJQLVPAT-UGKGYDQZSA-N 1 0 403.567 2.919 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3[C@@H]3CCCO3)cc2F)CC1 ZINC000806749783 1079966031 /nfs/dbraw/zinc/96/60/31/1079966031.db2.gz FFEWALMYOVQDRP-SFTDATJTSA-N 1 0 404.530 2.821 20 10 HFCDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000806904029 1080110839 /nfs/dbraw/zinc/11/08/39/1080110839.db2.gz VVWIYUYCQMSRMT-UHFFFAOYSA-N 1 0 414.344 2.843 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000807096969 1080274771 /nfs/dbraw/zinc/27/47/71/1080274771.db2.gz MHYYVLZYBDQVDH-VQTJNVASSA-N 1 0 414.594 2.790 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000807096970 1080274799 /nfs/dbraw/zinc/27/47/99/1080274799.db2.gz MHYYVLZYBDQVDH-WOJBJXKFSA-N 1 0 414.594 2.790 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807099831 1080278614 /nfs/dbraw/zinc/27/86/14/1080278614.db2.gz BOYYAOGZTXLIHW-DENIHFKCSA-N 1 0 422.573 2.704 20 10 HFCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807099267 1080279553 /nfs/dbraw/zinc/27/95/53/1080279553.db2.gz POGAXPCHUJRCBZ-QHCPKHFHSA-N 1 0 422.573 2.800 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000807100619 1080280086 /nfs/dbraw/zinc/28/00/86/1080280086.db2.gz LRIFZUBFDXFOEV-FQEVSTJZSA-N 1 0 414.594 2.792 20 10 HFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC001198228492 1126155533 /nfs/dbraw/zinc/15/55/33/1126155533.db2.gz GXMDSDXALFGIGH-HSZRJFAPSA-N 1 0 400.519 2.624 20 10 HFCDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000790539793 1078046085 /nfs/dbraw/zinc/04/60/85/1078046085.db2.gz USHXMGYERDYCAQ-HXUWFJFHSA-N 1 0 406.546 2.706 20 10 HFCDRO C[NH+]1CCN(c2ccc(CN[C@@H](C(N)=O)c3cccc(Br)c3)cc2)CC1 ZINC000793267267 1078114306 /nfs/dbraw/zinc/11/43/06/1078114306.db2.gz TXNPCUAJZPNVEV-LJQANCHMSA-N 1 0 417.351 2.517 20 10 HFCDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000746947756 1078145994 /nfs/dbraw/zinc/14/59/94/1078145994.db2.gz ULSRWSHEYVKMBX-UHFFFAOYSA-N 1 0 406.546 2.803 20 10 HFCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n(C)n1 ZINC000793521321 1078198191 /nfs/dbraw/zinc/19/81/91/1078198191.db2.gz KHMYIFAZZSUBGB-KRWDZBQOSA-N 1 0 409.513 2.835 20 10 HFCDRO COc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl ZINC000793538818 1078206814 /nfs/dbraw/zinc/20/68/14/1078206814.db2.gz COWKZWKEHIPKCK-AWEZNQCLSA-N 1 0 409.939 2.829 20 10 HFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N(C)CC(F)(F)F ZINC000793759368 1078279300 /nfs/dbraw/zinc/27/93/00/1078279300.db2.gz HASBZZDUBVQZNG-INIZCTEOSA-N 1 0 412.500 2.717 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793838643 1078311269 /nfs/dbraw/zinc/31/12/69/1078311269.db2.gz AZNYHBLDZOAKAU-CTNGQTDRSA-N 1 0 422.573 2.958 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000793815653 1078316180 /nfs/dbraw/zinc/31/61/80/1078316180.db2.gz WXLNFIYYLVOCMP-WZONZLPQSA-N 1 0 402.583 2.728 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000793815647 1078316194 /nfs/dbraw/zinc/31/61/94/1078316194.db2.gz WXLNFIYYLVOCMP-FDDCHVKYSA-N 1 0 402.583 2.728 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793932033 1078341992 /nfs/dbraw/zinc/34/19/92/1078341992.db2.gz RJVBDPLUEAVUAU-AVRDEDQJSA-N 1 0 420.557 2.637 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC2CC[NH+](CC)CC2)cc1F ZINC000804852009 1078722835 /nfs/dbraw/zinc/72/28/35/1078722835.db2.gz WSNXAYFLGCIUEH-UHFFFAOYSA-N 1 0 406.546 2.526 20 10 HFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805019729 1078830326 /nfs/dbraw/zinc/83/03/26/1078830326.db2.gz KCWHQRYJYQGFGG-YADHBBJMSA-N 1 0 412.578 2.624 20 10 HFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@@H]1C ZINC000805024092 1078837298 /nfs/dbraw/zinc/83/72/98/1078837298.db2.gz ACYPBHYTVDMHNO-SIKLNZKXSA-N 1 0 414.594 2.870 20 10 HFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805026033 1078839309 /nfs/dbraw/zinc/83/93/09/1078839309.db2.gz ZLUACVNHDURVGI-FQEVSTJZSA-N 1 0 400.567 2.528 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)CCC(C)(C)C)cc2F)CC1 ZINC000805008074 1078853262 /nfs/dbraw/zinc/85/32/62/1078853262.db2.gz ZHFVGQHNLLNTQP-QGZVFWFLSA-N 1 0 420.573 2.915 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196277 1078970745 /nfs/dbraw/zinc/97/07/45/1078970745.db2.gz SMTPXOKYXATQBG-RUZDIDTESA-N 1 0 422.573 2.848 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)C1 ZINC001130210730 1079088085 /nfs/dbraw/zinc/08/80/85/1079088085.db2.gz XYKZBSIFOPIIGQ-FGTMMUONSA-N 1 0 410.562 2.874 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)C1 ZINC001130210733 1079088112 /nfs/dbraw/zinc/08/81/12/1079088112.db2.gz XYKZBSIFOPIIGQ-RCCFBDPRSA-N 1 0 410.562 2.874 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)C1 ZINC001130210731 1079088174 /nfs/dbraw/zinc/08/81/74/1079088174.db2.gz XYKZBSIFOPIIGQ-KZNAEPCWSA-N 1 0 410.562 2.874 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000805635946 1079189105 /nfs/dbraw/zinc/18/91/05/1079189105.db2.gz GKNXGCLCNQOPMG-MSOLQXFVSA-N 1 0 402.583 2.947 20 10 HFCDRO C[C@@H](CO)[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1 ZINC000805752164 1079231245 /nfs/dbraw/zinc/23/12/45/1079231245.db2.gz ZRCUGYPEJGHJAC-RCCFBDPRSA-N 1 0 421.557 2.681 20 10 HFCDRO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000805743092 1079244756 /nfs/dbraw/zinc/24/47/56/1079244756.db2.gz HSGIGIMCOUZEHQ-UHFFFAOYSA-N 1 0 414.594 2.874 20 10 HFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](CCO)c3ccc(Cl)cc3)CC2)cc1 ZINC000805821997 1079293443 /nfs/dbraw/zinc/29/34/43/1079293443.db2.gz NPUKSYDJAHVZTK-OAQYLSRUSA-N 1 0 417.937 2.711 20 10 HFCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000806171324 1079462766 /nfs/dbraw/zinc/46/27/66/1079462766.db2.gz YVOFYESRVZOOMA-SJLPKXTDSA-N 1 0 412.575 2.737 20 10 HFCDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000787306334 1076753906 /nfs/dbraw/zinc/75/39/06/1076753906.db2.gz VYHJYZDQKBSDCG-CEMLEFRQSA-N 1 0 407.624 2.832 20 10 HFCDRO CC[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000787630944 1076884191 /nfs/dbraw/zinc/88/41/91/1076884191.db2.gz FHNGUVLGDOOJJO-QFIPXVFZSA-N 1 0 422.573 2.664 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000787903184 1076988030 /nfs/dbraw/zinc/98/80/30/1076988030.db2.gz KKIFRSOUTWJSSY-IBGZPJMESA-N 1 0 402.583 2.872 20 10 HFCDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CCCO1 ZINC000788360661 1077125539 /nfs/dbraw/zinc/12/55/39/1077125539.db2.gz ZPRIKPDWBGNLJD-WVFSVQOHSA-N 1 0 422.481 2.573 20 10 HFCDRO Cc1cc(O)c(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C ZINC000788529995 1077203791 /nfs/dbraw/zinc/20/37/91/1077203791.db2.gz UQJJDTOJHRLGLJ-FQEVSTJZSA-N 1 0 400.494 2.955 20 10 HFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1 ZINC000788611067 1077207525 /nfs/dbraw/zinc/20/75/25/1077207525.db2.gz FEFTXTXAYIFXQJ-AEFFLSMTSA-N 1 0 416.493 2.908 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC000788565461 1077208126 /nfs/dbraw/zinc/20/81/26/1077208126.db2.gz VOODJPXOGUGUEW-UGKGYDQZSA-N 1 0 412.578 2.815 20 10 HFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000788567832 1077208417 /nfs/dbraw/zinc/20/84/17/1077208417.db2.gz BOIAOHNPWQFITK-GOSISDBHSA-N 1 0 418.582 2.662 20 10 HFCDRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000790955167 1077253684 /nfs/dbraw/zinc/25/36/84/1077253684.db2.gz BZRFYMVRYUACBV-UHFFFAOYSA-N 1 0 402.514 2.554 20 10 HFCDRO C[N@H+](CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000791127922 1077296354 /nfs/dbraw/zinc/29/63/54/1077296354.db2.gz KFDAKUCARFNYII-LJQANCHMSA-N 1 0 400.567 2.659 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000788953166 1077361142 /nfs/dbraw/zinc/36/11/42/1077361142.db2.gz ZFTCNEDRIGEQKO-WMZHIEFXSA-N 1 0 422.573 2.786 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)c3ncccc3F)CC2)cc1 ZINC000791299584 1077361897 /nfs/dbraw/zinc/36/18/97/1077361897.db2.gz BYPFQFZYJQVFPF-QGZVFWFLSA-N 1 0 400.498 2.661 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000788967342 1077365946 /nfs/dbraw/zinc/36/59/46/1077365946.db2.gz XQNMIPMVIRFBGN-NRFANRHFSA-N 1 0 400.567 2.626 20 10 HFCDRO C[C@H]1CCC[C@](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)([NH+](C)C)C1 ZINC000788935761 1077369741 /nfs/dbraw/zinc/36/97/41/1077369741.db2.gz DXYOKHHBACAJGO-MBSDFSHPSA-N 1 0 400.567 2.530 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000791685113 1077527364 /nfs/dbraw/zinc/52/73/64/1077527364.db2.gz MXFADAQRKZCYIH-LJQANCHMSA-N 1 0 424.511 2.719 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789658283 1077722531 /nfs/dbraw/zinc/72/25/31/1077722531.db2.gz FDJNJWWFGJBPTN-QGZVFWFLSA-N 1 0 418.588 2.522 20 10 HFCDRO NC(=O)c1ccccc1CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000792238307 1077759703 /nfs/dbraw/zinc/75/97/03/1077759703.db2.gz OUWHBTBSHQBGAP-SFHVURJKSA-N 1 0 415.921 2.858 20 10 HFCDRO CCC[N@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1O ZINC000772798050 1077900339 /nfs/dbraw/zinc/90/03/39/1077900339.db2.gz NBLYELKOHPFKBX-UHFFFAOYSA-N 1 0 410.518 2.981 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)C1CCCCC1 ZINC000790273802 1077993131 /nfs/dbraw/zinc/99/31/31/1077993131.db2.gz HWQAXYQZGSIHNK-YADHBBJMSA-N 1 0 412.578 2.815 20 10 HFCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000792880613 1078016224 /nfs/dbraw/zinc/01/62/24/1078016224.db2.gz AAUGPDBBMAARRD-UHFFFAOYSA-N 1 0 404.530 2.603 20 10 HFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)[C@H]1C ZINC000792893011 1078018170 /nfs/dbraw/zinc/01/81/70/1078018170.db2.gz JTUSHTLQNGXVSN-CNNODRBYSA-N 1 0 403.567 2.775 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCCCC[C@@H]3CCO)cc2F)C[C@H](C)O1 ZINC000792923633 1078026772 /nfs/dbraw/zinc/02/67/72/1078026772.db2.gz DZIJFAIJKMKJRZ-WSTZPKSXSA-N 1 0 421.557 2.683 20 10 HFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccnn3-c3ccc(F)cc3)CC2)cc1 ZINC000792937652 1078029093 /nfs/dbraw/zinc/02/90/93/1078029093.db2.gz WPOVYCAPLIWVQZ-UHFFFAOYSA-N 1 0 409.509 2.932 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000806787855 1080010178 /nfs/dbraw/zinc/01/01/78/1080010178.db2.gz NTFYRDPKOLTTSY-NRFANRHFSA-N 1 0 400.567 2.624 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807095036 1080273303 /nfs/dbraw/zinc/27/33/03/1080273303.db2.gz IPAXRYXNKRMWNF-RUZDIDTESA-N 1 0 422.573 2.706 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000807095877 1080273599 /nfs/dbraw/zinc/27/35/99/1080273599.db2.gz ASMLGWDWPDTVRC-UHFFFAOYSA-N 1 0 422.573 2.800 20 10 HFCDRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)CC1 ZINC000807290309 1080478822 /nfs/dbraw/zinc/47/88/22/1080478822.db2.gz UAWOEIDYISTHHK-UHFFFAOYSA-N 1 0 424.589 2.838 20 10 HFCDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807292603 1080481825 /nfs/dbraw/zinc/48/18/25/1080481825.db2.gz UWIBBBFKYHOFRM-UHFFFAOYSA-N 1 0 412.578 2.650 20 10 HFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1O ZINC000790757071 1078111684 /nfs/dbraw/zinc/11/16/84/1078111684.db2.gz JBVZEXMQTZLXNO-LBPRGKRZSA-N 1 0 414.321 2.772 20 10 HFCDRO C[NH+]1CCN(c2ccc(CN[C@@H](C(N)=O)c3ccc(Br)cc3)cc2)CC1 ZINC000793265823 1078113745 /nfs/dbraw/zinc/11/37/45/1078113745.db2.gz LZIMOGQUSMCQCF-LJQANCHMSA-N 1 0 417.351 2.517 20 10 HFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790787427 1078134556 /nfs/dbraw/zinc/13/45/56/1078134556.db2.gz FDWGZEZUZUDVLM-FXAWDEMLSA-N 1 0 414.893 2.714 20 10 HFCDRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000793812549 1078314809 /nfs/dbraw/zinc/31/48/09/1078314809.db2.gz DDKRXRKOFHDYCX-UHFFFAOYSA-N 1 0 406.546 2.526 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000793901950 1078333276 /nfs/dbraw/zinc/33/32/76/1078333276.db2.gz PBLJETLAYYKPHU-IRXDYDNUSA-N 1 0 406.546 2.525 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCC[C@@H]3C)cc2F)CC1 ZINC000793945385 1078353971 /nfs/dbraw/zinc/35/39/71/1078353971.db2.gz XVCVKGJJFDWONX-PKOBYXMFSA-N 1 0 418.557 2.526 20 10 HFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000804418648 1078468935 /nfs/dbraw/zinc/46/89/35/1078468935.db2.gz SDBIYBLFFPDRGY-OAQYLSRUSA-N 1 0 400.567 2.530 20 10 HFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001170452251 1078519732 /nfs/dbraw/zinc/51/97/32/1078519732.db2.gz UIGCAVMIYBEUBT-LJQANCHMSA-N 1 0 407.555 2.619 20 10 HFCDRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643841 1078698693 /nfs/dbraw/zinc/69/86/93/1078698693.db2.gz PYVLLRCUZAIQER-DENIHFKCSA-N 1 0 422.573 2.880 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000804852302 1078722322 /nfs/dbraw/zinc/72/23/22/1078722322.db2.gz GIPRUILDBPPRHW-UHFFFAOYSA-N 1 0 420.573 2.869 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)(C)C[NH+](C)C ZINC000805026341 1078838945 /nfs/dbraw/zinc/83/89/45/1078838945.db2.gz KGRDWUOBFBRAHV-SFHVURJKSA-N 1 0 402.583 2.632 20 10 HFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000805023401 1078835490 /nfs/dbraw/zinc/83/54/90/1078835490.db2.gz GVJPVWQSAFODDD-UGKGYDQZSA-N 1 0 414.594 2.728 20 10 HFCDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000805026081 1078839291 /nfs/dbraw/zinc/83/92/91/1078839291.db2.gz BGBDVVUUNQMUJX-UHFFFAOYSA-N 1 0 400.567 2.528 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000805025274 1078838163 /nfs/dbraw/zinc/83/81/63/1078838163.db2.gz MNKIJVARQLUKSX-UHFFFAOYSA-N 1 0 414.594 2.777 20 10 HFCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccsc1 ZINC000787616517 1076880202 /nfs/dbraw/zinc/88/02/02/1076880202.db2.gz NBXKTFQELJNJTA-FQEVSTJZSA-N 1 0 416.591 2.938 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787749055 1076925670 /nfs/dbraw/zinc/92/56/70/1076925670.db2.gz AKWVVCQOIKBGRI-QGZVFWFLSA-N 1 0 418.588 2.695 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000787908461 1076990127 /nfs/dbraw/zinc/99/01/27/1076990127.db2.gz DSQDWPHCBYSGQC-ROUUACIJSA-N 1 0 402.583 2.552 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000787909602 1076990623 /nfs/dbraw/zinc/99/06/23/1076990623.db2.gz ISYDRWUOMVKWJK-OALUTQOASA-N 1 0 402.583 2.585 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000788459942 1077166386 /nfs/dbraw/zinc/16/63/86/1077166386.db2.gz NEJXWNGLEQPMCS-UHFFFAOYSA-N 1 0 410.562 2.868 20 10 HFCDRO O=C([C@@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1cccc(F)c1)N1CCOCC1 ZINC000788529342 1077204108 /nfs/dbraw/zinc/20/41/08/1077204108.db2.gz LJVMITDTIIGHGE-MRXNPFEDSA-N 1 0 406.885 2.992 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC000788565453 1077208117 /nfs/dbraw/zinc/20/81/17/1077208117.db2.gz VOODJPXOGUGUEW-KNQAVFIVSA-N 1 0 412.578 2.815 20 10 HFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000788583111 1077212269 /nfs/dbraw/zinc/21/22/69/1077212269.db2.gz JKRWTJYIGKVRBJ-PZJWPPBQSA-N 1 0 424.545 2.617 20 10 HFCDRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788585018 1077212864 /nfs/dbraw/zinc/21/28/64/1077212864.db2.gz RZTAKMPILZBRSQ-SJLPKXTDSA-N 1 0 409.502 2.922 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000788928588 1077338827 /nfs/dbraw/zinc/33/88/27/1077338827.db2.gz LRZFOTDSXFFZFD-KNQAVFIVSA-N 1 0 412.578 2.624 20 10 HFCDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788909248 1077349257 /nfs/dbraw/zinc/34/92/57/1077349257.db2.gz FEIIGVREEIBLDT-OAQYLSRUSA-N 1 0 400.567 2.674 20 10 HFCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788910359 1077349725 /nfs/dbraw/zinc/34/97/25/1077349725.db2.gz JXYPFCFAIDFPIY-GOSISDBHSA-N 1 0 400.567 2.530 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000788909890 1077350091 /nfs/dbraw/zinc/35/00/91/1077350091.db2.gz ICPXELDVGDWTRG-QFIPXVFZSA-N 1 0 412.578 2.816 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000788953481 1077360907 /nfs/dbraw/zinc/36/09/07/1077360907.db2.gz BJXQFOVVHKWQCV-KNQAVFIVSA-N 1 0 422.573 2.928 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788954890 1077362044 /nfs/dbraw/zinc/36/20/44/1077362044.db2.gz NZALGVBXCWQXME-HSZRJFAPSA-N 1 0 422.573 2.882 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000788965363 1077365287 /nfs/dbraw/zinc/36/52/87/1077365287.db2.gz GLDLPHMUHXZDNL-UHFFFAOYSA-N 1 0 422.573 2.884 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788935795 1077369978 /nfs/dbraw/zinc/36/99/78/1077369978.db2.gz FSDVRMBASFBIMC-KNQAVFIVSA-N 1 0 420.557 2.855 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000788976651 1077381119 /nfs/dbraw/zinc/38/11/19/1077381119.db2.gz GNPRBALQVWRJRX-HSZRJFAPSA-N 1 0 422.573 2.930 20 10 HFCDRO COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000789461026 1077582814 /nfs/dbraw/zinc/58/28/14/1077582814.db2.gz CJBNLLBDQOHALB-ACJLOTCBSA-N 1 0 413.474 2.602 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000792183225 1077737635 /nfs/dbraw/zinc/73/76/35/1077737635.db2.gz GELQCNZVWWUTOS-QGZVFWFLSA-N 1 0 418.559 2.776 20 10 HFCDRO CN(C)c1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c(C(F)(F)F)c1 ZINC000792904484 1078020083 /nfs/dbraw/zinc/02/00/83/1078020083.db2.gz LORRLOVFHHGUAN-UHFFFAOYSA-N 1 0 422.499 2.863 20 10 HFCDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000792930344 1078027876 /nfs/dbraw/zinc/02/78/76/1078027876.db2.gz ZPNSBCKQOFLRGG-UHFFFAOYSA-N 1 0 401.454 2.969 20 10 HFCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000792950191 1078033167 /nfs/dbraw/zinc/03/31/67/1078033167.db2.gz PGSHTIDSLSZNLB-QGZVFWFLSA-N 1 0 417.575 2.855 20 10 HFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806254095 1079522829 /nfs/dbraw/zinc/52/28/29/1079522829.db2.gz ZFJSQSUJQOQNFE-LJQANCHMSA-N 1 0 400.567 2.624 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806278778 1079541909 /nfs/dbraw/zinc/54/19/09/1079541909.db2.gz WUYULWHYQVXDRF-INIZCTEOSA-N 1 0 410.609 2.655 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000806279448 1079542958 /nfs/dbraw/zinc/54/29/58/1079542958.db2.gz ORERYNXDTPDRGM-LSDHHAIUSA-N 1 0 410.609 2.511 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806282915 1079545543 /nfs/dbraw/zinc/54/55/43/1079545543.db2.gz YIWDEJNMGFSXDE-QGZVFWFLSA-N 1 0 418.588 2.522 20 10 HFCDRO C[NH+](C)CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)(C)C ZINC000806391105 1079641020 /nfs/dbraw/zinc/64/10/20/1079641020.db2.gz QRDOROFPPQRYSV-FQEVSTJZSA-N 1 0 415.534 2.997 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806425879 1079671297 /nfs/dbraw/zinc/67/12/97/1079671297.db2.gz RISAQEAKXMQLLZ-OAQYLSRUSA-N 1 0 409.530 2.912 20 10 HFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806457253 1079726840 /nfs/dbraw/zinc/72/68/40/1079726840.db2.gz HLJXKZZLOAQYLP-SJLPKXTDSA-N 1 0 404.530 2.555 20 10 HFCDRO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1Cl ZINC000807107578 1080285728 /nfs/dbraw/zinc/28/57/28/1080285728.db2.gz IAUULSKPAOVLCM-CYBMUJFWSA-N 1 0 423.300 2.587 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000807363182 1080524186 /nfs/dbraw/zinc/52/41/86/1080524186.db2.gz XSQRIOITHWKZBT-VCSGRIEYSA-N 1 0 400.567 2.621 20 10 HFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccc(OC(F)F)cc3)C(=O)[O-])cc2)CC1 ZINC001320732388 1126169115 /nfs/dbraw/zinc/16/91/15/1126169115.db2.gz FIQCSVPEAULIAN-HXUWFJFHSA-N 1 0 419.472 2.825 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC(C)(C)[C@H]3c3cccnc3)CC2)cc1 ZINC000793000144 1078045063 /nfs/dbraw/zinc/04/50/63/1078045063.db2.gz TYJBFQPCGVJWSG-JTHBVZDNSA-N 1 0 410.562 2.656 20 10 HFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000793043054 1078054688 /nfs/dbraw/zinc/05/46/88/1078054688.db2.gz VHUOCPYYDDPCLQ-YOEHRIQHSA-N 1 0 406.470 2.597 20 10 HFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000793043042 1078054773 /nfs/dbraw/zinc/05/47/73/1078054773.db2.gz VHUOCPYYDDPCLQ-RHSMWYFYSA-N 1 0 406.470 2.597 20 10 HFCDRO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cc4c(cc3O)OCO4)c2)C1=O ZINC000790609167 1078074563 /nfs/dbraw/zinc/07/45/63/1078074563.db2.gz JMGFIECIIVBQTF-JOCHJYFZSA-N 1 0 409.442 2.636 20 10 HFCDRO CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2)C1=O ZINC000793345724 1078132291 /nfs/dbraw/zinc/13/22/91/1078132291.db2.gz FDAWFPRATSCKGO-NRFANRHFSA-N 1 0 407.518 2.885 20 10 HFCDRO COc1c[nH+]ccc1N1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000793370834 1078151561 /nfs/dbraw/zinc/15/15/61/1078151561.db2.gz RXXOKZUOKPTIPK-UHFFFAOYSA-N 1 0 408.296 2.889 20 10 HFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1COCCN1C1CCCC1 ZINC000793687764 1078257232 /nfs/dbraw/zinc/25/72/32/1078257232.db2.gz BPZRTKYWGXXPGN-UYAOXDASSA-N 1 0 421.969 2.770 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000793838824 1078311321 /nfs/dbraw/zinc/31/13/21/1078311321.db2.gz MDKOCMDHJLZXEU-UHFFFAOYSA-N 1 0 422.573 2.884 20 10 HFCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000793850330 1078323026 /nfs/dbraw/zinc/32/30/26/1078323026.db2.gz WVNRSXVCKLIHJP-LPHOPBHVSA-N 1 0 400.523 2.722 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000793868378 1078328215 /nfs/dbraw/zinc/32/82/15/1078328215.db2.gz ODFMXWVEGCACRQ-UHFFFAOYSA-N 1 0 410.562 2.869 20 10 HFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901241 1078332769 /nfs/dbraw/zinc/33/27/69/1078332769.db2.gz LULMZICZZDWYSW-PMACEKPBSA-N 1 0 414.594 2.776 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[N@H+](C)C1CC1 ZINC000804430188 1078474891 /nfs/dbraw/zinc/47/48/91/1078474891.db2.gz WYHVGHUJMSNWBV-CVEARBPZSA-N 1 0 420.985 2.791 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000804852282 1078722346 /nfs/dbraw/zinc/72/23/46/1078722346.db2.gz GAXUJOYKEXQQDT-DLBZAZTESA-N 1 0 406.546 2.525 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000804853280 1078724183 /nfs/dbraw/zinc/72/41/83/1078724183.db2.gz VRQGGNMOOJCDDM-UHFFFAOYSA-N 1 0 418.557 2.623 20 10 HFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805022916 1078833053 /nfs/dbraw/zinc/83/30/53/1078833053.db2.gz IGNOIGFSKBFPND-OAQYLSRUSA-N 1 0 414.594 2.920 20 10 HFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@H]1C ZINC000805024090 1078837170 /nfs/dbraw/zinc/83/71/70/1078837170.db2.gz ACYPBHYTVDMHNO-DENIHFKCSA-N 1 0 414.594 2.870 20 10 HFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805026034 1078839318 /nfs/dbraw/zinc/83/93/18/1078839318.db2.gz ZLUACVNHDURVGI-HXUWFJFHSA-N 1 0 400.567 2.528 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3C[C@@H](C)C[C@H](C)C3)cc2F)CC1 ZINC000805006712 1078850709 /nfs/dbraw/zinc/85/07/09/1078850709.db2.gz CHBBYVRNCHFFQN-IRXDYDNUSA-N 1 0 418.557 2.525 20 10 HFCDRO CC[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000805007433 1078852205 /nfs/dbraw/zinc/85/22/05/1078852205.db2.gz LPCPRTGHTMIWID-MJGOQNOKSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000805007431 1078852464 /nfs/dbraw/zinc/85/24/64/1078852464.db2.gz LPCPRTGHTMIWID-HKUYNNGSSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H](C)CC3)cc2F)CC1 ZINC000805008059 1078853159 /nfs/dbraw/zinc/85/31/59/1078853159.db2.gz ZEICYALFUDZXRQ-IEBWSBKVSA-N 1 0 418.557 2.669 20 10 HFCDRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000805308443 1078995576 /nfs/dbraw/zinc/99/55/76/1078995576.db2.gz FHQDXCVTWIBQPZ-SFHVURJKSA-N 1 0 406.571 2.582 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000805637591 1079190164 /nfs/dbraw/zinc/19/01/64/1079190164.db2.gz VJHSZTUTLWZUII-SFHVURJKSA-N 1 0 402.583 2.694 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cc(C)cc(F)c3)cc2F)CC1 ZINC000747267236 1079248928 /nfs/dbraw/zinc/24/89/28/1079248928.db2.gz IGNLWCCGBHXXTH-UHFFFAOYSA-N 1 0 409.502 2.894 20 10 HFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000805769052 1079270908 /nfs/dbraw/zinc/27/09/08/1079270908.db2.gz RDWCOUGJMGOYKQ-AOMKIAJQSA-N 1 0 417.509 2.959 20 10 HFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2Cl)C1 ZINC000806042845 1079411591 /nfs/dbraw/zinc/41/15/91/1079411591.db2.gz VFLHOQJGAGBSNI-NUJGCVRESA-N 1 0 420.985 2.791 20 10 HFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000806128088 1079457577 /nfs/dbraw/zinc/45/75/77/1079457577.db2.gz NUXJAAOHNNEOFM-APWZRJJASA-N 1 0 401.473 2.907 20 10 HFCDRO CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787617960 1076880605 /nfs/dbraw/zinc/88/06/05/1076880605.db2.gz WCBSYQHKWXNCSA-OAQYLSRUSA-N 1 0 402.583 2.584 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000787636798 1076891308 /nfs/dbraw/zinc/89/13/08/1076891308.db2.gz ITDPCXBYORPNLK-IBGZPJMESA-N 1 0 401.482 2.689 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000787668474 1076904909 /nfs/dbraw/zinc/90/49/09/1076904909.db2.gz FLRKRENIHUYXMU-UHFFFAOYSA-N 1 0 402.583 2.872 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787707719 1076920417 /nfs/dbraw/zinc/92/04/17/1076920417.db2.gz RMEMRBWNWFJYOS-KDURUIRLSA-N 1 0 402.583 2.633 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787908456 1076990026 /nfs/dbraw/zinc/99/00/26/1076990026.db2.gz DSQDWPHCBYSGQC-HDICACEKSA-N 1 0 402.583 2.552 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000787909046 1076991306 /nfs/dbraw/zinc/99/13/06/1076991306.db2.gz HMABQWRDKXZOSC-BGYRXZFFSA-N 1 0 414.594 2.777 20 10 HFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000788541542 1077194681 /nfs/dbraw/zinc/19/46/81/1077194681.db2.gz DZMCWUWBKNYCJM-DOTOQJQBSA-N 1 0 420.497 2.987 20 10 HFCDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000746758240 1077263367 /nfs/dbraw/zinc/26/33/67/1077263367.db2.gz UUWWDBVOFVMIGW-SIKLNZKXSA-N 1 0 418.582 2.727 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000788909885 1077350070 /nfs/dbraw/zinc/35/00/70/1077350070.db2.gz ICPXELDVGDWTRG-JOCHJYFZSA-N 1 0 412.578 2.816 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000788952466 1077360345 /nfs/dbraw/zinc/36/03/45/1077360345.db2.gz VPLYCJKRNKTRHR-UHFFFAOYSA-N 1 0 402.583 2.728 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000788953576 1077360947 /nfs/dbraw/zinc/36/09/47/1077360947.db2.gz CXKCYVYDRIFILC-FQEVSTJZSA-N 1 0 400.567 2.626 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000788975458 1077380810 /nfs/dbraw/zinc/38/08/10/1077380810.db2.gz OUAZHGPEJIRAFQ-UYAOXDASSA-N 1 0 414.594 2.918 20 10 HFCDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cccc21 ZINC000789552081 1077641348 /nfs/dbraw/zinc/64/13/48/1077641348.db2.gz GFROZKCMXSGVKR-HXUWFJFHSA-N 1 0 423.513 2.911 20 10 HFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000772799391 1077902877 /nfs/dbraw/zinc/90/28/77/1077902877.db2.gz ZBAWGZABBSKRPK-NSHDSACASA-N 1 0 400.317 2.989 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCCSC3)CC2)cc1 ZINC000806333460 1079605074 /nfs/dbraw/zinc/60/50/74/1079605074.db2.gz JNIXRKZPJFIARO-GOSISDBHSA-N 1 0 406.596 2.650 20 10 HFCDRO C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806510936 1079787903 /nfs/dbraw/zinc/78/79/03/1079787903.db2.gz BNSHEQRWPLYFKU-WMZHIEFXSA-N 1 0 408.546 2.985 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cc4ccccn4n3)CC2)cc1 ZINC000806648852 1079865799 /nfs/dbraw/zinc/86/57/99/1079865799.db2.gz LWHRBDWQTFAAEJ-UHFFFAOYSA-N 1 0 408.506 2.677 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3noc4c3CCCC4)cc2F)CC1 ZINC000806750811 1079967349 /nfs/dbraw/zinc/96/73/49/1079967349.db2.gz ZOUUNNPNTNHTSS-UHFFFAOYSA-N 1 0 415.513 2.834 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1cccc2c1CNC2=O ZINC000806754104 1079970946 /nfs/dbraw/zinc/97/09/46/1079970946.db2.gz HYVWVRLFXSAWDI-UHFFFAOYSA-N 1 0 419.529 2.784 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(C4CC4)c(C)cc3=O)cc2F)CC1 ZINC000806809413 1080023982 /nfs/dbraw/zinc/02/39/82/1080023982.db2.gz DSPQFJVJGGMOFW-UHFFFAOYSA-N 1 0 412.509 2.703 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807099834 1080278472 /nfs/dbraw/zinc/27/84/72/1080278472.db2.gz BOYYAOGZTXLIHW-SIKLNZKXSA-N 1 0 422.573 2.704 20 10 HFCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807100701 1080280002 /nfs/dbraw/zinc/28/00/02/1080280002.db2.gz NGQCBTZTWWUYRX-UHFFFAOYSA-N 1 0 410.562 2.788 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCN(CC(F)F)CC1 ZINC000807184182 1080379381 /nfs/dbraw/zinc/37/93/81/1080379381.db2.gz MLEIYPSGKRYDSP-UHFFFAOYSA-N 1 0 420.548 2.812 20 10 HFCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807286805 1080449612 /nfs/dbraw/zinc/44/96/12/1080449612.db2.gz AJGQFSZENVJWKU-UNMCSNQZSA-N 1 0 424.589 2.792 20 10 HFCDRO CN(C)c1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1 ZINC000793044494 1078054729 /nfs/dbraw/zinc/05/47/29/1078054729.db2.gz ZBKQCGMRENQBQL-UHFFFAOYSA-N 1 0 401.454 2.751 20 10 HFCDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)nn1 ZINC000793074268 1078063032 /nfs/dbraw/zinc/06/30/32/1078063032.db2.gz FDOJKLYEWXZAAS-UHFFFAOYSA-N 1 0 411.428 2.987 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(C)(C)C)C3)cc2F)CC1 ZINC000790719528 1078108351 /nfs/dbraw/zinc/10/83/51/1078108351.db2.gz ULEHLMBPSCXQMN-FQEVSTJZSA-N 1 0 406.546 2.924 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+]1CCCCC1 ZINC000793710740 1078260533 /nfs/dbraw/zinc/26/05/33/1078260533.db2.gz UDGWODAFQDVAEU-LJQANCHMSA-N 1 0 400.567 2.530 20 10 HFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000793795526 1078299767 /nfs/dbraw/zinc/29/97/67/1078299767.db2.gz QVISHHOSKSTVDB-GOSISDBHSA-N 1 0 402.583 2.918 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793838613 1078310852 /nfs/dbraw/zinc/31/08/52/1078310852.db2.gz ASEQNARNBIGBNT-NRFANRHFSA-N 1 0 422.573 2.706 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793932394 1078341793 /nfs/dbraw/zinc/34/17/93/1078341793.db2.gz SMCPEFQKZSNWTH-RXVVDRJESA-N 1 0 408.546 2.663 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(=O)N2CCCC2)C1 ZINC000794397363 1078435619 /nfs/dbraw/zinc/43/56/19/1078435619.db2.gz CBJNDAYNSLMFCF-UHFFFAOYSA-N 1 0 410.562 2.925 20 10 HFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000804418647 1078468867 /nfs/dbraw/zinc/46/88/67/1078468867.db2.gz SDBIYBLFFPDRGY-NRFANRHFSA-N 1 0 400.567 2.530 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000804853083 1078724811 /nfs/dbraw/zinc/72/48/11/1078724811.db2.gz STWVGDDUMNBMDB-LJQANCHMSA-N 1 0 418.557 2.765 20 10 HFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805020202 1078832121 /nfs/dbraw/zinc/83/21/21/1078832121.db2.gz PUFVVGCHWQUBJB-NRFANRHFSA-N 1 0 414.594 2.633 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C3CC3)C3CCCC3)cc2F)CC1 ZINC000805007274 1078852301 /nfs/dbraw/zinc/85/23/01/1078852301.db2.gz PDPQAUOQBBRDTC-UHFFFAOYSA-N 1 0 416.541 2.517 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(CN(CC[NH+]1CCCCCC1)C1CCC1)cc2=O ZINC000805790598 1079256551 /nfs/dbraw/zinc/25/65/51/1079256551.db2.gz BPSSYVSTMBNSRB-UHFFFAOYSA-N 1 0 415.538 2.842 20 10 HFCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccsc1 ZINC000787613622 1076879193 /nfs/dbraw/zinc/87/91/93/1076879193.db2.gz ATZKZAUCOLQIRZ-IBGZPJMESA-N 1 0 420.554 2.769 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000787705294 1076919158 /nfs/dbraw/zinc/91/91/58/1076919158.db2.gz JUIPAXJHQASAIT-KDURUIRLSA-N 1 0 414.594 2.728 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787749035 1076925629 /nfs/dbraw/zinc/92/56/29/1076925629.db2.gz AKBSCVOAUTVARF-JOCHJYFZSA-N 1 0 408.546 2.631 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787749053 1076925719 /nfs/dbraw/zinc/92/57/19/1076925719.db2.gz AKWVVCQOIKBGRI-KRWDZBQOSA-N 1 0 418.588 2.695 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000787753793 1076928033 /nfs/dbraw/zinc/92/80/33/1076928033.db2.gz DHBKBWJFWJKULP-JOCHJYFZSA-N 1 0 408.546 2.664 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4nccnc4c3)CC2)cc1 ZINC000787899064 1077003961 /nfs/dbraw/zinc/00/39/61/1077003961.db2.gz NHEJMYDCROJLAF-UHFFFAOYSA-N 1 0 405.502 2.581 20 10 HFCDRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000788464023 1077167962 /nfs/dbraw/zinc/16/79/62/1077167962.db2.gz MBHVMUHSUCLTAX-UHFFFAOYSA-N 1 0 421.497 2.892 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCN[C@H](c3cn[nH]n3)c3ccc(F)cc3)CC2)cc1 ZINC000788505959 1077185568 /nfs/dbraw/zinc/18/55/68/1077185568.db2.gz LFSROUSQJDJVNJ-QHCPKHFHSA-N 1 0 424.524 2.844 20 10 HFCDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000746761849 1077281000 /nfs/dbraw/zinc/28/10/00/1077281000.db2.gz PCXLXZWYTWEEES-JOCHJYFZSA-N 1 0 418.582 2.806 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3(SC)CCC3)CC2)cc1 ZINC000788858108 1077335853 /nfs/dbraw/zinc/33/58/53/1077335853.db2.gz ZFQHNJLQTSSTHY-UHFFFAOYSA-N 1 0 406.596 2.792 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788928564 1077338721 /nfs/dbraw/zinc/33/87/21/1077338721.db2.gz AKQOXYAKBBAMJN-OALUTQOASA-N 1 0 414.594 2.776 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000788928591 1077338805 /nfs/dbraw/zinc/33/88/05/1077338805.db2.gz LRZFOTDSXFFZFD-UGKGYDQZSA-N 1 0 412.578 2.624 20 10 HFCDRO CCC(CC)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCCC1 ZINC000788935780 1077370067 /nfs/dbraw/zinc/37/00/67/1077370067.db2.gz FHOLESVTCZNNRM-JOCHJYFZSA-N 1 0 414.594 2.920 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000788976661 1077381022 /nfs/dbraw/zinc/38/10/22/1077381022.db2.gz GNPRBALQVWRJRX-QHCPKHFHSA-N 1 0 422.573 2.930 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791623594 1077491321 /nfs/dbraw/zinc/49/13/21/1077491321.db2.gz NVSAZURVGKODKV-ZRZAMGCNSA-N 1 0 406.574 2.775 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)O[C@@H](C4CC4)C3)cc2F)CC1 ZINC000792072772 1077679433 /nfs/dbraw/zinc/67/94/33/1077679433.db2.gz AEBQZOCRSFAVNW-IIBYNOLFSA-N 1 0 404.530 2.677 20 10 HFCDRO CC(C)[NH+]1CCN(CCCOC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000792133251 1077717931 /nfs/dbraw/zinc/71/79/31/1077717931.db2.gz IRASHSAKMDMWNN-UHFFFAOYSA-N 1 0 402.564 2.889 20 10 HFCDRO CS(=O)(=O)N(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Cc1ccccc1 ZINC000792249606 1077764790 /nfs/dbraw/zinc/76/47/90/1077764790.db2.gz MQXHMKPPNIYLNH-OAQYLSRUSA-N 1 0 418.559 2.835 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC000792305564 1077797683 /nfs/dbraw/zinc/79/76/83/1077797683.db2.gz ADYBRUUJTQJYRU-JOCHJYFZSA-N 1 0 415.965 2.890 20 10 HFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772799000 1077904329 /nfs/dbraw/zinc/90/43/29/1077904329.db2.gz VNCCWPDLGTWMLO-JKSUJKDBSA-N 1 0 419.547 2.518 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCSCC[C@@H]3C)CC2)cc1 ZINC000790126475 1077959509 /nfs/dbraw/zinc/95/95/09/1077959509.db2.gz VKZVUULWISIKAI-SFHVURJKSA-N 1 0 406.596 2.744 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000790188958 1077966811 /nfs/dbraw/zinc/96/68/11/1077966811.db2.gz JYANAFDFTHVQJG-IBGZPJMESA-N 1 0 414.594 2.920 20 10 HFCDRO O=S(=O)(CCC(F)(F)F)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000790247905 1077976209 /nfs/dbraw/zinc/97/62/09/1077976209.db2.gz CAGIQFDCLNVRGW-UHFFFAOYSA-N 1 0 405.486 2.590 20 10 HFCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c(C(F)(F)F)c1 ZINC000792940307 1078022171 /nfs/dbraw/zinc/02/21/71/1078022171.db2.gz QDBTYNXJQVISOV-UHFFFAOYSA-N 1 0 415.481 2.981 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CC[C@]4(C3)CCCOC4)cc2F)C[C@H](C)O1 ZINC000792940759 1078022351 /nfs/dbraw/zinc/02/23/51/1078022351.db2.gz PVQKZZYOYWJINU-IXFSTUDKSA-N 1 0 419.541 2.558 20 10 HFCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436439 1078030471 /nfs/dbraw/zinc/03/04/71/1078030471.db2.gz YLZLWLWGXZTUIO-JPLJXNOCSA-N 1 0 421.557 2.681 20 10 HFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806254093 1079522099 /nfs/dbraw/zinc/52/20/99/1079522099.db2.gz ZFJSQSUJQOQNFE-IBGZPJMESA-N 1 0 400.567 2.624 20 10 HFCDRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCCCSc3nccs3)CC2)CC1 ZINC000806278606 1079541928 /nfs/dbraw/zinc/54/19/28/1079541928.db2.gz UXJXUPHNYLBIRI-UHFFFAOYSA-N 1 0 424.636 2.901 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000806279384 1079543586 /nfs/dbraw/zinc/54/35/86/1079543586.db2.gz MLDKPJNGGHSLEI-UHFFFAOYSA-N 1 0 410.609 2.655 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnc(C(C)(C)C)nc3)CC2)cc1 ZINC000806321135 1079591865 /nfs/dbraw/zinc/59/18/65/1079591865.db2.gz QQPDSZJZALDDPT-UHFFFAOYSA-N 1 0 411.550 2.725 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@@H]3[C@@H]3CCCO3)CC2)cc1 ZINC000806334395 1079606383 /nfs/dbraw/zinc/60/63/83/1079606383.db2.gz NMMRCYPHIZWCOH-YADHBBJMSA-N 1 0 416.566 2.560 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806423599 1079668598 /nfs/dbraw/zinc/66/85/98/1079668598.db2.gz BPUBNERXPCJGQY-HSZRJFAPSA-N 1 0 422.573 2.882 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCCC[C@@H]3CCO)cc2F)CC1 ZINC000806749906 1079966036 /nfs/dbraw/zinc/96/60/36/1079966036.db2.gz IBWNBTYJVRKUPP-LJQANCHMSA-N 1 0 406.546 2.804 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1)C1CCCCC1 ZINC000807024676 1080219492 /nfs/dbraw/zinc/21/94/92/1080219492.db2.gz NCYACIDWSHORRX-UHFFFAOYSA-N 1 0 400.567 2.672 20 10 HFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000807062694 1080244024 /nfs/dbraw/zinc/24/40/24/1080244024.db2.gz JCGWSGJWJUKZBW-VQPDEGQRSA-N 1 0 424.589 2.783 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807099357 1080279075 /nfs/dbraw/zinc/27/90/75/1080279075.db2.gz SUUOUEDMYVZQHM-AUSIDOKSSA-N 1 0 422.573 2.704 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807113373 1080290997 /nfs/dbraw/zinc/29/09/97/1080290997.db2.gz CXPTXQZOMVFYAO-MSYCTHLASA-N 1 0 422.573 2.957 20 10 HFCDRO C[C@H](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000807291926 1080479315 /nfs/dbraw/zinc/47/93/15/1080479315.db2.gz JZMVMFVXGREDSF-HXUWFJFHSA-N 1 0 420.557 2.706 20 10 HFCDRO CCC(CC)[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCCC1 ZINC000807291640 1080479599 /nfs/dbraw/zinc/47/95/99/1080479599.db2.gz GHROLDXSOIELMG-QFIPXVFZSA-N 1 0 412.578 2.696 20 10 HFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(C(F)(F)F)c1 ZINC000793184451 1078095986 /nfs/dbraw/zinc/09/59/86/1078095986.db2.gz DJKQZIJMKAXSLN-UHFFFAOYSA-N 1 0 416.465 2.827 20 10 HFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1O ZINC000790757065 1078111699 /nfs/dbraw/zinc/11/16/99/1078111699.db2.gz JBVZEXMQTZLXNO-GFCCVEGCSA-N 1 0 414.321 2.772 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000793838006 1078311121 /nfs/dbraw/zinc/31/11/21/1078311121.db2.gz GKVXZYFQNRHKDA-UHFFFAOYSA-N 1 0 410.562 2.738 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793840038 1078311728 /nfs/dbraw/zinc/31/17/28/1078311728.db2.gz GTNXWVQBDBJEAH-QFIPXVFZSA-N 1 0 422.573 2.739 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793930781 1078341502 /nfs/dbraw/zinc/34/15/02/1078341502.db2.gz LHKUXSFQXZAJLO-RXVVDRJESA-N 1 0 408.546 2.629 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000793915592 1078337031 /nfs/dbraw/zinc/33/70/31/1078337031.db2.gz ZMQGCNRVBIDYGV-GOSISDBHSA-N 1 0 402.583 2.728 20 10 HFCDRO COc1ccc(N2CC[NH+](CCNc3ncnc4sc([N+](=O)[O-])cc43)CC2)cc1 ZINC000804387524 1078446690 /nfs/dbraw/zinc/44/66/90/1078446690.db2.gz CYZHGLZNQBANEG-UHFFFAOYSA-N 1 0 414.491 2.842 20 10 HFCDRO Nc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(CO)c1[N+](=O)[O-] ZINC000804588194 1078621625 /nfs/dbraw/zinc/62/16/25/1078621625.db2.gz PGJGMKWBWCMVMM-UHFFFAOYSA-N 1 0 411.506 2.813 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1F ZINC000804852287 1078722401 /nfs/dbraw/zinc/72/24/01/1078722401.db2.gz GECGZZBFOOIYCN-AEFFLSMTSA-N 1 0 406.546 2.619 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000805024947 1078836194 /nfs/dbraw/zinc/83/61/94/1078836194.db2.gz XWMXMCLVNBPQET-TZIWHRDSSA-N 1 0 400.567 2.528 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000805025980 1078837589 /nfs/dbraw/zinc/83/75/89/1078837589.db2.gz YHUGIIFBWZSNFQ-QFIPXVFZSA-N 1 0 412.578 2.626 20 10 HFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000806128090 1079457669 /nfs/dbraw/zinc/45/76/69/1079457669.db2.gz NUXJAAOHNNEOFM-QFBILLFUSA-N 1 0 401.473 2.907 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000787628071 1076883208 /nfs/dbraw/zinc/88/32/08/1076883208.db2.gz TZPVAOPSLKJFRD-UHFFFAOYSA-N 1 0 422.573 2.664 20 10 HFCDRO CC[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[N@@H+]1CCc2ccccc2C1 ZINC000787630997 1076884104 /nfs/dbraw/zinc/88/41/04/1076884104.db2.gz GHFOFDJOAAYGDY-QFIPXVFZSA-N 1 0 422.573 2.630 20 10 HFCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc21 ZINC000787762248 1076930273 /nfs/dbraw/zinc/93/02/73/1076930273.db2.gz VNKRLBATKVAZSB-QFIPXVFZSA-N 1 0 420.557 2.639 20 10 HFCDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000787913591 1076992716 /nfs/dbraw/zinc/99/27/16/1076992716.db2.gz WBJKNVTZNYGUED-LJQANCHMSA-N 1 0 400.567 2.531 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC3CCCCC3)cc2F)CC1 ZINC000788438666 1077147016 /nfs/dbraw/zinc/14/70/16/1077147016.db2.gz FIKODMLRZIPIBZ-UHFFFAOYSA-N 1 0 418.557 2.670 20 10 HFCDRO c1nc([C@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2cccnc2)n[nH]1 ZINC000788690457 1077251789 /nfs/dbraw/zinc/25/17/89/1077251789.db2.gz JOTXRCYQOQFCNZ-JOCHJYFZSA-N 1 0 403.534 2.611 20 10 HFCDRO COc1ccc(N2CCN(CCNC(=O)CC[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000791127315 1077295629 /nfs/dbraw/zinc/29/56/29/1077295629.db2.gz CWHVFAGWYSPAPY-UHFFFAOYSA-N 1 0 402.583 2.588 20 10 HFCDRO O=C(NCCOC(F)(F)F)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000788822426 1077308977 /nfs/dbraw/zinc/30/89/77/1077308977.db2.gz BRVDPEFPOQKSKK-UHFFFAOYSA-N 1 0 400.445 2.554 20 10 HFCDRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788910541 1077349577 /nfs/dbraw/zinc/34/95/77/1077349577.db2.gz LYLDCIWXTOSMSB-UHFFFAOYSA-N 1 0 400.567 2.675 20 10 HFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(Br)c3)CC1)[C@@H](O)CO2 ZINC000789544789 1077637023 /nfs/dbraw/zinc/63/70/23/1077637023.db2.gz CZDYKBLXJGBXJQ-SFHVURJKSA-N 1 0 405.292 2.903 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000789657556 1077723325 /nfs/dbraw/zinc/72/33/25/1077723325.db2.gz AJCSTXXASIJJMV-RXVVDRJESA-N 1 0 408.546 2.711 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000790188971 1077966837 /nfs/dbraw/zinc/96/68/37/1077966837.db2.gz 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HFCDRO O=C(NCCCSc1nccs1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000806276455 1079539744 /nfs/dbraw/zinc/53/97/44/1079539744.db2.gz DSYHBAZKGWUYIG-UHFFFAOYSA-N 1 0 424.636 2.856 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000806277655 1079540375 /nfs/dbraw/zinc/54/03/75/1079540375.db2.gz HLPCOCQEEOWEEH-UHFFFAOYSA-N 1 0 424.636 2.856 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806277424 1079540889 /nfs/dbraw/zinc/54/08/89/1079540889.db2.gz BRDFTNAAIGMXPJ-UHFFFAOYSA-N 1 0 410.609 2.655 20 10 HFCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000806280045 1079542511 /nfs/dbraw/zinc/54/25/11/1079542511.db2.gz IJISUBUJVPQDFC-NVXWUHKLSA-N 1 0 418.588 2.521 20 10 HFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806457254 1079726882 /nfs/dbraw/zinc/72/68/82/1079726882.db2.gz HLJXKZZLOAQYLP-WMZOPIPTSA-N 1 0 404.530 2.555 20 10 HFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806457094 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ZNCZEXJHQAYMQV-UHFFFAOYSA-N 1 0 412.578 2.768 20 10 HFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC001474258359 1126204079 /nfs/dbraw/zinc/20/40/79/1126204079.db2.gz VXUBRUZOORDXKP-QHCPKHFHSA-N 1 0 418.509 2.763 20 10 HFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c(C(F)(F)F)c1 ZINC000793072264 1078062771 /nfs/dbraw/zinc/06/27/71/1078062771.db2.gz DHMXVFWHOABQHK-QGZVFWFLSA-N 1 0 409.456 2.786 20 10 HFCDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000793028633 1078059243 /nfs/dbraw/zinc/05/92/43/1078059243.db2.gz XIBUMPQCAWLZBC-UHFFFAOYSA-N 1 0 407.483 2.901 20 10 HFCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCO2)Nc1ccc(I)cc1 ZINC000790609883 1078074620 /nfs/dbraw/zinc/07/46/20/1078074620.db2.gz QDCSWHACCXIACV-UHFFFAOYSA-N 1 0 408.239 2.954 20 10 HFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1COCCN1C1CCCC1 ZINC000793687759 1078257167 /nfs/dbraw/zinc/25/71/67/1078257167.db2.gz BPZRTKYWGXXPGN-AZUAARDMSA-N 1 0 421.969 2.770 20 10 HFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905261 1078333817 /nfs/dbraw/zinc/33/38/17/1078333817.db2.gz ZYRSLXZCMNVFFN-ZWKOTPCHSA-N 1 0 413.518 2.751 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000793945442 1078353981 /nfs/dbraw/zinc/35/39/81/1078353981.db2.gz YEKLNIDSUDQSFX-MSOLQXFVSA-N 1 0 418.557 2.526 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[N@H+](C)C1CC1 ZINC000804430191 1078474924 /nfs/dbraw/zinc/47/49/24/1078474924.db2.gz WYHVGHUJMSNWBV-JKSUJKDBSA-N 1 0 420.985 2.791 20 10 HFCDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3cc(Br)ccc3O)cc2)CC1 ZINC000804736515 1078594826 /nfs/dbraw/zinc/59/48/26/1078594826.db2.gz WOMBGSQSIJHGPP-UHFFFAOYSA-N 1 0 418.335 2.832 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804644240 1078698280 /nfs/dbraw/zinc/69/82/80/1078698280.db2.gz ZPCMZWKXIVGENP-SIKLNZKXSA-N 1 0 422.573 2.847 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000804851456 1078720831 /nfs/dbraw/zinc/72/08/31/1078720831.db2.gz CNLRXWLZLRTQNT-UHFFFAOYSA-N 1 0 420.573 2.867 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000804852135 1078722485 /nfs/dbraw/zinc/72/24/85/1078722485.db2.gz AGDSTQBCUZQGCQ-IBGZPJMESA-N 1 0 418.557 2.765 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000805026540 1078838915 /nfs/dbraw/zinc/83/89/15/1078838915.db2.gz RGZQQFMFAZCNOU-NRFANRHFSA-N 1 0 414.594 2.872 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)cc2)CC1 ZINC000805025661 1078837565 /nfs/dbraw/zinc/83/75/65/1078837565.db2.gz STSZLXFNHYYXDS-OAQYLSRUSA-N 1 0 414.594 2.776 20 10 HFCDRO CCOC1CC([N@H+](C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000805820654 1079292047 /nfs/dbraw/zinc/29/20/47/1079292047.db2.gz SXRANECSYFJMQJ-XYCLOBBJSA-N 1 0 407.530 2.555 20 10 HFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2Cl)C1 ZINC000806042846 1079411634 /nfs/dbraw/zinc/41/16/34/1079411634.db2.gz VFLHOQJGAGBSNI-RYRKJORJSA-N 1 0 420.985 2.791 20 10 HFCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)CC1 ZINC000787318087 1076760593 /nfs/dbraw/zinc/76/05/93/1076760593.db2.gz CBRUXEXAJSORFY-OAQYLSRUSA-N 1 0 412.578 2.626 20 10 HFCDRO C[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000787322450 1076765584 /nfs/dbraw/zinc/76/55/84/1076765584.db2.gz KHQLQHQVSYZSRB-GHTZIAJQSA-N 1 0 412.578 2.530 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000787625544 1076882769 /nfs/dbraw/zinc/88/27/69/1076882769.db2.gz HXWVMNGUEVYNNB-GOSISDBHSA-N 1 0 422.573 2.883 20 10 HFCDRO CC[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000787630491 1076884377 /nfs/dbraw/zinc/88/43/77/1076884377.db2.gz AZLVZCKEPMUBNJ-AVRDEDQJSA-N 1 0 422.573 2.883 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000787708143 1076920726 /nfs/dbraw/zinc/92/07/26/1076920726.db2.gz RSBZPCBEWHZVMZ-WOJBJXKFSA-N 1 0 416.610 2.974 20 10 HFCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)ccc21 ZINC000787762247 1076930234 /nfs/dbraw/zinc/93/02/34/1076930234.db2.gz VNKRLBATKVAZSB-JOCHJYFZSA-N 1 0 420.557 2.639 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1C[C@H](OCC)C13CCCCC3)cc2=O ZINC000787994684 1077021397 /nfs/dbraw/zinc/02/13/97/1077021397.db2.gz FARUZWWGJBLMFJ-SJORKVTESA-N 1 0 402.495 2.829 20 10 HFCDRO CCC(O)(CC)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000788121154 1077059510 /nfs/dbraw/zinc/05/95/10/1077059510.db2.gz YGVZPCLNODSEGA-UHFFFAOYSA-N 1 0 402.583 2.959 20 10 HFCDRO O=C([C@@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1cccc(F)c1)N1CCOCC1 ZINC000788528955 1077203231 /nfs/dbraw/zinc/20/32/31/1077203231.db2.gz KRDYXNAKFBGVHT-QGZVFWFLSA-N 1 0 406.885 2.992 20 10 HFCDRO COc1ccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C ZINC000788528884 1077203519 /nfs/dbraw/zinc/20/35/19/1077203519.db2.gz IJUKBTFLZZGVGP-HXUWFJFHSA-N 1 0 400.494 2.950 20 10 HFCDRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788585017 1077212958 /nfs/dbraw/zinc/21/29/58/1077212958.db2.gz RZTAKMPILZBRSQ-FUHWJXTLSA-N 1 0 409.502 2.922 20 10 HFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000788607712 1077222480 /nfs/dbraw/zinc/22/24/80/1077222480.db2.gz MHFOSRGHOFDXNL-OKZBNKHCSA-N 1 0 400.972 2.955 20 10 HFCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(O)c1 ZINC000788638776 1077242500 /nfs/dbraw/zinc/24/25/00/1077242500.db2.gz JNAPEBSGNFLMTD-MOPGFXCFSA-N 1 0 411.550 2.955 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3n[nH]c4c3CCCCC4)CC2)cc1 ZINC000788733486 1077284630 /nfs/dbraw/zinc/28/46/30/1077284630.db2.gz NCQLNKMYMKVHAF-UHFFFAOYSA-N 1 0 411.550 2.629 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000788930453 1077340451 /nfs/dbraw/zinc/34/04/51/1077340451.db2.gz AUNSCGOXSZPTSJ-HSZRJFAPSA-N 1 0 420.557 2.684 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000788912129 1077350990 /nfs/dbraw/zinc/35/09/90/1077350990.db2.gz SYUYOQGMINBSLA-QFIPXVFZSA-N 1 0 420.557 2.684 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000788953163 1077361180 /nfs/dbraw/zinc/36/11/80/1077361180.db2.gz ZFTCNEDRIGEQKO-CVDCTZTESA-N 1 0 422.573 2.786 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(NCC4CC4)nc3)CC2)cc1 ZINC000791300083 1077361376 /nfs/dbraw/zinc/36/13/76/1077361376.db2.gz GZPSAPMKWVTKQY-UHFFFAOYSA-N 1 0 423.561 2.854 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000788953823 1077361692 /nfs/dbraw/zinc/36/16/92/1077361692.db2.gz FSKVGHOXMJKYRN-FQEVSTJZSA-N 1 0 402.583 2.633 20 10 HFCDRO C[C@@H](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000788933519 1077367381 /nfs/dbraw/zinc/36/73/81/1077367381.db2.gz QEXWGXFDEMQMNQ-FQEVSTJZSA-N 1 0 422.573 2.930 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CSCc3cscn3)CC2)cc1 ZINC000746794830 1077469382 /nfs/dbraw/zinc/46/93/82/1077469382.db2.gz COEGTPGBDSJQKZ-UHFFFAOYSA-N 1 0 420.604 2.713 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](C4CC4)O[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000791554020 1077475946 /nfs/dbraw/zinc/47/59/46/1077475946.db2.gz QFPLLJSFWFRFNZ-FSBGXSNOSA-N 1 0 419.541 2.555 20 10 HFCDRO COC(=O)CC1([NH2+]CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCCC1 ZINC000791587824 1077492708 /nfs/dbraw/zinc/49/27/08/1077492708.db2.gz GHYJRTLLZIYUJY-UHFFFAOYSA-N 1 0 420.465 2.866 20 10 HFCDRO CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)ccc21 ZINC000789436131 1077571279 /nfs/dbraw/zinc/57/12/79/1077571279.db2.gz ZVMPHKTUNXNLJV-NRFANRHFSA-N 1 0 422.529 2.709 20 10 HFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792051693 1077694708 /nfs/dbraw/zinc/69/47/08/1077694708.db2.gz NTWNGHAMWPPVJX-JOCHJYFZSA-N 1 0 408.546 2.845 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3nnc(C(C)C)o3)cc2F)CC1 ZINC000746848516 1077737168 /nfs/dbraw/zinc/73/71/68/1077737168.db2.gz JVVXGAPPLZYMMT-UHFFFAOYSA-N 1 0 403.502 2.723 20 10 HFCDRO COc1ccc(N2CCC[N@H+](CCN(Cc3ccccc3)S(C)(=O)=O)CC2)cc1 ZINC000792209373 1077765462 /nfs/dbraw/zinc/76/54/62/1077765462.db2.gz UIRVRPQHBOQRJI-UHFFFAOYSA-N 1 0 417.575 2.669 20 10 HFCDRO C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000789745054 1077777855 /nfs/dbraw/zinc/77/78/55/1077777855.db2.gz WJCRTFGGJBABQS-YWZLYKJASA-N 1 0 410.518 2.954 20 10 HFCDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000790013213 1077913114 /nfs/dbraw/zinc/91/31/14/1077913114.db2.gz SQUDKZVPKVHCEJ-UHFFFAOYSA-N 1 0 421.611 2.727 20 10 HFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000746875886 1077949877 /nfs/dbraw/zinc/94/98/77/1077949877.db2.gz DGZZWWKESRJEAH-GOSISDBHSA-N 1 0 412.534 2.753 20 10 HFCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750099 1077966307 /nfs/dbraw/zinc/96/63/07/1077966307.db2.gz ICEUIZBFLKFZLV-HUUCEWRRSA-N 1 0 402.454 2.664 20 10 HFCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750097 1077966364 /nfs/dbraw/zinc/96/63/64/1077966364.db2.gz ICEUIZBFLKFZLV-GJZGRUSLSA-N 1 0 402.454 2.664 20 10 HFCDRO C[C@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C[NH+]1CCCC1 ZINC000790191850 1077967167 /nfs/dbraw/zinc/96/71/67/1077967167.db2.gz XIKGSBMPKRQHSS-GOSISDBHSA-N 1 0 401.551 2.902 20 10 HFCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000792948904 1078032937 /nfs/dbraw/zinc/03/29/37/1078032937.db2.gz MMRVVRAGPHDCNG-MRXNPFEDSA-N 1 0 403.548 2.513 20 10 HFCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCCSc3nccs3)C2)CC1 ZINC000806276437 1079539800 /nfs/dbraw/zinc/53/98/00/1079539800.db2.gz CZYBPGOPQAEVGW-KRWDZBQOSA-N 1 0 424.636 2.712 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000806279445 1079542973 /nfs/dbraw/zinc/54/29/73/1079542973.db2.gz ORERYNXDTPDRGM-CABCVRRESA-N 1 0 410.609 2.511 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000806282396 1079546547 /nfs/dbraw/zinc/54/65/47/1079546547.db2.gz JWJAWNJWNPCZAD-QGZVFWFLSA-N 1 0 424.636 2.856 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000806389230 1079639286 /nfs/dbraw/zinc/63/92/86/1079639286.db2.gz NQAOYTCTBWULRZ-HXUWFJFHSA-N 1 0 404.599 2.972 20 10 HFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806457095 1079727319 /nfs/dbraw/zinc/72/73/19/1079727319.db2.gz CKZQKUWMAMSTQW-OXQOHEQNSA-N 1 0 404.530 2.555 20 10 HFCDRO COCc1cnc(NC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000806610642 1079854707 /nfs/dbraw/zinc/85/47/07/1079854707.db2.gz ZUNIJTPMUKXXJX-UHFFFAOYSA-N 1 0 419.551 2.632 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000807101263 1080281331 /nfs/dbraw/zinc/28/13/31/1080281331.db2.gz VWZFSGJFZPQAED-IBGZPJMESA-N 1 0 410.562 2.704 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000807553387 1080747346 /nfs/dbraw/zinc/74/73/46/1080747346.db2.gz QLBBSFHGKUSIKU-UHFFFAOYSA-N 1 0 400.567 2.623 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC(C)(C)[C@H]3c3cccnc3)CC2)cc1 ZINC000793000137 1078044932 /nfs/dbraw/zinc/04/49/32/1078044932.db2.gz TYJBFQPCGVJWSG-FYYLOGMGSA-N 1 0 410.562 2.656 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOCC(F)(F)C(F)F)cc2F)CC1 ZINC000790594547 1078063553 /nfs/dbraw/zinc/06/35/53/1078063553.db2.gz PYZYDVOUCGIXKQ-UHFFFAOYSA-N 1 0 423.426 2.891 20 10 HFCDRO COc1ccc(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(O)c1 ZINC000793133214 1078087147 /nfs/dbraw/zinc/08/71/47/1078087147.db2.gz RRJHYHSGVPIGKR-UHFFFAOYSA-N 1 0 424.545 2.932 20 10 HFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793246899 1078109591 /nfs/dbraw/zinc/10/95/91/1078109591.db2.gz LVDMXCAQBCBKME-HSZRJFAPSA-N 1 0 424.593 2.987 20 10 HFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Br)ccc1O ZINC000790755530 1078111334 /nfs/dbraw/zinc/11/13/34/1078111334.db2.gz AIXALJNQXODLDR-GFCCVEGCSA-N 1 0 414.321 2.772 20 10 HFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905258 1078333905 /nfs/dbraw/zinc/33/39/05/1078333905.db2.gz ZYRSLXZCMNVFFN-ROUUACIJSA-N 1 0 413.518 2.751 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000793900156 1078343975 /nfs/dbraw/zinc/34/39/75/1078343975.db2.gz GSWXNKOYUBXZGH-MOPGFXCFSA-N 1 0 402.583 2.726 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000805022969 1078833375 /nfs/dbraw/zinc/83/33/75/1078833375.db2.gz KCGKMBNHYKBTHX-WOJBJXKFSA-N 1 0 414.594 2.918 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000805025998 1078837279 /nfs/dbraw/zinc/83/72/79/1078837279.db2.gz YPCLBPOWRSHRCN-QFIPXVFZSA-N 1 0 412.578 2.626 20 10 HFCDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000805025907 1078837599 /nfs/dbraw/zinc/83/75/99/1078837599.db2.gz ZUTYOJHXKWITDZ-UHFFFAOYSA-N 1 0 414.594 2.872 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC3(C[NH+](C)C)CCCC3)cc2)CC1 ZINC000805025623 1078837603 /nfs/dbraw/zinc/83/76/03/1078837603.db2.gz RMEOCYRAAYBGFD-UHFFFAOYSA-N 1 0 414.594 2.777 20 10 HFCDRO CCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C1CCCCC1 ZINC000805007645 1078851918 /nfs/dbraw/zinc/85/19/18/1078851918.db2.gz VQVICFSXRMDSGN-UHFFFAOYSA-N 1 0 418.557 2.765 20 10 HFCDRO CC[C@H]1CCCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000805007389 1078852269 /nfs/dbraw/zinc/85/22/69/1078852269.db2.gz KBUFOGAPTULYGO-IBGZPJMESA-N 1 0 418.557 2.765 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCCC3(C)C)cc2F)CC1 ZINC000805009309 1078854087 /nfs/dbraw/zinc/85/40/87/1078854087.db2.gz GZPUBJMRWYNMSB-HXUWFJFHSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000805637590 1079190215 /nfs/dbraw/zinc/19/02/15/1079190215.db2.gz VJHSZTUTLWZUII-GOSISDBHSA-N 1 0 402.583 2.694 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000805942226 1079345048 /nfs/dbraw/zinc/34/50/48/1079345048.db2.gz WHKOGWCTAFPELG-IBGZPJMESA-N 1 0 422.573 2.880 20 10 HFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000806128089 1079457681 /nfs/dbraw/zinc/45/76/81/1079457681.db2.gz NUXJAAOHNNEOFM-LPHOPBHVSA-N 1 0 401.473 2.907 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000787625545 1076882663 /nfs/dbraw/zinc/88/26/63/1076882663.db2.gz HXWVMNGUEVYNNB-SFHVURJKSA-N 1 0 422.573 2.883 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1F ZINC000787640823 1076892872 /nfs/dbraw/zinc/89/28/72/1076892872.db2.gz REDCUJJTDHAOIG-IBGZPJMESA-N 1 0 420.554 2.769 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000787908458 1076990051 /nfs/dbraw/zinc/99/00/51/1076990051.db2.gz DSQDWPHCBYSGQC-QZTJIDSGSA-N 1 0 402.583 2.552 20 10 HFCDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CCCO1 ZINC000788360658 1077125575 /nfs/dbraw/zinc/12/55/75/1077125575.db2.gz ZPRIKPDWBGNLJD-OREJSRFESA-N 1 0 422.481 2.573 20 10 HFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000788583109 1077212360 /nfs/dbraw/zinc/21/23/60/1077212360.db2.gz JKRWTJYIGKVRBJ-CTNGQTDRSA-N 1 0 424.545 2.617 20 10 HFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCN1Cc1ccc(F)cc1 ZINC000791007618 1077266092 /nfs/dbraw/zinc/26/60/92/1077266092.db2.gz NKYUMAUDGTYXAN-FQEVSTJZSA-N 1 0 401.457 2.692 20 10 HFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788928624 1077339049 /nfs/dbraw/zinc/33/90/49/1077339049.db2.gz AWYRYLJGLZGNCK-CVDCTZTESA-N 1 0 420.557 2.540 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788935797 1077370048 /nfs/dbraw/zinc/37/00/48/1077370048.db2.gz FSDVRMBASFBIMC-UGKGYDQZSA-N 1 0 420.557 2.855 20 10 HFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792051694 1077694740 /nfs/dbraw/zinc/69/47/40/1077694740.db2.gz NTWNGHAMWPPVJX-QFIPXVFZSA-N 1 0 408.546 2.845 20 10 HFCDRO C[C@]1(O)CCCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000792158435 1077725858 /nfs/dbraw/zinc/72/58/58/1077725858.db2.gz OLHXYECJZMIVHH-QHCPKHFHSA-N 1 0 400.567 2.665 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccnn3C(C)(C)C)CC2)cc1 ZINC000792389878 1077831766 /nfs/dbraw/zinc/83/17/66/1077831766.db2.gz LPXIPYZRLICODL-UHFFFAOYSA-N 1 0 414.554 2.981 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCSCC[C@H]3C)CC2)cc1 ZINC000790126474 1077959549 /nfs/dbraw/zinc/95/95/49/1077959549.db2.gz VKZVUULWISIKAI-GOSISDBHSA-N 1 0 406.596 2.744 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccnc3OC(C)C)CC2)cc1 ZINC000790161930 1077963040 /nfs/dbraw/zinc/96/30/40/1077963040.db2.gz IPMMOHWOTVAVDA-UHFFFAOYSA-N 1 0 412.534 2.820 20 10 HFCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750095 1077966278 /nfs/dbraw/zinc/96/62/78/1077966278.db2.gz ICEUIZBFLKFZLV-CABCVRRESA-N 1 0 402.454 2.664 20 10 HFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C ZINC000792893014 1078018259 /nfs/dbraw/zinc/01/82/59/1078018259.db2.gz JTUSHTLQNGXVSN-XQBPLPMBSA-N 1 0 403.567 2.775 20 10 HFCDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792951938 1078034003 /nfs/dbraw/zinc/03/40/03/1078034003.db2.gz VPJONHLAKJELCQ-GOSISDBHSA-N 1 0 400.489 2.804 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000806279446 1079543023 /nfs/dbraw/zinc/54/30/23/1079543023.db2.gz ORERYNXDTPDRGM-GJZGRUSLSA-N 1 0 410.609 2.511 20 10 HFCDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1cc(Br)ccc1O ZINC000806320569 1079592440 /nfs/dbraw/zinc/59/24/40/1079592440.db2.gz WOZLDEFKVKVFED-UHFFFAOYSA-N 1 0 421.295 2.637 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ncc(COC)s3)cc2F)CC1 ZINC000806602549 1079844004 /nfs/dbraw/zinc/84/40/04/1079844004.db2.gz KLCQSUSIQXNSFQ-UHFFFAOYSA-N 1 0 407.515 2.892 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc4c3CNC4=O)cc2F)CC1 ZINC000806751213 1079966904 /nfs/dbraw/zinc/96/69/04/1079966904.db2.gz HWIOTINPEYRBEY-UHFFFAOYSA-N 1 0 411.481 2.533 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3nc(C)no3)cc2F)CC1 ZINC000806750800 1079967269 /nfs/dbraw/zinc/96/72/69/1079967269.db2.gz ZJAACAJYXAFEKN-IBGZPJMESA-N 1 0 416.501 2.706 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc4c(c3)N(C)CCO4)cc2F)CC1 ZINC000806810063 1080024141 /nfs/dbraw/zinc/02/41/41/1080024141.db2.gz OYUNDPRHTZPNSY-UHFFFAOYSA-N 1 0 412.509 2.726 20 10 HFCDRO C[C@H](OCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nccn1C ZINC000807107168 1080285926 /nfs/dbraw/zinc/28/59/26/1080285926.db2.gz GEDIJCCVEAYXDS-WMLDXEAASA-N 1 0 406.914 2.638 20 10 HFCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807286802 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414.594 2.558 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)cc2F)CC1 ZINC000804440623 1078505648 /nfs/dbraw/zinc/50/56/48/1078505648.db2.gz IXYZGRBBIBOUEK-UHFFFAOYSA-N 1 0 403.458 2.562 20 10 HFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001170452250 1078519815 /nfs/dbraw/zinc/51/98/15/1078519815.db2.gz UIGCAVMIYBEUBT-IBGZPJMESA-N 1 0 407.555 2.619 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1F ZINC000804852489 1078721885 /nfs/dbraw/zinc/72/18/85/1078721885.db2.gz IYDVKFFHQUVBCQ-KRWDZBQOSA-N 1 0 406.546 2.669 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000804852265 1078721914 /nfs/dbraw/zinc/72/19/14/1078721914.db2.gz FMDYHCWKSWACGP-IBGZPJMESA-N 1 0 420.573 2.772 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000805019602 1078830267 /nfs/dbraw/zinc/83/02/67/1078830267.db2.gz HUQVLDGYWLJAAT-XDNSSPFJSA-N 1 0 412.578 2.671 20 10 HFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000805023398 1078834962 /nfs/dbraw/zinc/83/49/62/1078834962.db2.gz GVJPVWQSAFODDD-KNQAVFIVSA-N 1 0 414.594 2.728 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)cc2)CC1 ZINC000805025660 1078837644 /nfs/dbraw/zinc/83/76/44/1078837644.db2.gz STSZLXFNHYYXDS-NRFANRHFSA-N 1 0 414.594 2.776 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3(CC)CCCC3)cc2F)CC1 ZINC000805007384 1078852283 /nfs/dbraw/zinc/85/22/83/1078852283.db2.gz JSEGDHMTWOAJNR-UHFFFAOYSA-N 1 0 418.557 2.670 20 10 HFCDRO CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCC(C)CC1 ZINC000787617069 1076880055 /nfs/dbraw/zinc/88/00/55/1076880055.db2.gz RAXWEXCHLIERHP-QFIPXVFZSA-N 1 0 412.578 2.552 20 10 HFCDRO CC[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000787630494 1076884516 /nfs/dbraw/zinc/88/45/16/1076884516.db2.gz AZLVZCKEPMUBNJ-XMSQKQJNSA-N 1 0 422.573 2.883 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000787909028 1076991300 /nfs/dbraw/zinc/99/13/00/1076991300.db2.gz HHLNSEIPOKAYJQ-KDURUIRLSA-N 1 0 414.594 2.560 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000788462262 1077168006 /nfs/dbraw/zinc/16/80/06/1077168006.db2.gz XLFZTOLPCKEXMM-UHFFFAOYSA-N 1 0 422.573 2.917 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000788953578 1077360872 /nfs/dbraw/zinc/36/08/72/1077360872.db2.gz CXKCYVYDRIFILC-HXUWFJFHSA-N 1 0 400.567 2.626 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788934762 1077369211 /nfs/dbraw/zinc/36/92/11/1077369211.db2.gz ZBTJIAFFUCHNDE-QFIPXVFZSA-N 1 0 420.557 2.541 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccnn3-c3ccccc3)CC2)cc1 ZINC000791475409 1077446802 /nfs/dbraw/zinc/44/68/02/1077446802.db2.gz NXMFDCCZSUKYEH-UHFFFAOYSA-N 1 0 419.529 2.823 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)O[C@@H](C4CC4)C3)cc2F)C[C@@H](C)O1 ZINC000791554034 1077475966 /nfs/dbraw/zinc/47/59/66/1077475966.db2.gz QFPLLJSFWFRFNZ-QNFHRHJVSA-N 1 0 419.541 2.555 20 10 HFCDRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000789771404 1077771378 /nfs/dbraw/zinc/77/13/78/1077771378.db2.gz TYSZMLYMDGKSMG-FQEVSTJZSA-N 1 0 416.543 2.971 20 10 HFCDRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000790011707 1077911797 /nfs/dbraw/zinc/91/17/97/1077911797.db2.gz VKHPZQPOGPKUSO-KRWDZBQOSA-N 1 0 403.548 2.624 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc([C@H]4CCOC4)cc3)CC2)cc1 ZINC000790135111 1077953770 /nfs/dbraw/zinc/95/37/70/1077953770.db2.gz LSIRWWPGQCCGPG-UNMCSNQZSA-N 1 0 412.530 2.761 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@](C)(OC)CC3)CC2)cc1 ZINC000792794211 1077993476 /nfs/dbraw/zinc/99/34/76/1077993476.db2.gz XRVNVDKUENBVJC-QHCPKHFHSA-N 1 0 418.582 2.808 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCCCC[C@H]3CCO)cc2F)C[C@@H](C)O1 ZINC000792923625 1078026743 /nfs/dbraw/zinc/02/67/43/1078026743.db2.gz DZIJFAIJKMKJRZ-GGPKGHCWSA-N 1 0 421.557 2.683 20 10 HFCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436436 1078030535 /nfs/dbraw/zinc/03/05/35/1078030535.db2.gz YLZLWLWGXZTUIO-GNBUJSLZSA-N 1 0 421.557 2.681 20 10 HFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806254079 1079521891 /nfs/dbraw/zinc/52/18/91/1079521891.db2.gz QUPCJBBBHSKKOW-LJQANCHMSA-N 1 0 413.518 2.895 20 10 HFCDRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000806458635 1079732220 /nfs/dbraw/zinc/73/22/20/1079732220.db2.gz ZREQVNXLIPBESW-FQEVSTJZSA-N 1 0 418.488 2.904 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000806788720 1080009598 /nfs/dbraw/zinc/00/95/98/1080009598.db2.gz HHXGCFBHVKPDON-UTKZUKDTSA-N 1 0 400.567 2.843 20 10 HFCDRO CCC[C@]1(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCOC1 ZINC000807062590 1080244045 /nfs/dbraw/zinc/24/40/45/1080244045.db2.gz HNVYDDJGBXXXLW-QHCPKHFHSA-N 1 0 400.567 2.977 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000807100620 1080279968 /nfs/dbraw/zinc/27/99/68/1080279968.db2.gz LRIFZUBFDXFOEV-HXUWFJFHSA-N 1 0 414.594 2.792 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807546158 1080762113 /nfs/dbraw/zinc/76/21/13/1080762113.db2.gz QXODONYWZKBWKC-NQIIRXRSSA-N 1 0 409.530 2.768 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807545702 1080762629 /nfs/dbraw/zinc/76/26/29/1080762629.db2.gz JNDCUDLCGVINFX-SPEDKVCISA-N 1 0 408.546 2.567 20 10 HFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1COCCN1C1CCCC1 ZINC000793687760 1078257250 /nfs/dbraw/zinc/25/72/50/1078257250.db2.gz BPZRTKYWGXXPGN-ICSRJNTNSA-N 1 0 421.969 2.770 20 10 HFCDRO 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CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCC(C)(C)C3)cc2F)CC1 ZINC000805007466 1078851990 /nfs/dbraw/zinc/85/19/90/1078851990.db2.gz SEHYUYPZNPUHSQ-GOSISDBHSA-N 1 0 418.557 2.669 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC000805804941 1079281790 /nfs/dbraw/zinc/28/17/90/1079281790.db2.gz HXTGUKPGSRZOSK-IBGZPJMESA-N 1 0 401.938 2.847 20 10 HFCDRO C[C@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000805942227 1079345256 /nfs/dbraw/zinc/34/52/56/1079345256.db2.gz WHKOGWCTAFPELG-LJQANCHMSA-N 1 0 422.573 2.880 20 10 HFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2Cl)C1 ZINC000806042848 1079411607 /nfs/dbraw/zinc/41/16/07/1079411607.db2.gz VFLHOQJGAGBSNI-SOLBZPMBSA-N 1 0 420.985 2.791 20 10 HFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170621 1079461567 /nfs/dbraw/zinc/46/15/67/1079461567.db2.gz XLGUDFHRHMTHIN-LIRRHRJNSA-N 1 0 400.475 2.870 20 10 HFCDRO C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000787322453 1076765663 /nfs/dbraw/zinc/76/56/63/1076765663.db2.gz KHQLQHQVSYZSRB-WIYYLYMNSA-N 1 0 412.578 2.530 20 10 HFCDRO CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000787322579 1076765836 /nfs/dbraw/zinc/76/58/36/1076765836.db2.gz RKGFDDQMCQYHMF-UHFFFAOYSA-N 1 0 420.557 2.881 20 10 HFCDRO CO[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(O)cc1 ZINC000787491557 1076824589 /nfs/dbraw/zinc/82/45/89/1076824589.db2.gz ZYIBAJGRIPZLRQ-HSZRJFAPSA-N 1 0 409.530 2.928 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000787640946 1076892919 /nfs/dbraw/zinc/89/29/19/1076892919.db2.gz RWCFUXYOJFUVRR-HXUWFJFHSA-N 1 0 416.591 2.972 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000787707721 1076920412 /nfs/dbraw/zinc/92/04/12/1076920412.db2.gz RMEMRBWNWFJYOS-RTBURBONSA-N 1 0 402.583 2.633 20 10 HFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000787753594 1076928364 /nfs/dbraw/zinc/92/83/64/1076928364.db2.gz ZEPFOUCINIRYQA-LJQANCHMSA-N 1 0 400.567 2.530 20 10 HFCDRO CN(C)c1ccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1F ZINC000788531727 1077204854 /nfs/dbraw/zinc/20/48/54/1077204854.db2.gz GEZVHQHPEJIFLT-IBGZPJMESA-N 1 0 417.500 2.838 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000788565449 1077208170 /nfs/dbraw/zinc/20/81/70/1077208170.db2.gz VOODJPXOGUGUEW-DENIHFKCSA-N 1 0 412.578 2.815 20 10 HFCDRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788669818 1077261915 /nfs/dbraw/zinc/26/19/15/1077261915.db2.gz PNLJDTQFQYJSRA-MRXNPFEDSA-N 1 0 405.516 2.948 20 10 HFCDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000746761851 1077280919 /nfs/dbraw/zinc/28/09/19/1077280919.db2.gz PCXLXZWYTWEEES-QFIPXVFZSA-N 1 0 418.582 2.806 20 10 HFCDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000788929465 1077339494 /nfs/dbraw/zinc/33/94/94/1077339494.db2.gz JPENYYHGLGCBEB-KNQAVFIVSA-N 1 0 420.557 2.682 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000788928921 1077339759 /nfs/dbraw/zinc/33/97/59/1077339759.db2.gz ODGIVOZSMINVCC-UHFFFAOYSA-N 1 0 400.567 2.626 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000788931046 1077341463 /nfs/dbraw/zinc/34/14/63/1077341463.db2.gz DCCOMMRMOZUEKO-AZUAARDMSA-N 1 0 412.578 2.672 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000788953824 1077361684 /nfs/dbraw/zinc/36/16/84/1077361684.db2.gz FSKVGHOXMJKYRN-HXUWFJFHSA-N 1 0 402.583 2.633 20 10 HFCDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cccc21 ZINC000789370423 1077542478 /nfs/dbraw/zinc/54/24/78/1077542478.db2.gz DGSKFUUSLDQGKR-NRFANRHFSA-N 1 0 422.529 2.927 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789507396 1077601737 /nfs/dbraw/zinc/60/17/37/1077601737.db2.gz NCSPUYKAWZVUGQ-FQEVSTJZSA-N 1 0 410.518 2.701 20 10 HFCDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cccc21 ZINC000789552079 1077641330 /nfs/dbraw/zinc/64/13/30/1077641330.db2.gz GFROZKCMXSGVKR-FQEVSTJZSA-N 1 0 423.513 2.911 20 10 HFCDRO CS(=O)(=O)N(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Cc1ccccc1 ZINC000792249605 1077764818 /nfs/dbraw/zinc/76/48/18/1077764818.db2.gz MQXHMKPPNIYLNH-NRFANRHFSA-N 1 0 418.559 2.835 20 10 HFCDRO C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000789745050 1077777900 /nfs/dbraw/zinc/77/79/00/1077777900.db2.gz WJCRTFGGJBABQS-MGPUTAFESA-N 1 0 410.518 2.954 20 10 HFCDRO C[C@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000792277180 1077792044 /nfs/dbraw/zinc/79/20/44/1077792044.db2.gz RHAJHHXHMZVHGR-IBGZPJMESA-N 1 0 417.575 2.636 20 10 HFCDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC000789957830 1077869343 /nfs/dbraw/zinc/86/93/43/1077869343.db2.gz XTOPWXYWXVOGNZ-UHFFFAOYSA-N 1 0 401.482 2.878 20 10 HFCDRO CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000789985070 1077885138 /nfs/dbraw/zinc/88/51/38/1077885138.db2.gz YBQDUOBXAJBAAA-QUCCMNQESA-N 1 0 418.557 2.669 20 10 HFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000790292631 1077987466 /nfs/dbraw/zinc/98/74/66/1077987466.db2.gz QCEBDUBYMVBQRC-FCHUYYIVSA-N 1 0 424.545 2.617 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1)C1CCCCC1 ZINC000790273800 1077993117 /nfs/dbraw/zinc/99/31/17/1077993117.db2.gz HWQAXYQZGSIHNK-FGZHOGPDSA-N 1 0 412.578 2.815 20 10 HFCDRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC000792828918 1078006998 /nfs/dbraw/zinc/00/69/98/1078006998.db2.gz LDZLZZNJCPBURP-NRFANRHFSA-N 1 0 412.534 2.579 20 10 HFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000747091094 1078029022 /nfs/dbraw/zinc/02/90/22/1078029022.db2.gz HLGDKSNARSQTJB-UHFFFAOYSA-N 1 0 406.490 2.798 20 10 HFCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCCCSc3nccs3)C2)CC1 ZINC000806276438 1079539786 /nfs/dbraw/zinc/53/97/86/1079539786.db2.gz CZYBPGOPQAEVGW-QGZVFWFLSA-N 1 0 424.636 2.712 20 10 HFCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277335 1079540877 /nfs/dbraw/zinc/54/08/77/1079540877.db2.gz YMDJBPVGHSMRDK-IAGOWNOFSA-N 1 0 424.636 2.855 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000806425859 1079671120 /nfs/dbraw/zinc/67/11/20/1079671120.db2.gz QWWJOTZEMTYMBS-GCJKJVERSA-N 1 0 408.546 2.711 20 10 HFCDRO CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)NCc4ccc(N5CC[NH+](CC6CC6)CC5)cc4)[C@H]1[C@H]3C2 ZINC000807062689 1080244104 /nfs/dbraw/zinc/24/41/04/1080244104.db2.gz JCGWSGJWJUKZBW-HRKPPWRHSA-N 1 0 424.589 2.783 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000807291166 1080457211 /nfs/dbraw/zinc/45/72/11/1080457211.db2.gz UGMHRCMGIFBKHB-UHFFFAOYSA-N 1 0 424.589 2.794 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000807290905 1080457689 /nfs/dbraw/zinc/45/76/89/1080457689.db2.gz OWVOAHWGDJECEE-QFIPXVFZSA-N 1 0 424.589 2.794 20 10 HFCDRO C[C@@H](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000807291925 1080479331 /nfs/dbraw/zinc/47/93/31/1080479331.db2.gz JZMVMFVXGREDSF-FQEVSTJZSA-N 1 0 420.557 2.706 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807546668 1080764055 /nfs/dbraw/zinc/76/40/55/1080764055.db2.gz QJFPTNNQTJRKCV-CVDCTZTESA-N 1 0 422.573 2.738 20 10 HFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c(C(F)(F)F)c1 ZINC000793072257 1078062736 /nfs/dbraw/zinc/06/27/36/1078062736.db2.gz DHMXVFWHOABQHK-KRWDZBQOSA-N 1 0 409.456 2.786 20 10 HFCDRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc4c(cc3O)OCO4)cc2)C1=O ZINC000790609084 1078074409 /nfs/dbraw/zinc/07/44/09/1078074409.db2.gz HWDUFDFZKQDZTM-QFIPXVFZSA-N 1 0 409.442 2.636 20 10 HFCDRO C[NH+]1CCN(c2ccc(CN[C@H](C(N)=O)c3cccc(Br)c3)cc2)CC1 ZINC000793267265 1078114353 /nfs/dbraw/zinc/11/43/53/1078114353.db2.gz TXNPCUAJZPNVEV-IBGZPJMESA-N 1 0 417.351 2.517 20 10 HFCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C2CC2)cc1 ZINC000793717849 1078263863 /nfs/dbraw/zinc/26/38/63/1078263863.db2.gz KSKPHFOHBKICFD-NRFANRHFSA-N 1 0 422.573 2.533 20 10 HFCDRO Cc1ccc([C@H](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[NH+](C)C)cc1 ZINC000793723333 1078266204 /nfs/dbraw/zinc/26/62/04/1078266204.db2.gz WNLGNHIAJDSHOA-QHCPKHFHSA-N 1 0 422.573 2.971 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793914507 1078336650 /nfs/dbraw/zinc/33/66/50/1078336650.db2.gz ULSCMKXOIUKTLI-RTBURBONSA-N 1 0 412.578 2.552 20 10 HFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446620 1078513864 /nfs/dbraw/zinc/51/38/64/1078513864.db2.gz LVQPOVKNKDESHK-RVFJIUOTSA-N 1 0 407.514 2.530 20 10 HFCDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cc(Br)ccc3O)c2)CC1 ZINC000804736426 1078594760 /nfs/dbraw/zinc/59/47/60/1078594760.db2.gz SFQSHQFVLJUFDE-UHFFFAOYSA-N 1 0 418.335 2.832 20 10 HFCDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000804968341 1078804360 /nfs/dbraw/zinc/80/43/60/1078804360.db2.gz BBCOOKFTJLZUPR-UHFFFAOYSA-N 1 0 418.513 2.919 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)cc2F)CC1 ZINC000805009993 1078853619 /nfs/dbraw/zinc/85/36/19/1078853619.db2.gz RAPXZHOFPGLBKO-FUHIMQAGSA-N 1 0 418.557 2.525 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000805195957 1078969903 /nfs/dbraw/zinc/96/99/03/1078969903.db2.gz HOLAUVAFDFQVSU-RUZDIDTESA-N 1 0 422.573 2.882 20 10 HFCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000805636480 1079189604 /nfs/dbraw/zinc/18/96/04/1079189604.db2.gz RTVVFUBMNNQWEZ-GOSISDBHSA-N 1 0 414.594 2.702 20 10 HFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000805769053 1079270848 /nfs/dbraw/zinc/27/08/48/1079270848.db2.gz RDWCOUGJMGOYKQ-KSFYIVLOSA-N 1 0 417.509 2.959 20 10 HFCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccsc1 ZINC000787613623 1076879135 /nfs/dbraw/zinc/87/91/35/1076879135.db2.gz ATZKZAUCOLQIRZ-LJQANCHMSA-N 1 0 420.554 2.769 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000787707720 1076920487 /nfs/dbraw/zinc/92/04/87/1076920487.db2.gz RMEMRBWNWFJYOS-OALUTQOASA-N 1 0 402.583 2.633 20 10 HFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000787751207 1076926286 /nfs/dbraw/zinc/92/62/86/1076926286.db2.gz KVWZXKFRPZXWMP-IBGZPJMESA-N 1 0 400.567 2.626 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000787751677 1076927031 /nfs/dbraw/zinc/92/70/31/1076927031.db2.gz ODTZZJYLLDQXAT-AVRDEDQJSA-N 1 0 408.546 2.883 20 10 HFCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000787881789 1076975878 /nfs/dbraw/zinc/97/58/78/1076975878.db2.gz JUAKRZIPANOQOD-UHFFFAOYSA-N 1 0 400.498 2.988 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000787909032 1076991289 /nfs/dbraw/zinc/99/12/89/1076991289.db2.gz HHLNSEIPOKAYJQ-RTBURBONSA-N 1 0 414.594 2.560 20 10 HFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1 ZINC000788611068 1077207503 /nfs/dbraw/zinc/20/75/03/1077207503.db2.gz FEFTXTXAYIFXQJ-FUHWJXTLSA-N 1 0 416.493 2.908 20 10 HFCDRO COc1ccc(N2CCCN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000788599719 1077218889 /nfs/dbraw/zinc/21/88/89/1077218889.db2.gz KANIWMXLOMBNQI-UHFFFAOYSA-N 1 0 403.548 2.658 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000788931047 1077341519 /nfs/dbraw/zinc/34/15/19/1077341519.db2.gz DCCOMMRMOZUEKO-ICSRJNTNSA-N 1 0 412.578 2.672 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000788953848 1077361789 /nfs/dbraw/zinc/36/17/89/1077361789.db2.gz DBGMQHFXCZFYJK-NRFANRHFSA-N 1 0 400.567 2.626 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000788975455 1077380830 /nfs/dbraw/zinc/38/08/30/1077380830.db2.gz OUAZHGPEJIRAFQ-AZUAARDMSA-N 1 0 414.594 2.918 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789651249 1077719312 /nfs/dbraw/zinc/71/93/12/1077719312.db2.gz FJLLGTHVQLUBJD-NRFANRHFSA-N 1 0 409.530 2.912 20 10 HFCDRO C[C@@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000789745053 1077777831 /nfs/dbraw/zinc/77/78/31/1077777831.db2.gz WJCRTFGGJBABQS-QRWLVFNGSA-N 1 0 410.518 2.954 20 10 HFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789902316 1077856337 /nfs/dbraw/zinc/85/63/37/1077856337.db2.gz ACTBDECKAABNJE-JOCHJYFZSA-N 1 0 408.546 2.939 20 10 HFCDRO CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000789985068 1077885286 /nfs/dbraw/zinc/88/52/86/1077885286.db2.gz YBQDUOBXAJBAAA-AZUAARDMSA-N 1 0 418.557 2.669 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cc2)CC1 ZINC000780429230 1077927746 /nfs/dbraw/zinc/92/77/46/1077927746.db2.gz YTVIPRRAXMXTIV-LJQANCHMSA-N 1 0 402.583 2.910 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3coc(C(F)(F)F)n3)cc2F)CC1 ZINC000790052976 1077933167 /nfs/dbraw/zinc/93/31/67/1077933167.db2.gz NVXQPSIVZVFUAM-UHFFFAOYSA-N 1 0 400.376 2.904 20 10 HFCDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750104 1077966795 /nfs/dbraw/zinc/96/67/95/1077966795.db2.gz ICEUIZBFLKFZLV-LSDHHAIUSA-N 1 0 402.454 2.664 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)C1CCCCC1 ZINC000790273801 1077993161 /nfs/dbraw/zinc/99/31/61/1077993161.db2.gz HWQAXYQZGSIHNK-VXKWHMMOSA-N 1 0 412.578 2.815 20 10 HFCDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792826287 1078006477 /nfs/dbraw/zinc/00/64/77/1078006477.db2.gz GIVFWLDZNGSMOC-UHFFFAOYSA-N 1 0 412.534 2.538 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000792863218 1078010858 /nfs/dbraw/zinc/01/08/58/1078010858.db2.gz KOOGVLUJQLVPAT-DENIHFKCSA-N 1 0 403.567 2.919 20 10 HFCDRO O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000792866225 1078011402 /nfs/dbraw/zinc/01/14/02/1078011402.db2.gz ZMZZILWJRRPFRG-UHFFFAOYSA-N 1 0 412.456 2.603 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCCCC[C@H]3CCO)cc2F)C[C@H](C)O1 ZINC000792923629 1078026839 /nfs/dbraw/zinc/02/68/39/1078026839.db2.gz DZIJFAIJKMKJRZ-NSHGMRRFSA-N 1 0 421.557 2.683 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000792924120 1078027274 /nfs/dbraw/zinc/02/72/74/1078027274.db2.gz HVQOMLATOXBCMJ-XQTRSNPVSA-N 1 0 419.541 2.699 20 10 HFCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000792950190 1078033077 /nfs/dbraw/zinc/03/30/77/1078033077.db2.gz PGSHTIDSLSZNLB-KRWDZBQOSA-N 1 0 417.575 2.855 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCCSC3)CC2)cc1 ZINC000806333462 1079605065 /nfs/dbraw/zinc/60/50/65/1079605065.db2.gz JNIXRKZPJFIARO-SFHVURJKSA-N 1 0 406.596 2.650 20 10 HFCDRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000806425860 1079671234 /nfs/dbraw/zinc/67/12/34/1079671234.db2.gz QWWJOTZEMTYMBS-PGRDOPGGSA-N 1 0 408.546 2.711 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@]4(C3)CCCOC4)cc2F)CC1 ZINC000806750781 1079967289 /nfs/dbraw/zinc/96/72/89/1079967289.db2.gz YVNJJAJSPSOCFD-JOCHJYFZSA-N 1 0 404.530 2.680 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000806787856 1080010093 /nfs/dbraw/zinc/01/00/93/1080010093.db2.gz NTFYRDPKOLTTSY-OAQYLSRUSA-N 1 0 400.567 2.624 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(OC)OC)o3)cc2F)CC1 ZINC000806810449 1080024094 /nfs/dbraw/zinc/02/40/94/1080024094.db2.gz VMSHQYBOOGZVQP-UHFFFAOYSA-N 1 0 405.470 2.782 20 10 HFCDRO CC1(C)CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC[C@H]1O ZINC000807062812 1080244084 /nfs/dbraw/zinc/24/40/84/1080244084.db2.gz KBLJXPXEYFAEIK-OAQYLSRUSA-N 1 0 400.567 2.521 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000807095937 1080273754 /nfs/dbraw/zinc/27/37/54/1080273754.db2.gz CQRDIODOICAXFW-UHFFFAOYSA-N 1 0 400.567 2.591 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000807096968 1080274687 /nfs/dbraw/zinc/27/46/87/1080274687.db2.gz MHYYVLZYBDQVDH-UXHICEINSA-N 1 0 414.594 2.790 20 10 HFCDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000807099112 1080279451 /nfs/dbraw/zinc/27/94/51/1080279451.db2.gz KDWSVBZVYJHGHI-UHFFFAOYSA-N 1 0 422.573 2.720 20 10 HFCDRO C[C@@H](OCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nccn1C ZINC000807107165 1080285895 /nfs/dbraw/zinc/28/58/95/1080285895.db2.gz GEDIJCCVEAYXDS-PBHICJAKSA-N 1 0 406.914 2.638 20 10 HFCDRO C[C@H](OCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nccn1C ZINC000807107169 1080286436 /nfs/dbraw/zinc/28/64/36/1080286436.db2.gz GEDIJCCVEAYXDS-YOEHRIQHSA-N 1 0 406.914 2.638 20 10 HFCDRO COc1cc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1OC ZINC000807246897 1080402532 /nfs/dbraw/zinc/40/25/32/1080402532.db2.gz RHYMSIVETOFXBL-KRWDZBQOSA-N 1 0 405.539 2.626 20 10 HFCDRO CCCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000807514499 1080722199 /nfs/dbraw/zinc/72/21/99/1080722199.db2.gz VQKLXMPYZIHUKQ-IHWFROFDSA-N 1 0 416.566 2.788 20 10 HFCDRO COc1c(O)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775011598 1126109174 /nfs/dbraw/zinc/10/91/74/1126109174.db2.gz LSSKSCCGDYXBRO-CXAGYDPISA-N 1 0 400.353 2.933 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCO[C@@H](C(C)(C)C)C3)CC2)cc1 ZINC000790643969 1078091204 /nfs/dbraw/zinc/09/12/04/1078091204.db2.gz UTOYLZVYFRUACT-OAQYLSRUSA-N 1 0 418.582 2.664 20 10 HFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793246901 1078109516 /nfs/dbraw/zinc/10/95/16/1078109516.db2.gz LVDMXCAQBCBKME-QHCPKHFHSA-N 1 0 424.593 2.987 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000793717677 1078264183 /nfs/dbraw/zinc/26/41/83/1078264183.db2.gz GLCNPSYBGHXLJZ-JOCHJYFZSA-N 1 0 410.562 2.829 20 10 HFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901248 1078332740 /nfs/dbraw/zinc/33/27/40/1078332740.db2.gz LULMZICZZDWYSW-WOJBJXKFSA-N 1 0 414.594 2.776 20 10 HFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904370 1078333506 /nfs/dbraw/zinc/33/35/06/1078333506.db2.gz XJMAKTBNPWVTFH-UXHICEINSA-N 1 0 414.594 2.872 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793932392 1078341458 /nfs/dbraw/zinc/34/14/58/1078341458.db2.gz SMCPEFQKZSNWTH-GHTZIAJQSA-N 1 0 408.546 2.663 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793930782 1078341534 /nfs/dbraw/zinc/34/15/34/1078341534.db2.gz LHKUXSFQXZAJLO-WIYYLYMNSA-N 1 0 408.546 2.629 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000793912283 1078336042 /nfs/dbraw/zinc/33/60/42/1078336042.db2.gz OZXXQHRJOOZALL-GBESFXJTSA-N 1 0 402.583 2.584 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000793915593 1078337069 /nfs/dbraw/zinc/33/70/69/1078337069.db2.gz ZMQGCNRVBIDYGV-SFHVURJKSA-N 1 0 402.583 2.728 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[N@H+](C)C1CC1 ZINC000804430190 1078474955 /nfs/dbraw/zinc/47/49/55/1078474955.db2.gz WYHVGHUJMSNWBV-HZPDHXFCSA-N 1 0 420.985 2.791 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000804820134 1078661569 /nfs/dbraw/zinc/66/15/69/1078661569.db2.gz CNEMIOINCPKRTI-UHFFFAOYSA-N 1 0 400.567 2.626 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804644239 1078698261 /nfs/dbraw/zinc/69/82/61/1078698261.db2.gz ZPCMZWKXIVGENP-KNQAVFIVSA-N 1 0 422.573 2.847 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C[NH+]1CCCCC1 ZINC000805023805 1078834616 /nfs/dbraw/zinc/83/46/16/1078834616.db2.gz BAPLNQJRPIKWCY-FQEVSTJZSA-N 1 0 414.594 2.777 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000805025673 1078837978 /nfs/dbraw/zinc/83/79/78/1078837978.db2.gz TUTSUYKUGUKJJY-VQTJNVASSA-N 1 0 414.594 2.776 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)cc2F)CC1 ZINC000805006710 1078850610 /nfs/dbraw/zinc/85/06/10/1078850610.db2.gz CHBBYVRNCHFFQN-DZFIZOCASA-N 1 0 418.557 2.525 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)C1 ZINC001130210732 1079088198 /nfs/dbraw/zinc/08/81/98/1079088198.db2.gz XYKZBSIFOPIIGQ-OKZBNKHCSA-N 1 0 410.562 2.874 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C)cc2=O ZINC000805832973 1079273255 /nfs/dbraw/zinc/27/32/55/1079273255.db2.gz PIHRUCSEZNAYOS-ZDUSSCGKSA-N 1 0 414.462 2.788 20 10 HFCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccsc1 ZINC000787616518 1076880339 /nfs/dbraw/zinc/88/03/39/1076880339.db2.gz NBXKTFQELJNJTA-HXUWFJFHSA-N 1 0 416.591 2.938 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000787617858 1076880357 /nfs/dbraw/zinc/88/03/57/1076880357.db2.gz UIWYDRIXBUQENA-NRFANRHFSA-N 1 0 402.583 2.550 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787705841 1076919500 /nfs/dbraw/zinc/91/95/00/1076919500.db2.gz LRKJZIBDHGZENW-KDURUIRLSA-N 1 0 402.583 2.585 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752208 1076926756 /nfs/dbraw/zinc/92/67/56/1076926756.db2.gz SYLTVCCKSWZMDM-HSZRJFAPSA-N 1 0 420.557 2.856 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccc(N(C)C)c3)cc2F)CC1 ZINC000788047331 1077040822 /nfs/dbraw/zinc/04/08/22/1077040822.db2.gz LGEUPPRFHLVXIE-UHFFFAOYSA-N 1 0 420.554 2.512 20 10 HFCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000788313656 1077116798 /nfs/dbraw/zinc/11/67/98/1077116798.db2.gz ONIVWVIIIZKHEH-UHFFFAOYSA-N 1 0 406.546 2.804 20 10 HFCDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCCO1 ZINC000788359024 1077124559 /nfs/dbraw/zinc/12/45/59/1077124559.db2.gz LWYFGWIHHDJLEV-GKCIPKSASA-N 1 0 422.481 2.573 20 10 HFCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C2CC2)cc1 ZINC000788458605 1077166108 /nfs/dbraw/zinc/16/61/08/1077166108.db2.gz BIZPVCUUKJUAJL-UHFFFAOYSA-N 1 0 408.546 2.622 20 10 HFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000788567833 1077208476 /nfs/dbraw/zinc/20/84/76/1077208476.db2.gz BOIAOHNPWQFITK-SFHVURJKSA-N 1 0 418.582 2.662 20 10 HFCDRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788669817 1077261779 /nfs/dbraw/zinc/26/17/79/1077261779.db2.gz PNLJDTQFQYJSRA-INIZCTEOSA-N 1 0 405.516 2.948 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000788928587 1077338704 /nfs/dbraw/zinc/33/87/04/1077338704.db2.gz LRZFOTDSXFFZFD-DENIHFKCSA-N 1 0 412.578 2.624 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000788928946 1077339665 /nfs/dbraw/zinc/33/96/65/1077339665.db2.gz OZPQAPTUJZPLCG-GOSISDBHSA-N 1 0 402.583 2.776 20 10 HFCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788910361 1077349734 /nfs/dbraw/zinc/34/97/34/1077349734.db2.gz JXYPFCFAIDFPIY-SFHVURJKSA-N 1 0 400.567 2.530 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000788912126 1077350840 /nfs/dbraw/zinc/35/08/40/1077350840.db2.gz SYUYOQGMINBSLA-JOCHJYFZSA-N 1 0 420.557 2.684 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000788953484 1077360779 /nfs/dbraw/zinc/36/07/79/1077360779.db2.gz BJXQFOVVHKWQCV-SIKLNZKXSA-N 1 0 422.573 2.928 20 10 HFCDRO CO[C@]1(C)CCC[N@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000791554324 1077475979 /nfs/dbraw/zinc/47/59/79/1077475979.db2.gz HBECAZWSSZQHHF-DRSNIGMVSA-N 1 0 407.530 2.556 20 10 HFCDRO CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)ccc21 ZINC000789436134 1077571255 /nfs/dbraw/zinc/57/12/55/1077571255.db2.gz ZVMPHKTUNXNLJV-OAQYLSRUSA-N 1 0 422.529 2.709 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSCc3cscn3)cc2F)CC1 ZINC000746840413 1077709250 /nfs/dbraw/zinc/70/92/50/1077709250.db2.gz NEZKKQZGQMTHQV-UHFFFAOYSA-N 1 0 408.568 2.974 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789658282 1077722711 /nfs/dbraw/zinc/72/27/11/1077722711.db2.gz FDJNJWWFGJBPTN-KRWDZBQOSA-N 1 0 418.588 2.522 20 10 HFCDRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000789657551 1077723373 /nfs/dbraw/zinc/72/33/73/1077723373.db2.gz AJCSTXXASIJJMV-NQIIRXRSSA-N 1 0 408.546 2.711 20 10 HFCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000792199251 1077742778 /nfs/dbraw/zinc/74/27/78/1077742778.db2.gz CPHIXNVDZSLDOB-UHFFFAOYSA-N 1 0 414.321 2.519 20 10 HFCDRO Cc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792210292 1077765874 /nfs/dbraw/zinc/76/58/74/1077765874.db2.gz KXCAXOGXGDWDIV-UHFFFAOYSA-N 1 0 424.545 2.828 20 10 HFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000772797014 1077879916 /nfs/dbraw/zinc/87/99/16/1077879916.db2.gz ASJWOQJYQPXAJA-INIZCTEOSA-N 1 0 419.547 2.882 20 10 HFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000792881388 1078016382 /nfs/dbraw/zinc/01/63/82/1078016382.db2.gz GYHNYGYKKCMSGD-UHFFFAOYSA-N 1 0 400.567 2.711 20 10 HFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)cc2)CC1 ZINC000792976366 1078030806 /nfs/dbraw/zinc/03/08/06/1078030806.db2.gz CDYMBEGNSQNFHE-UHFFFAOYSA-N 1 0 414.506 2.536 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000806282395 1079546577 /nfs/dbraw/zinc/54/65/77/1079546577.db2.gz JWJAWNJWNPCZAD-KRWDZBQOSA-N 1 0 424.636 2.856 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C3CC3)C(F)(F)F)CC2)cc1 ZINC000806334955 1079605665 /nfs/dbraw/zinc/60/56/65/1079605665.db2.gz XYSLSWBFUJUKCP-SFHVURJKSA-N 1 0 414.472 2.847 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@@H]3[C@H]3CCCO3)CC2)cc1 ZINC000806334390 1079606421 /nfs/dbraw/zinc/60/64/21/1079606421.db2.gz NMMRCYPHIZWCOH-FGZHOGPDSA-N 1 0 416.566 2.560 20 10 HFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806457252 1079726713 /nfs/dbraw/zinc/72/67/13/1079726713.db2.gz HLJXKZZLOAQYLP-FUHWJXTLSA-N 1 0 404.530 2.555 20 10 HFCDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000806513041 1079788505 /nfs/dbraw/zinc/78/85/05/1079788505.db2.gz XVLFOWHSZILAFP-QFIPXVFZSA-N 1 0 412.534 2.634 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCCC[C@H]3CCO)cc2F)CC1 ZINC000806749903 1079965382 /nfs/dbraw/zinc/96/53/82/1079965382.db2.gz IBWNBTYJVRKUPP-IBGZPJMESA-N 1 0 406.546 2.804 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3[C@H]3CCCO3)cc2F)CC1 ZINC000806749776 1079965974 /nfs/dbraw/zinc/96/59/74/1079965974.db2.gz FFEWALMYOVQDRP-LEWJYISDSA-N 1 0 404.530 2.821 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806790469 1080010911 /nfs/dbraw/zinc/01/09/11/1080010911.db2.gz YFZLBHJDFITAQO-OAQYLSRUSA-N 1 0 400.567 2.591 20 10 HFCDRO CCOC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000806809417 1080023857 /nfs/dbraw/zinc/02/38/57/1080023857.db2.gz DVOPNIDWWZYCBC-UHFFFAOYSA-N 1 0 407.530 2.953 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807113375 1080291191 /nfs/dbraw/zinc/29/11/91/1080291191.db2.gz CXPTXQZOMVFYAO-SFYKDHMMSA-N 1 0 422.573 2.957 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000807363784 1080525644 /nfs/dbraw/zinc/52/56/44/1080525644.db2.gz QIUMUOFMBNIYEW-XDNSSPFJSA-N 1 0 412.578 2.767 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807545700 1080762243 /nfs/dbraw/zinc/76/22/43/1080762243.db2.gz JNDCUDLCGVINFX-KGVIQGDOSA-N 1 0 408.546 2.567 20 10 HFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC001198228493 1126155544 /nfs/dbraw/zinc/15/55/44/1126155544.db2.gz GXMDSDXALFGIGH-QHCPKHFHSA-N 1 0 400.519 2.624 20 10 HFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461734997 1126196756 /nfs/dbraw/zinc/19/67/56/1126196756.db2.gz IBGKPAFIIYEOHE-QHCPKHFHSA-N 1 0 401.526 2.669 20 10 HFCDRO COCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790652234 1078094170 /nfs/dbraw/zinc/09/41/70/1078094170.db2.gz IUYUYPOZPGTNFX-UHFFFAOYSA-N 1 0 408.495 2.874 20 10 HFCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000793850332 1078323099 /nfs/dbraw/zinc/32/30/99/1078323099.db2.gz WVNRSXVCKLIHJP-VQIMIIECSA-N 1 0 400.523 2.722 20 10 HFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904377 1078333517 /nfs/dbraw/zinc/33/35/17/1078333517.db2.gz XJMAKTBNPWVTFH-WOJBJXKFSA-N 1 0 414.594 2.872 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC[N@H+](C)C3CCCC3)cc2)CC1 ZINC000804818675 1078659830 /nfs/dbraw/zinc/65/98/30/1078659830.db2.gz UWAIXEXDQMMQEY-UHFFFAOYSA-N 1 0 400.567 2.530 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1F ZINC000804852288 1078722335 /nfs/dbraw/zinc/72/23/35/1078722335.db2.gz GECGZZBFOOIYCN-FUHWJXTLSA-N 1 0 406.546 2.619 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000805022968 1078833480 /nfs/dbraw/zinc/83/34/80/1078833480.db2.gz KCGKMBNHYKBTHX-PMACEKPBSA-N 1 0 414.594 2.918 20 10 HFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@H]1C ZINC000805024091 1078837285 /nfs/dbraw/zinc/83/72/85/1078837285.db2.gz ACYPBHYTVDMHNO-KNQAVFIVSA-N 1 0 414.594 2.870 20 10 HFCDRO C[C@@H](CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+]1CCCCC1 ZINC000805025150 1078838018 /nfs/dbraw/zinc/83/80/18/1078838018.db2.gz IZYINHDOIUBJRF-FQEVSTJZSA-N 1 0 414.594 2.920 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)cc2F)CC1 ZINC000805009994 1078853662 /nfs/dbraw/zinc/85/36/62/1078853662.db2.gz RAPXZHOFPGLBKO-MBOZVWFJSA-N 1 0 418.557 2.525 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc2oc(=O)[nH]c2c1 ZINC000805194715 1078969641 /nfs/dbraw/zinc/96/96/41/1078969641.db2.gz PQEOPHVMCUBURM-UHFFFAOYSA-N 1 0 406.486 2.995 20 10 HFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000787318033 1076760485 /nfs/dbraw/zinc/76/04/85/1076760485.db2.gz BSACBLWSSRHGGK-HKUYNNGSSA-N 1 0 415.500 2.841 20 10 HFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000787318044 1076760509 /nfs/dbraw/zinc/76/05/09/1076760509.db2.gz BSACBLWSSRHGGK-PKOBYXMFSA-N 1 0 415.500 2.841 20 10 HFCDRO CC[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000787630492 1076884402 /nfs/dbraw/zinc/88/44/02/1076884402.db2.gz AZLVZCKEPMUBNJ-GCJKJVERSA-N 1 0 422.573 2.883 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000787636799 1076891255 /nfs/dbraw/zinc/89/12/55/1076891255.db2.gz ITDPCXBYORPNLK-LJQANCHMSA-N 1 0 401.482 2.689 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787754695 1076928393 /nfs/dbraw/zinc/92/83/93/1076928393.db2.gz GKOLHEBZMIXFNJ-HSZRJFAPSA-N 1 0 418.541 2.632 20 10 HFCDRO COc1ccc(N2CC[NH+]([C@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)cc1 ZINC000787732006 1076934422 /nfs/dbraw/zinc/93/44/22/1076934422.db2.gz VBQHEGGBGRAMHO-UGKGYDQZSA-N 1 0 405.539 2.578 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC3CCC4(CC3)OCCO4)cc2F)CC1 ZINC000788093527 1077056706 /nfs/dbraw/zinc/05/67/06/1077056706.db2.gz AKKDJTMJKIVGEN-UHFFFAOYSA-N 1 0 419.541 2.907 20 10 HFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000788541543 1077194693 /nfs/dbraw/zinc/19/46/93/1077194693.db2.gz DZMCWUWBKNYCJM-NVXWUHKLSA-N 1 0 420.497 2.987 20 10 HFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000788583110 1077212346 /nfs/dbraw/zinc/21/23/46/1077212346.db2.gz JKRWTJYIGKVRBJ-FPOVZHCZSA-N 1 0 424.545 2.617 20 10 HFCDRO CC(C)(C)n1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nn1 ZINC000790954323 1077253390 /nfs/dbraw/zinc/25/33/90/1077253390.db2.gz OSBXYVIJWBXJNW-UHFFFAOYSA-N 1 0 424.528 2.579 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000788928947 1077339802 /nfs/dbraw/zinc/33/98/02/1077339802.db2.gz OZPQAPTUJZPLCG-SFHVURJKSA-N 1 0 402.583 2.776 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000788953478 1077360889 /nfs/dbraw/zinc/36/08/89/1077360889.db2.gz BJXQFOVVHKWQCV-DENIHFKCSA-N 1 0 422.573 2.928 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000788954284 1077361388 /nfs/dbraw/zinc/36/13/88/1077361388.db2.gz JKSPSRTVYXQVPW-VXKWHMMOSA-N 1 0 408.546 2.711 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C)(C)C3CCC(O)CC3)CC2)cc1 ZINC000791302326 1077364354 /nfs/dbraw/zinc/36/43/54/1077364354.db2.gz WZJDCJULNJOILO-UHFFFAOYSA-N 1 0 417.594 2.901 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000788964269 1077364985 /nfs/dbraw/zinc/36/49/85/1077364985.db2.gz MBNGZSJIOGBMFV-UHFFFAOYSA-N 1 0 410.562 2.869 20 10 HFCDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000788931800 1077367437 /nfs/dbraw/zinc/36/74/37/1077367437.db2.gz GSZCGJHFGDIASK-UHFFFAOYSA-N 1 0 414.594 2.874 20 10 HFCDRO Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[NH+](C)C)cc1 ZINC000788935155 1077369080 /nfs/dbraw/zinc/36/90/80/1077369080.db2.gz BFADDQAVLYUFHB-QFIPXVFZSA-N 1 0 408.546 2.631 20 10 HFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788934776 1077369238 /nfs/dbraw/zinc/36/92/38/1077369238.db2.gz ZEMBOEFIRQDEOD-HSZRJFAPSA-N 1 0 420.557 2.636 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000788974779 1077380612 /nfs/dbraw/zinc/38/06/12/1077380612.db2.gz HEOWVXSXERBCFP-UHFFFAOYSA-N 1 0 414.525 2.666 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000788977286 1077381323 /nfs/dbraw/zinc/38/13/23/1077381323.db2.gz IFQQOWZUOMHMMG-UHFFFAOYSA-N 1 0 402.583 2.729 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000792183222 1077737676 /nfs/dbraw/zinc/73/76/76/1077737676.db2.gz GELQCNZVWWUTOS-KRWDZBQOSA-N 1 0 418.559 2.776 20 10 HFCDRO C[C@@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000792277183 1077792549 /nfs/dbraw/zinc/79/25/49/1077792549.db2.gz RHAJHHXHMZVHGR-LJQANCHMSA-N 1 0 417.575 2.636 20 10 HFCDRO CN(C)c1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000792780432 1077999473 /nfs/dbraw/zinc/99/94/73/1077999473.db2.gz PJXAHGURNJCQOB-UHFFFAOYSA-N 1 0 412.500 2.902 20 10 HFCDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCc3ccc(OC)cc3O)cc2)CC1 ZINC000792826180 1078006501 /nfs/dbraw/zinc/00/65/01/1078006501.db2.gz DJILNGMWSCEGHO-UHFFFAOYSA-N 1 0 412.534 2.538 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4nc(C)n(C)c4c3)CC2)cc1 ZINC000792863234 1078010830 /nfs/dbraw/zinc/01/08/30/1078010830.db2.gz LBSQUTQGJDOJAG-UHFFFAOYSA-N 1 0 421.545 2.832 20 10 HFCDRO COc1ccc(CNC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(O)c1 ZINC000792837638 1078012352 /nfs/dbraw/zinc/01/23/52/1078012352.db2.gz AMQZWTREBBNDDU-UHFFFAOYSA-N 1 0 412.534 2.802 20 10 HFCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000790436444 1078030694 /nfs/dbraw/zinc/03/06/94/1078030694.db2.gz YLZLWLWGXZTUIO-XFKSJGNHSA-N 1 0 421.557 2.681 20 10 HFCDRO CC(C)[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)(C)O ZINC000790442582 1078032932 /nfs/dbraw/zinc/03/29/32/1078032932.db2.gz NMUJLIZFBNYSSR-NRFANRHFSA-N 1 0 402.583 2.813 20 10 HFCDRO COc1ccc(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(O)c1 ZINC000792964841 1078037454 /nfs/dbraw/zinc/03/74/54/1078037454.db2.gz ILMWCJDWUDPZJL-OAHLLOKOSA-N 1 0 416.497 2.852 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806505770 1079756864 /nfs/dbraw/zinc/75/68/64/1079756864.db2.gz XMLPREHUNINIJF-PZJWPPBQSA-N 1 0 400.567 2.624 20 10 HFCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)C2)CC1 ZINC000807288596 1080454853 /nfs/dbraw/zinc/45/48/53/1080454853.db2.gz YEBKZQLETNDOIX-JOCHJYFZSA-N 1 0 424.589 2.650 20 10 HFCDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807292389 1080481938 /nfs/dbraw/zinc/48/19/38/1080481938.db2.gz XDLUIQKRHKSHJU-UHFFFAOYSA-N 1 0 424.589 2.842 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807546159 1080762303 /nfs/dbraw/zinc/76/23/03/1080762303.db2.gz QXODONYWZKBWKC-RXVVDRJESA-N 1 0 409.530 2.768 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(=O)NC1CCC2(CC2)CC1 ZINC000807554013 1080804442 /nfs/dbraw/zinc/80/44/42/1080804442.db2.gz PBEPSEAOHACTRF-UHFFFAOYSA-N 1 0 424.589 2.674 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@@H]3C[C@H](C)O)CC2)cc1 ZINC000790643874 1078091556 /nfs/dbraw/zinc/09/15/56/1078091556.db2.gz SCNKLQONIRTSKZ-PZJWPPBQSA-N 1 0 418.582 2.542 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3C[C@@H](C)O)cc2F)CC1 ZINC000790718412 1078107087 /nfs/dbraw/zinc/10/70/87/1078107087.db2.gz JUJJPQRYDBPPCW-IEBWSBKVSA-N 1 0 406.546 2.803 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(C)(C)C)C3)cc2F)CC1 ZINC000790719529 1078108400 /nfs/dbraw/zinc/10/84/00/1078108400.db2.gz ULEHLMBPSCXQMN-HXUWFJFHSA-N 1 0 406.546 2.924 20 10 HFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1O ZINC000793247967 1078109571 /nfs/dbraw/zinc/10/95/71/1078109571.db2.gz XDLGKIVDWZZLEO-GOSISDBHSA-N 1 0 405.930 2.665 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCC(OCCOC)CC3)cc2F)CC1 ZINC000793456029 1078192041 /nfs/dbraw/zinc/19/20/41/1078192041.db2.gz JYJZWHDIBHXMIF-UHFFFAOYSA-N 1 0 421.557 2.806 20 10 HFCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n(C)n1 ZINC000793521322 1078198168 /nfs/dbraw/zinc/19/81/68/1078198168.db2.gz KHMYIFAZZSUBGB-QGZVFWFLSA-N 1 0 409.513 2.835 20 10 HFCDRO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1 ZINC000793814067 1078315395 /nfs/dbraw/zinc/31/53/95/1078315395.db2.gz LZRSLXRYDOBSBP-UHFFFAOYSA-N 1 0 402.583 2.729 20 10 HFCDRO CCC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000793827762 1078319340 /nfs/dbraw/zinc/31/93/40/1078319340.db2.gz WXEAEFAEJNYPBM-UHFFFAOYSA-N 1 0 414.594 2.874 20 10 HFCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000793850331 1078323089 /nfs/dbraw/zinc/32/30/89/1078323089.db2.gz WVNRSXVCKLIHJP-QFBILLFUSA-N 1 0 400.523 2.722 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000793914255 1078336630 /nfs/dbraw/zinc/33/66/30/1078336630.db2.gz MTMWZFJSWZEZMU-CALCHBBNSA-N 1 0 402.583 2.550 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000793945444 1078354063 /nfs/dbraw/zinc/35/40/63/1078354063.db2.gz YEKLNIDSUDQSFX-QZTJIDSGSA-N 1 0 418.557 2.526 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1F ZINC000804852589 1078721318 /nfs/dbraw/zinc/72/13/18/1078721318.db2.gz KPXMOTUFTBUZRC-UHFFFAOYSA-N 1 0 406.546 2.526 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000804852285 1078722304 /nfs/dbraw/zinc/72/23/04/1078722304.db2.gz GAXUJOYKEXQQDT-SJORKVTESA-N 1 0 406.546 2.525 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000804852033 1078722934 /nfs/dbraw/zinc/72/29/34/1078722934.db2.gz XHJGRRDOFNPOOK-KRWDZBQOSA-N 1 0 406.546 2.526 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000804853082 1078724670 /nfs/dbraw/zinc/72/46/70/1078724670.db2.gz STWVGDDUMNBMDB-IBGZPJMESA-N 1 0 418.557 2.765 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCC(C)(C)C3)cc2F)CC1 ZINC000805007467 1078851874 /nfs/dbraw/zinc/85/18/74/1078851874.db2.gz SEHYUYPZNPUHSQ-SFHVURJKSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000805007434 1078852226 /nfs/dbraw/zinc/85/22/26/1078852226.db2.gz LPCPRTGHTMIWID-PKOBYXMFSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000805635796 1079190185 /nfs/dbraw/zinc/19/01/85/1079190185.db2.gz BFVXUOPMUQCRAP-LJQANCHMSA-N 1 0 412.578 2.696 20 10 HFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC000806145555 1079466642 /nfs/dbraw/zinc/46/66/42/1079466642.db2.gz CQZCQXKKZWJRLX-AWEZNQCLSA-N 1 0 413.883 2.973 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](OC)c3ccc(O)cc3)cc2F)CC1 ZINC000787331294 1076744252 /nfs/dbraw/zinc/74/42/52/1076744252.db2.gz HPHJKRGJPLDFLV-OAQYLSRUSA-N 1 0 401.482 2.677 20 10 HFCDRO CC1CC[NH+](CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000787664699 1076903876 /nfs/dbraw/zinc/90/38/76/1076903876.db2.gz RRAJFADWPBLHQJ-UHFFFAOYSA-N 1 0 401.551 2.902 20 10 HFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000787668161 1076904627 /nfs/dbraw/zinc/90/46/27/1076904627.db2.gz DFVRAIHPXFXBLE-GOSISDBHSA-N 1 0 401.551 2.902 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787708141 1076920812 /nfs/dbraw/zinc/92/08/12/1076920812.db2.gz RSBZPCBEWHZVMZ-BGYRXZFFSA-N 1 0 416.610 2.974 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cc(C)cnc3OC)CC2)cc1 ZINC000746737126 1077088127 /nfs/dbraw/zinc/08/81/27/1077088127.db2.gz URQJDOFMLGEKHW-UHFFFAOYSA-N 1 0 413.522 2.741 20 10 HFCDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCCO1 ZINC000788359026 1077124639 /nfs/dbraw/zinc/12/46/39/1077124639.db2.gz LWYFGWIHHDJLEV-PNHOKKKMSA-N 1 0 422.481 2.573 20 10 HFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000788564746 1077195307 /nfs/dbraw/zinc/19/53/07/1077195307.db2.gz YCBTYJUYYGKJLU-INIZCTEOSA-N 1 0 408.481 2.894 20 10 HFCDRO CCOc1ccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1 ZINC000788528863 1077203262 /nfs/dbraw/zinc/20/32/62/1077203262.db2.gz HKEBVGNZCYQAHO-LJQANCHMSA-N 1 0 416.493 2.737 20 10 HFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1 ZINC000788529396 1077204185 /nfs/dbraw/zinc/20/41/85/1077204185.db2.gz MMZWSZLRYDQDHM-LJQANCHMSA-N 1 0 416.493 2.737 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000788933300 1077367661 /nfs/dbraw/zinc/36/76/61/1077367661.db2.gz ULAGPFXZCMSDHV-UHFFFAOYSA-N 1 0 412.578 2.816 20 10 HFCDRO CO[C@@]1(C)CCC[N@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000791554754 1077476737 /nfs/dbraw/zinc/47/67/37/1077476737.db2.gz HBECAZWSSZQHHF-JKSBSHDWSA-N 1 0 407.530 2.556 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000789369476 1077541579 /nfs/dbraw/zinc/54/15/79/1077541579.db2.gz CRPNDMHZHJVSGP-HXUWFJFHSA-N 1 0 410.518 2.735 20 10 HFCDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cccc21 ZINC000789370424 1077542487 /nfs/dbraw/zinc/54/24/87/1077542487.db2.gz DGSKFUUSLDQGKR-OAQYLSRUSA-N 1 0 422.529 2.927 20 10 HFCDRO COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000789461027 1077582865 /nfs/dbraw/zinc/58/28/65/1077582865.db2.gz CJBNLLBDQOHALB-FZKQIMNGSA-N 1 0 413.474 2.602 20 10 HFCDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000791907624 1077591428 /nfs/dbraw/zinc/59/14/28/1077591428.db2.gz AIDVITCTHFLPDP-CYBMUJFWSA-N 1 0 409.442 2.830 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc([C@H]4CCOC4)cc3)CC2)cc1 ZINC000790135110 1077953846 /nfs/dbraw/zinc/95/38/46/1077953846.db2.gz LSIRWWPGQCCGPG-RBBKRZOGSA-N 1 0 412.530 2.761 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnc(OC)c(Cl)c3)CC2)cc1 ZINC000790164211 1077963855 /nfs/dbraw/zinc/96/38/55/1077963855.db2.gz YXBCTDAVDQORCW-UHFFFAOYSA-N 1 0 418.925 2.694 20 10 HFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C ZINC000792893012 1078018192 /nfs/dbraw/zinc/01/81/92/1078018192.db2.gz JTUSHTLQNGXVSN-DXIQSLLYSA-N 1 0 403.567 2.775 20 10 HFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000792941018 1078022403 /nfs/dbraw/zinc/02/24/03/1078022403.db2.gz QSUAAJHINQNMSQ-XMMPIXPASA-N 1 0 407.558 2.967 20 10 HFCDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792951940 1078033928 /nfs/dbraw/zinc/03/39/28/1078033928.db2.gz VPJONHLAKJELCQ-SFHVURJKSA-N 1 0 400.489 2.804 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806278781 1079541934 /nfs/dbraw/zinc/54/19/34/1079541934.db2.gz WUYULWHYQVXDRF-MRXNPFEDSA-N 1 0 410.609 2.655 20 10 HFCDRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000806511284 1079760798 /nfs/dbraw/zinc/76/07/98/1079760798.db2.gz GOECXEHRMALJIX-NRFANRHFSA-N 1 0 400.498 2.764 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000807095243 1080274093 /nfs/dbraw/zinc/27/40/93/1080274093.db2.gz BYQABXVPWFXPLT-HXUWFJFHSA-N 1 0 422.573 2.800 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807099526 1080278492 /nfs/dbraw/zinc/27/84/92/1080278492.db2.gz XYNHRDDXZWGSJE-UHFFFAOYSA-N 1 0 400.567 2.591 20 10 HFCDRO COc1cc(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1OC ZINC000807246899 1080402545 /nfs/dbraw/zinc/40/25/45/1080402545.db2.gz RHYMSIVETOFXBL-QGZVFWFLSA-N 1 0 405.539 2.626 20 10 HFCDRO COc1c(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775011602 1126109223 /nfs/dbraw/zinc/10/92/23/1126109223.db2.gz LSSKSCCGDYXBRO-GUYCJALGSA-N 1 0 400.353 2.933 20 10 HFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000793020547 1078051267 /nfs/dbraw/zinc/05/12/67/1078051267.db2.gz GRMNKLIZEFOKHW-AWEZNQCLSA-N 1 0 422.494 2.757 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3ccc4ccccc4c3=O)cc2F)CC1 ZINC000790554508 1078055063 /nfs/dbraw/zinc/05/50/63/1078055063.db2.gz OFSIQLUFBJISBN-UHFFFAOYSA-N 1 0 422.504 2.599 20 10 HFCDRO CCc1nn(C)c(CC)c1CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000790593497 1078063649 /nfs/dbraw/zinc/06/36/49/1078063649.db2.gz IXBBUIVPOLJQOK-UHFFFAOYSA-N 1 0 415.557 2.685 20 10 HFCDRO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cc4c(cc3O)OCO4)c2)C1=O ZINC000790609170 1078074647 /nfs/dbraw/zinc/07/46/47/1078074647.db2.gz JMGFIECIIVBQTF-QFIPXVFZSA-N 1 0 409.442 2.636 20 10 HFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 ZINC000793247803 1078109556 /nfs/dbraw/zinc/10/95/56/1078109556.db2.gz SXQGGZHYGJAIIR-QFIPXVFZSA-N 1 0 412.582 2.843 20 10 HFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Br)ccc1O ZINC000790755532 1078111361 /nfs/dbraw/zinc/11/13/61/1078111361.db2.gz AIXALJNQXODLDR-LBPRGKRZSA-N 1 0 414.321 2.772 20 10 HFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2ncccc2C(N)=O)C1 ZINC000793262375 1078113025 /nfs/dbraw/zinc/11/30/25/1078113025.db2.gz VFVUDVCNNVPUPC-UHFFFAOYSA-N 1 0 406.486 2.645 20 10 HFCDRO Cc1c(CN(C)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cnn1C ZINC000790799100 1078138314 /nfs/dbraw/zinc/13/83/14/1078138314.db2.gz IHOWKWUOZKLHIZ-UHFFFAOYSA-N 1 0 410.566 2.602 20 10 HFCDRO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793589390 1078217085 /nfs/dbraw/zinc/21/70/85/1078217085.db2.gz OMHBNCZIGZXKKM-CQSZACIVSA-N 1 0 413.337 2.774 20 10 HFCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000793907519 1078334311 /nfs/dbraw/zinc/33/43/11/1078334311.db2.gz FHEOIIRRRBAJLM-SFHVURJKSA-N 1 0 414.594 2.870 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793932034 1078341700 /nfs/dbraw/zinc/34/17/00/1078341700.db2.gz RJVBDPLUEAVUAU-GCJKJVERSA-N 1 0 420.557 2.637 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000804852266 1078721828 /nfs/dbraw/zinc/72/18/28/1078721828.db2.gz FMDYHCWKSWACGP-LJQANCHMSA-N 1 0 420.573 2.772 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000804852283 1078722416 /nfs/dbraw/zinc/72/24/16/1078722416.db2.gz GAXUJOYKEXQQDT-IAGOWNOFSA-N 1 0 406.546 2.525 20 10 HFCDRO COCC[NH+](CCOC)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000804966842 1078802812 /nfs/dbraw/zinc/80/28/12/1078802812.db2.gz FHWOKPRAIIZTMW-UHFFFAOYSA-N 1 0 418.582 2.556 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000805025979 1078837630 /nfs/dbraw/zinc/83/76/30/1078837630.db2.gz YHUGIIFBWZSNFQ-JOCHJYFZSA-N 1 0 412.578 2.626 20 10 HFCDRO C[C@H](CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+]1CCCCC1 ZINC000805025152 1078838024 /nfs/dbraw/zinc/83/80/24/1078838024.db2.gz IZYINHDOIUBJRF-HXUWFJFHSA-N 1 0 414.594 2.920 20 10 HFCDRO CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000805006767 1078851066 /nfs/dbraw/zinc/85/10/66/1078851066.db2.gz DWRXKMSSRMHXIQ-GOSISDBHSA-N 1 0 418.557 2.623 20 10 HFCDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805090011 1078916617 /nfs/dbraw/zinc/91/66/17/1078916617.db2.gz XGWXRPGEMQRYPX-UHFFFAOYSA-N 1 0 414.344 2.843 20 10 HFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000806128091 1079457588 /nfs/dbraw/zinc/45/75/88/1079457588.db2.gz NUXJAAOHNNEOFM-VQIMIIECSA-N 1 0 401.473 2.907 20 10 HFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000787318041 1076760670 /nfs/dbraw/zinc/76/06/70/1076760670.db2.gz BSACBLWSSRHGGK-MJGOQNOKSA-N 1 0 415.500 2.841 20 10 HFCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)CC1 ZINC000787318084 1076760731 /nfs/dbraw/zinc/76/07/31/1076760731.db2.gz CBRUXEXAJSORFY-NRFANRHFSA-N 1 0 412.578 2.626 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787749038 1076925656 /nfs/dbraw/zinc/92/56/56/1076925656.db2.gz AKBSCVOAUTVARF-QFIPXVFZSA-N 1 0 408.546 2.631 20 10 HFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000787751208 1076926311 /nfs/dbraw/zinc/92/63/11/1076926311.db2.gz KVWZXKFRPZXWMP-LJQANCHMSA-N 1 0 400.567 2.626 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752209 1076926872 /nfs/dbraw/zinc/92/68/72/1076926872.db2.gz SYLTVCCKSWZMDM-QHCPKHFHSA-N 1 0 420.557 2.856 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000787751679 1076927390 /nfs/dbraw/zinc/92/73/90/1076927390.db2.gz ODTZZJYLLDQXAT-PGRDOPGGSA-N 1 0 408.546 2.883 20 10 HFCDRO CC1CC[NH+](CCCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000787894470 1076981445 /nfs/dbraw/zinc/98/14/45/1076981445.db2.gz KUVGWLJEYCOVFF-UHFFFAOYSA-N 1 0 414.594 2.872 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787908847 1076991225 /nfs/dbraw/zinc/99/12/25/1076991225.db2.gz GYKLDWDEHZCUAK-QRVBRYPASA-N 1 0 402.583 2.804 20 10 HFCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000788541546 1077194650 /nfs/dbraw/zinc/19/46/50/1077194650.db2.gz DZMCWUWBKNYCJM-WBVHZDCISA-N 1 0 420.497 2.987 20 10 HFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788928631 1077339135 /nfs/dbraw/zinc/33/91/35/1077339135.db2.gz AWYRYLJGLZGNCK-XXBNENTESA-N 1 0 420.557 2.540 20 10 HFCDRO CCOC(=O)C1(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCC1 ZINC000788950201 1077359282 /nfs/dbraw/zinc/35/92/82/1077359282.db2.gz VGQJSGFHPKLIPL-UHFFFAOYSA-N 1 0 413.562 2.958 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788949918 1077359419 /nfs/dbraw/zinc/35/94/19/1077359419.db2.gz BGVGATIXZICXQV-JOCHJYFZSA-N 1 0 422.573 2.930 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000788953158 1077361254 /nfs/dbraw/zinc/36/12/54/1077361254.db2.gz ZFTCNEDRIGEQKO-AUSIDOKSSA-N 1 0 422.573 2.786 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](C4CC4)O[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000791554026 1077476019 /nfs/dbraw/zinc/47/60/19/1077476019.db2.gz QFPLLJSFWFRFNZ-FSTVOOFJSA-N 1 0 419.541 2.555 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)CCC(=O)OC(C)C)cc2F)CC1 ZINC000792076588 1077682701 /nfs/dbraw/zinc/68/27/01/1077682701.db2.gz UMEHMZNCQJNLNF-KRWDZBQOSA-N 1 0 422.545 2.887 20 10 HFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C[C@H](C2CC2)O1 ZINC000792157850 1077725669 /nfs/dbraw/zinc/72/56/69/1077725669.db2.gz NFHYTGKWVITBFG-WZONZLPQSA-N 1 0 412.578 2.928 20 10 HFCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000792157845 1077725722 /nfs/dbraw/zinc/72/57/22/1077725722.db2.gz NFHYTGKWVITBFG-MBSDFSHPSA-N 1 0 412.578 2.928 20 10 HFCDRO CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000792159949 1077726614 /nfs/dbraw/zinc/72/66/14/1077726614.db2.gz WDJIRIKHZRULCZ-HSZRJFAPSA-N 1 0 400.567 2.929 20 10 HFCDRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000789771405 1077771458 /nfs/dbraw/zinc/77/14/58/1077771458.db2.gz TYSZMLYMDGKSMG-HXUWFJFHSA-N 1 0 416.543 2.971 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cn(C)nc3-c3ccoc3)CC2)cc1 ZINC000789874540 1077831449 /nfs/dbraw/zinc/83/14/49/1077831449.db2.gz GFJLVDAWBXCXIC-UHFFFAOYSA-N 1 0 423.517 2.631 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccnn1CC(F)F ZINC000790010453 1077911412 /nfs/dbraw/zinc/91/14/12/1077911412.db2.gz RCOQHPZVWFQIBH-UHFFFAOYSA-N 1 0 403.477 2.610 20 10 HFCDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806510938 1079787967 /nfs/dbraw/zinc/78/79/67/1079787967.db2.gz BNSHEQRWPLYFKU-XXBNENTESA-N 1 0 408.546 2.985 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@]4(C3)CCCOC4)cc2F)CC1 ZINC000806750782 1079967257 /nfs/dbraw/zinc/96/72/57/1079967257.db2.gz YVNJJAJSPSOCFD-QFIPXVFZSA-N 1 0 404.530 2.680 20 10 HFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCC3([NH+](C)C)CCC3)cc2Cl)C1 ZINC000807027731 1080221515 /nfs/dbraw/zinc/22/15/15/1080221515.db2.gz YSIJORUXXNCHQA-INIZCTEOSA-N 1 0 420.985 2.793 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807095037 1080273142 /nfs/dbraw/zinc/27/31/42/1080273142.db2.gz IPAXRYXNKRMWNF-VWLOTQADSA-N 1 0 422.573 2.706 20 10 HFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807113099 1080289942 /nfs/dbraw/zinc/28/99/42/1080289942.db2.gz AZZCUBVSIMODTK-WMZHIEFXSA-N 1 0 422.573 2.738 20 10 HFCDRO CCC(CC)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCCC1 ZINC000807291637 1080479609 /nfs/dbraw/zinc/47/96/09/1080479609.db2.gz GHROLDXSOIELMG-JOCHJYFZSA-N 1 0 412.578 2.696 20 10 HFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC001474257075 1126203868 /nfs/dbraw/zinc/20/38/68/1126203868.db2.gz BPIPSZSDMIMLJP-XMMPIXPASA-N 1 0 414.546 2.748 20 10 HFCDRO CS(=O)(=O)c1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc(C(F)(F)F)c1 ZINC000790600430 1078064605 /nfs/dbraw/zinc/06/46/05/1078064605.db2.gz BTSLZOJSJVBVII-UHFFFAOYSA-N 1 0 403.378 2.833 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3C[C@H](C)O)cc2F)CC1 ZINC000790718417 1078107186 /nfs/dbraw/zinc/10/71/86/1078107186.db2.gz JUJJPQRYDBPPCW-PKOBYXMFSA-N 1 0 406.546 2.803 20 10 HFCDRO COc1ccc(O)c(C[NH2+]CC(=O)Nc2ccc(I)cc2)c1 ZINC000793608101 1078223940 /nfs/dbraw/zinc/22/39/40/1078223940.db2.gz UOUGCDYDLNFQGN-UHFFFAOYSA-N 1 0 412.227 2.734 20 10 HFCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000793847080 1078313426 /nfs/dbraw/zinc/31/34/26/1078313426.db2.gz OSSDSAVQYHGNFH-IBGZPJMESA-N 1 0 400.523 2.503 20 10 HFCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000793849769 1078323231 /nfs/dbraw/zinc/32/32/31/1078323231.db2.gz WVNRSXVCKLIHJP-APWZRJJASA-N 1 0 400.523 2.722 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793912223 1078335906 /nfs/dbraw/zinc/33/59/06/1078335906.db2.gz DHAFDXRPNTXMLV-ROUUACIJSA-N 1 0 402.583 2.584 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793912213 1078335937 /nfs/dbraw/zinc/33/59/37/1078335937.db2.gz DHAFDXRPNTXMLV-QZTJIDSGSA-N 1 0 402.583 2.584 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000793912286 1078336125 /nfs/dbraw/zinc/33/61/25/1078336125.db2.gz OZXXQHRJOOZALL-GUDVDZBRSA-N 1 0 402.583 2.584 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1F ZINC000804852767 1078721337 /nfs/dbraw/zinc/72/13/37/1078721337.db2.gz GFIIISTWVYALAO-MOPGFXCFSA-N 1 0 418.557 2.762 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1F ZINC000804852289 1078722435 /nfs/dbraw/zinc/72/24/35/1078722435.db2.gz GECGZZBFOOIYCN-SJLPKXTDSA-N 1 0 406.546 2.619 20 10 HFCDRO Cc1ccc([C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)[NH+]2CCCC2)cc1 ZINC000747217129 1078725777 /nfs/dbraw/zinc/72/57/77/1078725777.db2.gz KEOOEKLMJHTDQY-IBGZPJMESA-N 1 0 417.531 2.639 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000805022967 1078833390 /nfs/dbraw/zinc/83/33/90/1078833390.db2.gz KCGKMBNHYKBTHX-BGYRXZFFSA-N 1 0 414.594 2.918 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000805022697 1078833901 /nfs/dbraw/zinc/83/39/01/1078833901.db2.gz BBRLIVKCANCFNO-UHFFFAOYSA-N 1 0 414.594 2.729 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000805024942 1078836438 /nfs/dbraw/zinc/83/64/38/1078836438.db2.gz XWMXMCLVNBPQET-CTNGQTDRSA-N 1 0 400.567 2.528 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[C@H](C)CC3)cc2F)CC1 ZINC000805008061 1078853126 /nfs/dbraw/zinc/85/31/26/1078853126.db2.gz ZEICYALFUDZXRQ-PKOBYXMFSA-N 1 0 418.557 2.669 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(CN(CC[NH+]1CCCCCC1)C(C)C)cc2=O ZINC000805760333 1079261769 /nfs/dbraw/zinc/26/17/69/1079261769.db2.gz JEMNBAJWFZPICE-UHFFFAOYSA-N 1 0 403.527 2.698 20 10 HFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000805769055 1079270921 /nfs/dbraw/zinc/27/09/21/1079270921.db2.gz RDWCOUGJMGOYKQ-ZHRRBRCNSA-N 1 0 417.509 2.959 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000805940953 1079344258 /nfs/dbraw/zinc/34/42/58/1079344258.db2.gz IOOAMVLDCGLAAL-LJQANCHMSA-N 1 0 410.562 2.738 20 10 HFCDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000787306342 1076753985 /nfs/dbraw/zinc/75/39/85/1076753985.db2.gz VYHJYZDQKBSDCG-KSEOMHKRSA-N 1 0 407.624 2.832 20 10 HFCDRO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000787614121 1076878825 /nfs/dbraw/zinc/87/88/25/1076878825.db2.gz CEQKNQLCIQLFQN-JOCHJYFZSA-N 1 0 414.594 2.776 20 10 HFCDRO CC(C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCC(C)CC1 ZINC000787614921 1076879057 /nfs/dbraw/zinc/87/90/57/1076879057.db2.gz GOVUYQKIWGJNQY-QFIPXVFZSA-N 1 0 414.594 2.558 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000787708142 1076920794 /nfs/dbraw/zinc/92/07/94/1076920794.db2.gz RSBZPCBEWHZVMZ-PMACEKPBSA-N 1 0 416.610 2.974 20 10 HFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000787753804 1076927956 /nfs/dbraw/zinc/92/79/56/1076927956.db2.gz DHBKBWJFWJKULP-QFIPXVFZSA-N 1 0 408.546 2.664 20 10 HFCDRO COc1ccc(N2CC[NH+]([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)cc1 ZINC000787731996 1076934406 /nfs/dbraw/zinc/93/44/06/1076934406.db2.gz VBQHEGGBGRAMHO-DENIHFKCSA-N 1 0 405.539 2.578 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000787909601 1076990648 /nfs/dbraw/zinc/99/06/48/1076990648.db2.gz ISYDRWUOMVKWJK-KDURUIRLSA-N 1 0 402.583 2.585 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000787909283 1076990907 /nfs/dbraw/zinc/99/09/07/1076990907.db2.gz MFMXJYQEEFFQLU-IBGZPJMESA-N 1 0 402.583 2.729 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1C[C@@H](OCC)C13CCCCC3)cc2=O ZINC000787994680 1077021371 /nfs/dbraw/zinc/02/13/71/1077021371.db2.gz FARUZWWGJBLMFJ-IAGOWNOFSA-N 1 0 402.495 2.829 20 10 HFCDRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCSC1 ZINC000788241194 1077085164 /nfs/dbraw/zinc/08/51/64/1077085164.db2.gz CNSIZAVIXKVTSQ-JOCHJYFZSA-N 1 0 419.591 2.607 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000788565457 1077208141 /nfs/dbraw/zinc/20/81/41/1077208141.db2.gz VOODJPXOGUGUEW-SIKLNZKXSA-N 1 0 412.578 2.815 20 10 HFCDRO COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000788615765 1077229295 /nfs/dbraw/zinc/22/92/95/1077229295.db2.gz YWRLZECJLJGGQF-UHFFFAOYSA-N 1 0 403.548 2.704 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788953486 1077360960 /nfs/dbraw/zinc/36/09/60/1077360960.db2.gz CAOHFQYYBISQST-QFIPXVFZSA-N 1 0 422.573 2.787 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000788954472 1077361422 /nfs/dbraw/zinc/36/14/22/1077361422.db2.gz KGOXLCMEVKEZJP-GBESFXJTSA-N 1 0 402.583 2.632 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788954891 1077361936 /nfs/dbraw/zinc/36/19/36/1077361936.db2.gz NZALGVBXCWQXME-QHCPKHFHSA-N 1 0 422.573 2.882 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788935796 1077369952 /nfs/dbraw/zinc/36/99/52/1077369952.db2.gz FSDVRMBASFBIMC-SIKLNZKXSA-N 1 0 420.557 2.855 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000788977896 1077381764 /nfs/dbraw/zinc/38/17/64/1077381764.db2.gz SKPRZXQFVZLYBR-RTWAWAEBSA-N 1 0 400.567 2.623 20 10 HFCDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cccc21 ZINC000789533379 1077628390 /nfs/dbraw/zinc/62/83/90/1077628390.db2.gz FPAPCRFCMXZKHA-NRFANRHFSA-N 1 0 420.513 2.703 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)O[C@H](C4CC4)C3)cc2F)CC1 ZINC000792072769 1077679397 /nfs/dbraw/zinc/67/93/97/1077679397.db2.gz AEBQZOCRSFAVNW-IERDGZPVSA-N 1 0 404.530 2.677 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789657769 1077722879 /nfs/dbraw/zinc/72/28/79/1077722879.db2.gz BROVEHWNIGTHAH-QFIPXVFZSA-N 1 0 422.573 2.882 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC000792305567 1077797514 /nfs/dbraw/zinc/79/75/14/1077797514.db2.gz ADYBRUUJTQJYRU-QFIPXVFZSA-N 1 0 415.965 2.890 20 10 HFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(=O)N4CCOCC4)c(F)c3)cc2)CC1 ZINC000789879699 1077834215 /nfs/dbraw/zinc/83/42/15/1077834215.db2.gz ZSJQDHCMKNZWQT-UHFFFAOYSA-N 1 0 412.509 2.662 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)COC3CCC(C)CC3)CC2)cc1 ZINC000792864217 1078011074 /nfs/dbraw/zinc/01/10/74/1078011074.db2.gz YVTUQWNGWCWPSK-UHFFFAOYSA-N 1 0 403.567 2.919 20 10 HFCDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000792930686 1078027906 /nfs/dbraw/zinc/02/79/06/1078027906.db2.gz CHPWIYQOPLFTGH-UHFFFAOYSA-N 1 0 415.481 2.981 20 10 HFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000806253945 1079522737 /nfs/dbraw/zinc/52/27/37/1079522737.db2.gz YCCIBQNMZHHGEY-FQEVSTJZSA-N 1 0 402.583 2.872 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(-n4cccc4)ccn3)CC2)cc1 ZINC000806320317 1079592378 /nfs/dbraw/zinc/59/23/78/1079592378.db2.gz GACDQPSEPQOKLZ-UHFFFAOYSA-N 1 0 419.529 2.823 20 10 HFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806457251 1079726609 /nfs/dbraw/zinc/72/66/09/1079726609.db2.gz HLJXKZZLOAQYLP-AEFFLSMTSA-N 1 0 404.530 2.555 20 10 HFCDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000806513040 1079788522 /nfs/dbraw/zinc/78/85/22/1079788522.db2.gz XVLFOWHSZILAFP-JOCHJYFZSA-N 1 0 412.534 2.634 20 10 HFCDRO COc1ccc(N2CCN(CCNC(=O)NC(C)(C)c3c(C)noc3C)CC2)cc1 ZINC000806620428 1079859663 /nfs/dbraw/zinc/85/96/63/1079859663.db2.gz WESKOQRUKOTXCZ-UHFFFAOYSA-N 1 0 415.538 2.657 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(CCOC)ccn3)cc2F)CC1 ZINC000806658501 1079875921 /nfs/dbraw/zinc/87/59/21/1079875921.db2.gz UMKGJMIZSDENAX-UHFFFAOYSA-N 1 0 415.513 2.873 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000806788716 1080009515 /nfs/dbraw/zinc/00/95/15/1080009515.db2.gz HHXGCFBHVKPDON-DYESRHJHSA-N 1 0 400.567 2.843 20 10 HFCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000806788723 1080009542 /nfs/dbraw/zinc/00/95/42/1080009542.db2.gz HHXGCFBHVKPDON-UWJYYQICSA-N 1 0 400.567 2.843 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCOC[C@H]1CC(F)F ZINC000807063679 1080245675 /nfs/dbraw/zinc/24/56/75/1080245675.db2.gz XMCYERXMTZTIPZ-HXUWFJFHSA-N 1 0 422.520 2.784 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000807096186 1080275337 /nfs/dbraw/zinc/27/53/37/1080275337.db2.gz IYOZJGHSBSCSJR-FQEVSTJZSA-N 1 0 414.594 2.648 20 10 HFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807113097 1080289776 /nfs/dbraw/zinc/28/97/76/1080289776.db2.gz AZZCUBVSIMODTK-AUSIDOKSSA-N 1 0 422.573 2.738 20 10 HFCDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807387256 1080581632 /nfs/dbraw/zinc/58/16/32/1080581632.db2.gz FYDUJLVGGCGKQM-UHFFFAOYSA-N 1 0 420.307 2.514 20 10 HFCDRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc4c(cc3O)OCO4)cc2)C1=O ZINC000790609083 1078074390 /nfs/dbraw/zinc/07/43/90/1078074390.db2.gz HWDUFDFZKQDZTM-JOCHJYFZSA-N 1 0 409.442 2.636 20 10 HFCDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cccc(O)c2O)CC1 ZINC000790781375 1078132638 /nfs/dbraw/zinc/13/26/38/1078132638.db2.gz WHKGFNSZANQOAE-UHFFFAOYSA-N 1 0 409.408 2.798 20 10 HFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790787430 1078134536 /nfs/dbraw/zinc/13/45/36/1078134536.db2.gz FDWGZEZUZUDVLM-XLIONFOSSA-N 1 0 414.893 2.714 20 10 HFCDRO COc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl ZINC000793538820 1078206801 /nfs/dbraw/zinc/20/68/01/1078206801.db2.gz COWKZWKEHIPKCK-CQSZACIVSA-N 1 0 409.939 2.829 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000793727998 1078268487 /nfs/dbraw/zinc/26/84/87/1078268487.db2.gz XIXRNZOKGYZLFN-QFIPXVFZSA-N 1 0 424.589 2.779 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000793815651 1078316171 /nfs/dbraw/zinc/31/61/71/1078316171.db2.gz WXLNFIYYLVOCMP-MBSDFSHPSA-N 1 0 402.583 2.728 20 10 HFCDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000793912240 1078335875 /nfs/dbraw/zinc/33/58/75/1078335875.db2.gz ORKFLTUYADARDZ-CEXWTWQISA-N 1 0 414.594 2.726 20 10 HFCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000793912248 1078336075 /nfs/dbraw/zinc/33/60/75/1078336075.db2.gz ORKFLTUYADARDZ-QRVBRYPASA-N 1 0 414.594 2.726 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793916033 1078337397 /nfs/dbraw/zinc/33/73/97/1078337397.db2.gz VHSPGQQZOYWVAH-HUUCEWRRSA-N 1 0 412.625 2.614 20 10 HFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446622 1078513662 /nfs/dbraw/zinc/51/36/62/1078513662.db2.gz LVQPOVKNKDESHK-XYBJCVHJSA-N 1 0 407.514 2.530 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000804695910 1078537693 /nfs/dbraw/zinc/53/76/93/1078537693.db2.gz XDNZWGPBFITXSA-SFHVURJKSA-N 1 0 410.562 2.923 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCC(C)(C)C)cc2F)CC1 ZINC000804524710 1078564359 /nfs/dbraw/zinc/56/43/59/1078564359.db2.gz FEPKWKWFUOYQNW-UHFFFAOYSA-N 1 0 406.546 2.526 20 10 HFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805024765 1078836846 /nfs/dbraw/zinc/83/68/46/1078836846.db2.gz VMAKRYIFAKPDCS-FQEVSTJZSA-N 1 0 400.567 2.530 20 10 HFCDRO CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000805006768 1078851015 /nfs/dbraw/zinc/85/10/15/1078851015.db2.gz DWRXKMSSRMHXIQ-SFHVURJKSA-N 1 0 418.557 2.623 20 10 HFCDRO CC[C@@H]1CCCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000805007390 1078852247 /nfs/dbraw/zinc/85/22/47/1078852247.db2.gz KBUFOGAPTULYGO-LJQANCHMSA-N 1 0 418.557 2.765 20 10 HFCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805637710 1079191634 /nfs/dbraw/zinc/19/16/34/1079191634.db2.gz YOTLFFBMSCNVFO-GOSISDBHSA-N 1 0 402.583 2.728 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC000805804943 1079282160 /nfs/dbraw/zinc/28/21/60/1079282160.db2.gz HXTGUKPGSRZOSK-LJQANCHMSA-N 1 0 401.938 2.847 20 10 HFCDRO C[C@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805821631 1079292596 /nfs/dbraw/zinc/29/25/96/1079292596.db2.gz LWCDSRSZUJVPJF-GHTZIAJQSA-N 1 0 400.567 2.690 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](OC)c3ccc(O)cc3)cc2F)CC1 ZINC000787331291 1076744489 /nfs/dbraw/zinc/74/44/89/1076744489.db2.gz HPHJKRGJPLDFLV-NRFANRHFSA-N 1 0 401.482 2.677 20 10 HFCDRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787617870 1076880321 /nfs/dbraw/zinc/88/03/21/1076880321.db2.gz UPLGVAWFKWGSGE-RXVVDRJESA-N 1 0 402.583 2.803 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787908843 1076991255 /nfs/dbraw/zinc/99/12/55/1076991255.db2.gz GYKLDWDEHZCUAK-OTWHNJEPSA-N 1 0 402.583 2.804 20 10 HFCDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CCCO1 ZINC000788360659 1077125552 /nfs/dbraw/zinc/12/55/52/1077125552.db2.gz ZPRIKPDWBGNLJD-PUCZYUMASA-N 1 0 422.481 2.573 20 10 HFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1 ZINC000788529395 1077204220 /nfs/dbraw/zinc/20/42/20/1077204220.db2.gz MMZWSZLRYDQDHM-IBGZPJMESA-N 1 0 416.493 2.737 20 10 HFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000788583112 1077212240 /nfs/dbraw/zinc/21/22/40/1077212240.db2.gz JKRWTJYIGKVRBJ-TZIWHRDSSA-N 1 0 424.545 2.617 20 10 HFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000788607703 1077222527 /nfs/dbraw/zinc/22/25/27/1077222527.db2.gz MHFOSRGHOFDXNL-FGTMMUONSA-N 1 0 400.972 2.955 20 10 HFCDRO O=C(NCc1cnc2n1CCCC2)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000790971349 1077259439 /nfs/dbraw/zinc/25/94/39/1077259439.db2.gz KZXJURVTLOACMO-UHFFFAOYSA-N 1 0 422.577 2.751 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](COC)c3ccco3)cc2F)CC1 ZINC000746760996 1077278217 /nfs/dbraw/zinc/27/82/17/1077278217.db2.gz OPLLTKAVIFVFPD-GOSISDBHSA-N 1 0 404.486 2.748 20 10 HFCDRO CN(c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1)C1CCCCC1 ZINC000788793704 1077290115 /nfs/dbraw/zinc/29/01/15/1077290115.db2.gz CRSZIVOTTSBLTB-LJQANCHMSA-N 1 0 412.578 2.672 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000788954474 1077361532 /nfs/dbraw/zinc/36/15/32/1077361532.db2.gz KGOXLCMEVKEZJP-GUDVDZBRSA-N 1 0 402.583 2.632 20 10 HFCDRO CCc1csc(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000791299910 1077361713 /nfs/dbraw/zinc/36/17/13/1077361713.db2.gz FNJGJGRLGRVXQD-UHFFFAOYSA-N 1 0 402.564 2.585 20 10 HFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000788939448 1077371064 /nfs/dbraw/zinc/37/10/64/1077371064.db2.gz ULFIUEGJXYNTKT-UHFFFAOYSA-N 1 0 420.557 2.638 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000788978631 1077381663 /nfs/dbraw/zinc/38/16/63/1077381663.db2.gz PZXYJQGYRUUBAY-JOCHJYFZSA-N 1 0 410.562 2.877 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000788978632 1077381705 /nfs/dbraw/zinc/38/17/05/1077381705.db2.gz PZXYJQGYRUUBAY-QFIPXVFZSA-N 1 0 410.562 2.877 20 10 HFCDRO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000789461029 1077582917 /nfs/dbraw/zinc/58/29/17/1077582917.db2.gz CJBNLLBDQOHALB-UGSOOPFHSA-N 1 0 413.474 2.602 20 10 HFCDRO Cc1cccc(CCNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000792156598 1077725437 /nfs/dbraw/zinc/72/54/37/1077725437.db2.gz HGOXJJRHSRDGKB-UHFFFAOYSA-N 1 0 407.562 2.964 20 10 HFCDRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000790011714 1077911790 /nfs/dbraw/zinc/91/17/90/1077911790.db2.gz VKHPZQPOGPKUSO-QGZVFWFLSA-N 1 0 403.548 2.624 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cc2)CC1 ZINC000780429229 1077927726 /nfs/dbraw/zinc/92/77/26/1077927726.db2.gz YTVIPRRAXMXTIV-IBGZPJMESA-N 1 0 402.583 2.910 20 10 HFCDRO CCn1ccc(CN(C)C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000790123480 1077958420 /nfs/dbraw/zinc/95/84/20/1077958420.db2.gz HBNFDYUAORQGMN-UHFFFAOYSA-N 1 0 413.566 2.870 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000792863219 1078010736 /nfs/dbraw/zinc/01/07/36/1078010736.db2.gz KOOGVLUJQLVPAT-KNQAVFIVSA-N 1 0 403.567 2.919 20 10 HFCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000806280046 1079542462 /nfs/dbraw/zinc/54/24/62/1079542462.db2.gz IJISUBUJVPQDFC-RDJZCZTQSA-N 1 0 418.588 2.521 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000806282290 1079546498 /nfs/dbraw/zinc/54/64/98/1079546498.db2.gz JTTPKQUWGSYHSK-UHFFFAOYSA-N 1 0 424.636 2.856 20 10 HFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000806253107 1079549005 /nfs/dbraw/zinc/54/90/05/1079549005.db2.gz ADCOAROABBACTM-HXUWFJFHSA-N 1 0 402.583 2.870 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806425878 1079671071 /nfs/dbraw/zinc/67/10/71/1079671071.db2.gz RISAQEAKXMQLLZ-NRFANRHFSA-N 1 0 409.530 2.912 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3nccc(C(F)F)n3)cc2F)CC1 ZINC000806750591 1079964937 /nfs/dbraw/zinc/96/49/37/1079964937.db2.gz VVCJXLIWFBAUOI-UHFFFAOYSA-N 1 0 422.455 2.695 20 10 HFCDRO O=C(NCc1cc(Br)ccc1O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806814295 1080027461 /nfs/dbraw/zinc/02/74/61/1080027461.db2.gz NMGQLUKQOBDKQW-MRXNPFEDSA-N 1 0 412.328 2.597 20 10 HFCDRO CCC(CC)[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[NH+]1CCCC1 ZINC000807100730 1080279939 /nfs/dbraw/zinc/27/99/39/1080279939.db2.gz PMXFIPOJXFIMNG-OAQYLSRUSA-N 1 0 402.583 2.694 20 10 HFCDRO Cc1cc(=O)c(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1C1CC1 ZINC000807184587 1080379295 /nfs/dbraw/zinc/37/92/95/1080379295.db2.gz QYMMEETULOWZIX-UHFFFAOYSA-N 1 0 420.557 2.954 20 10 HFCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807286804 1080449538 /nfs/dbraw/zinc/44/95/38/1080449538.db2.gz AJGQFSZENVJWKU-RBBKRZOGSA-N 1 0 424.589 2.792 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC(C)(C)[C@@H]3c3cccnc3)CC2)cc1 ZINC000793000142 1078044796 /nfs/dbraw/zinc/04/47/96/1078044796.db2.gz TYJBFQPCGVJWSG-GMAHTHKFSA-N 1 0 410.562 2.656 20 10 HFCDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000790539791 1078046115 /nfs/dbraw/zinc/04/61/15/1078046115.db2.gz USHXMGYERDYCAQ-FQEVSTJZSA-N 1 0 406.546 2.706 20 10 HFCDRO CCC[NH+]1CCC(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000793827806 1078319423 /nfs/dbraw/zinc/31/94/23/1078319423.db2.gz XJRBVYQHEHOYHJ-UHFFFAOYSA-N 1 0 402.583 2.728 20 10 HFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904367 1078333470 /nfs/dbraw/zinc/33/34/70/1078333470.db2.gz XJMAKTBNPWVTFH-PMACEKPBSA-N 1 0 414.594 2.872 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000793916108 1078337422 /nfs/dbraw/zinc/33/74/22/1078337422.db2.gz XBPNRIHQNKEDRV-FGTMMUONSA-N 1 0 402.583 2.803 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793916031 1078337472 /nfs/dbraw/zinc/33/74/72/1078337472.db2.gz VHSPGQQZOYWVAH-GASCZTMLSA-N 1 0 412.625 2.614 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793932393 1078341855 /nfs/dbraw/zinc/34/18/55/1078341855.db2.gz SMCPEFQKZSNWTH-NQIIRXRSSA-N 1 0 408.546 2.663 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000793928420 1078340290 /nfs/dbraw/zinc/34/02/90/1078340290.db2.gz BKZOTGKRFFUMPO-UEXGIBASSA-N 1 0 408.546 2.882 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793933229 1078342145 /nfs/dbraw/zinc/34/21/45/1078342145.db2.gz ZLNJTCRQQFZKPE-DOTOQJQBSA-N 1 0 418.588 2.693 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCCC(C)(C)C)cc2F)CC1 ZINC000804721150 1078560795 /nfs/dbraw/zinc/56/07/95/1078560795.db2.gz WJJJUMMUYHOXOE-UHFFFAOYSA-N 1 0 420.573 2.916 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cc2)CC1 ZINC000805026268 1078839326 /nfs/dbraw/zinc/83/93/26/1078839326.db2.gz HXNGVTYJZZRZFK-JOCHJYFZSA-N 1 0 412.578 2.672 20 10 HFCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000805637225 1079190175 /nfs/dbraw/zinc/19/01/75/1079190175.db2.gz JVDHBXXHYVHVFZ-LJQANCHMSA-N 1 0 414.594 2.920 20 10 HFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cccc(-n4ccnn4)c3)CC2)cc1 ZINC000806133518 1079435097 /nfs/dbraw/zinc/43/50/97/1079435097.db2.gz ALILLVYUEYRZOW-IBGZPJMESA-N 1 0 406.534 2.749 20 10 HFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170620 1079461418 /nfs/dbraw/zinc/46/14/18/1079461418.db2.gz XLGUDFHRHMTHIN-KUHUBIRLSA-N 1 0 400.475 2.870 20 10 HFCDRO COc1cc(N2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)cc(OC)c1OC ZINC000787521708 1076846336 /nfs/dbraw/zinc/84/63/36/1076846336.db2.gz ULXNPPWLDDFBPU-UHFFFAOYSA-N 1 0 419.566 2.873 20 10 HFCDRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)n2)CC1 ZINC000787555924 1076858423 /nfs/dbraw/zinc/85/84/23/1076858423.db2.gz RNPFYWNSRAMNBQ-UHFFFAOYSA-N 1 0 424.549 2.894 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000787640944 1076892813 /nfs/dbraw/zinc/89/28/13/1076892813.db2.gz RWCFUXYOJFUVRR-FQEVSTJZSA-N 1 0 416.591 2.972 20 10 HFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000787690965 1076913764 /nfs/dbraw/zinc/91/37/64/1076913764.db2.gz PJQVKOWBCGTYSK-MRXNPFEDSA-N 1 0 414.516 2.963 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000787909030 1076991266 /nfs/dbraw/zinc/99/12/66/1076991266.db2.gz HHLNSEIPOKAYJQ-OALUTQOASA-N 1 0 414.594 2.560 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000787896788 1077003599 /nfs/dbraw/zinc/00/35/99/1077003599.db2.gz ZFFNZBOUPJVUPL-UHFFFAOYSA-N 1 0 402.583 2.729 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCC3CCCC3)cc2F)CC1 ZINC000788220977 1077082018 /nfs/dbraw/zinc/08/20/18/1077082018.db2.gz YHAFVNHLAUFBKU-UHFFFAOYSA-N 1 0 418.557 2.670 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000788465180 1077168347 /nfs/dbraw/zinc/16/83/47/1077168347.db2.gz ZIZZVVAUJMDEDA-UHFFFAOYSA-N 1 0 410.562 2.869 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCN[C@@H](c3cn[nH]n3)c3ccc(F)cc3)CC2)cc1 ZINC000788505955 1077185516 /nfs/dbraw/zinc/18/55/16/1077185516.db2.gz LFSROUSQJDJVNJ-HSZRJFAPSA-N 1 0 424.524 2.844 20 10 HFCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000788541544 1077194699 /nfs/dbraw/zinc/19/46/99/1077194699.db2.gz DZMCWUWBKNYCJM-RDJZCZTQSA-N 1 0 420.497 2.987 20 10 HFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000788563183 1077201783 /nfs/dbraw/zinc/20/17/83/1077201783.db2.gz OHDKLAVOEBCKHG-NRFANRHFSA-N 1 0 423.540 2.953 20 10 HFCDRO CCOc1ccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1 ZINC000788528862 1077203194 /nfs/dbraw/zinc/20/31/94/1077203194.db2.gz HKEBVGNZCYQAHO-IBGZPJMESA-N 1 0 416.493 2.737 20 10 HFCDRO CCOc1cccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1O ZINC000788528912 1077203206 /nfs/dbraw/zinc/20/32/06/1077203206.db2.gz JQZKPQMLKWDJSS-IBGZPJMESA-N 1 0 416.493 2.737 20 10 HFCDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000746758236 1077263339 /nfs/dbraw/zinc/26/33/39/1077263339.db2.gz UUWWDBVOFVMIGW-DENIHFKCSA-N 1 0 418.582 2.727 20 10 HFCDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000746758238 1077263345 /nfs/dbraw/zinc/26/33/45/1077263345.db2.gz UUWWDBVOFVMIGW-KNQAVFIVSA-N 1 0 418.582 2.727 20 10 HFCDRO COc1ccc(N2CCCN(CN3C(=O)C[C@H](Cc4ccccc4)C3=O)CC2)cc1 ZINC000788769513 1077282207 /nfs/dbraw/zinc/28/22/07/1077282207.db2.gz ASBCKZMPNIFULO-FQEVSTJZSA-N 1 0 407.514 2.783 20 10 HFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788928619 1077339177 /nfs/dbraw/zinc/33/91/77/1077339177.db2.gz AWYRYLJGLZGNCK-AUSIDOKSSA-N 1 0 420.557 2.540 20 10 HFCDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788929938 1077340953 /nfs/dbraw/zinc/34/09/53/1077340953.db2.gz NRVSVKVJDKKDOF-UHFFFAOYSA-N 1 0 422.573 2.536 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000788953849 1077361718 /nfs/dbraw/zinc/36/17/18/1077361718.db2.gz DBGMQHFXCZFYJK-OAQYLSRUSA-N 1 0 400.567 2.626 20 10 HFCDRO CCC(CC)[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCCC1 ZINC000788935781 1077370019 /nfs/dbraw/zinc/37/00/19/1077370019.db2.gz FHOLESVTCZNNRM-QFIPXVFZSA-N 1 0 414.594 2.920 20 10 HFCDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000788940707 1077371324 /nfs/dbraw/zinc/37/13/24/1077371324.db2.gz YICZVCFGJRBBHX-UHFFFAOYSA-N 1 0 414.594 2.777 20 10 HFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798990 1077904320 /nfs/dbraw/zinc/90/43/20/1077904320.db2.gz VNCCWPDLGTWMLO-HOTGVXAUSA-N 1 0 419.547 2.518 20 10 HFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000746875887 1077949941 /nfs/dbraw/zinc/94/99/41/1077949941.db2.gz DGZZWWKESRJEAH-SFHVURJKSA-N 1 0 412.534 2.753 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 ZINC000792924142 1078027190 /nfs/dbraw/zinc/02/71/90/1078027190.db2.gz HVQOMLATOXBCMJ-ZYOFANERSA-N 1 0 419.541 2.699 20 10 HFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806254077 1079522080 /nfs/dbraw/zinc/52/20/80/1079522080.db2.gz QUPCJBBBHSKKOW-IBGZPJMESA-N 1 0 413.518 2.895 20 10 HFCDRO O=C(NCCCSc1nccs1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000806282471 1079545972 /nfs/dbraw/zinc/54/59/72/1079545972.db2.gz LTWXNPHIBFVZTR-UHFFFAOYSA-N 1 0 424.636 2.904 20 10 HFCDRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000806458636 1079732267 /nfs/dbraw/zinc/73/22/67/1079732267.db2.gz ZREQVNXLIPBESW-HXUWFJFHSA-N 1 0 418.488 2.904 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806505771 1079756828 /nfs/dbraw/zinc/75/68/28/1079756828.db2.gz XMLPREHUNINIJF-TZIWHRDSSA-N 1 0 400.567 2.624 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3ccc4c[nH]nc4c3)cc2F)CC1 ZINC000806750742 1079964493 /nfs/dbraw/zinc/96/44/93/1079964493.db2.gz XMHZVDAGPQIJGY-UHFFFAOYSA-N 1 0 424.524 2.886 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3nc(C)no3)cc2F)CC1 ZINC000806750801 1079967324 /nfs/dbraw/zinc/96/73/24/1079967324.db2.gz ZJAACAJYXAFEKN-LJQANCHMSA-N 1 0 416.501 2.706 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806790468 1080011000 /nfs/dbraw/zinc/01/10/00/1080011000.db2.gz YFZLBHJDFITAQO-NRFANRHFSA-N 1 0 400.567 2.591 20 10 HFCDRO Cc1noc([C@@H]2CCCN2C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000807063756 1080245084 /nfs/dbraw/zinc/24/50/84/1080245084.db2.gz ZTQVNZVDAATIPX-NRFANRHFSA-N 1 0 424.549 2.957 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCOC[C@@H]1CC(F)F ZINC000807063678 1080245457 /nfs/dbraw/zinc/24/54/57/1080245457.db2.gz XMCYERXMTZTIPZ-FQEVSTJZSA-N 1 0 422.520 2.784 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000807095242 1080274269 /nfs/dbraw/zinc/27/42/69/1080274269.db2.gz BYQABXVPWFXPLT-FQEVSTJZSA-N 1 0 422.573 2.800 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807096977 1080274834 /nfs/dbraw/zinc/27/48/34/1080274834.db2.gz JFYWZOSQUXSARU-QHCPKHFHSA-N 1 0 422.573 2.704 20 10 HFCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)C2)CC1 ZINC000807288597 1080454715 /nfs/dbraw/zinc/45/47/15/1080454715.db2.gz YEBKZQLETNDOIX-QFIPXVFZSA-N 1 0 424.589 2.650 20 10 HFCDRO COc1ccc(CNC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c(O)c1 ZINC000793037917 1078053684 /nfs/dbraw/zinc/05/36/84/1078053684.db2.gz LXAULTORHVMPIA-UHFFFAOYSA-N 1 0 413.518 2.917 20 10 HFCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793078335 1078063444 /nfs/dbraw/zinc/06/34/44/1078063444.db2.gz UZGSUCAZINXGOX-UHFFFAOYSA-N 1 0 407.502 2.923 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3OC)cc2F)CC1 ZINC000793455326 1078192291 /nfs/dbraw/zinc/19/22/91/1078192291.db2.gz CEBDGFZTTWUHNC-UHFFFAOYSA-N 1 0 416.453 2.814 20 10 HFCDRO C[N@H+](CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1ccccc1 ZINC000793838825 1078311280 /nfs/dbraw/zinc/31/12/80/1078311280.db2.gz MJGZGBUCJSHSAP-UHFFFAOYSA-N 1 0 421.497 2.762 20 10 HFCDRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000793826025 1078318709 /nfs/dbraw/zinc/31/87/09/1078318709.db2.gz QNXKRERSRXHYCR-UHFFFAOYSA-N 1 0 414.594 2.777 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793928424 1078340345 /nfs/dbraw/zinc/34/03/45/1078340345.db2.gz BKZOTGKRFFUMPO-WFXMLNOXSA-N 1 0 408.546 2.882 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000793900089 1078344024 /nfs/dbraw/zinc/34/40/24/1078344024.db2.gz DZDZEXWBNMQBSK-RBUKOAKNSA-N 1 0 402.583 2.728 20 10 HFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000804644263 1078698340 /nfs/dbraw/zinc/69/83/40/1078698340.db2.gz FFZNVTWAHIWKJW-AYHJJNSGSA-N 1 0 414.575 2.969 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC000804852491 1078721783 /nfs/dbraw/zinc/72/17/83/1078721783.db2.gz IYDVKFFHQUVBCQ-QGZVFWFLSA-N 1 0 406.546 2.669 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc2F)CC1 ZINC000805007079 1078852812 /nfs/dbraw/zinc/85/28/12/1078852812.db2.gz MPELKLNXEOJQLT-PKOBYXMFSA-N 1 0 418.557 2.621 20 10 HFCDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787302225 1076751152 /nfs/dbraw/zinc/75/11/52/1076751152.db2.gz HLEJBRRKEUHYNP-ICSRJNTNSA-N 1 0 409.571 2.932 20 10 HFCDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000787306337 1076753940 /nfs/dbraw/zinc/75/39/40/1076753940.db2.gz VYHJYZDQKBSDCG-ILWGZMRPSA-N 1 0 407.624 2.832 20 10 HFCDRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000787751680 1076927424 /nfs/dbraw/zinc/92/74/24/1076927424.db2.gz ODTZZJYLLDQXAT-XMSQKQJNSA-N 1 0 408.546 2.883 20 10 HFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000787753592 1076928401 /nfs/dbraw/zinc/92/84/01/1076928401.db2.gz ZEPFOUCINIRYQA-IBGZPJMESA-N 1 0 400.567 2.530 20 10 HFCDRO COc1ccc(N2CC[NH+]([C@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)cc1 ZINC000787732003 1076934343 /nfs/dbraw/zinc/93/43/43/1076934343.db2.gz VBQHEGGBGRAMHO-SIKLNZKXSA-N 1 0 405.539 2.578 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000787907755 1076990628 /nfs/dbraw/zinc/99/06/28/1076990628.db2.gz ARXZWPCTHJPDPV-WOJBJXKFSA-N 1 0 416.610 2.975 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787908841 1076991286 /nfs/dbraw/zinc/99/12/86/1076991286.db2.gz GYKLDWDEHZCUAK-GUDVDZBRSA-N 1 0 402.583 2.804 20 10 HFCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000787901096 1077004618 /nfs/dbraw/zinc/00/46/18/1077004618.db2.gz ABQQFJFFQUYLSH-IBGZPJMESA-N 1 0 400.567 2.674 20 10 HFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1F ZINC000788531841 1077204821 /nfs/dbraw/zinc/20/48/21/1077204821.db2.gz GEZVHQHPEJIFLT-LJQANCHMSA-N 1 0 417.500 2.838 20 10 HFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)c2)CC1 ZINC000790961670 1077255134 /nfs/dbraw/zinc/25/51/34/1077255134.db2.gz ANXFXBFIRCSHGW-UHFFFAOYSA-N 1 0 405.495 2.623 20 10 HFCDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000788934644 1077367822 /nfs/dbraw/zinc/36/78/22/1077367822.db2.gz XBFLGWSXIZNXKV-UHFFFAOYSA-N 1 0 422.573 2.802 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000788975456 1077380873 /nfs/dbraw/zinc/38/08/73/1077380873.db2.gz OUAZHGPEJIRAFQ-ICSRJNTNSA-N 1 0 414.594 2.918 20 10 HFCDRO CO[C@]1(C)CCC[N@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000791554746 1077476667 /nfs/dbraw/zinc/47/66/67/1077476667.db2.gz HBECAZWSSZQHHF-HYFFOGBASA-N 1 0 407.530 2.556 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3ncc4n3CCCC4)CC1)cc2=O ZINC000789356081 1077514856 /nfs/dbraw/zinc/51/48/56/1077514856.db2.gz FYMFHNXGXZLVSN-UHFFFAOYSA-N 1 0 424.505 2.524 20 10 HFCDRO O=S1(=O)CCN(C2CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)CC1 ZINC000789556521 1077674796 /nfs/dbraw/zinc/67/47/96/1077674796.db2.gz BAGNNUIAKFSQAR-UHFFFAOYSA-N 1 0 400.544 2.754 20 10 HFCDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCCCSc3nccs3)cccc21 ZINC000789609208 1077707430 /nfs/dbraw/zinc/70/74/30/1077707430.db2.gz MHLNNDUGCUMECG-HNNXBMFYSA-N 1 0 420.560 2.765 20 10 HFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789902322 1077856404 /nfs/dbraw/zinc/85/64/04/1077856404.db2.gz ACTBDECKAABNJE-QFIPXVFZSA-N 1 0 408.546 2.939 20 10 HFCDRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000792711335 1077980124 /nfs/dbraw/zinc/98/01/24/1077980124.db2.gz IZDRPQNCPJTRAJ-SFHVURJKSA-N 1 0 412.596 2.871 20 10 HFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000792941017 1078022335 /nfs/dbraw/zinc/02/23/35/1078022335.db2.gz QSUAAJHINQNMSQ-DEOSSOPVSA-N 1 0 407.558 2.967 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CC[C@@]4(C3)CCCOC4)cc2F)C[C@@H](C)O1 ZINC000792940761 1078022367 /nfs/dbraw/zinc/02/23/67/1078022367.db2.gz PVQKZZYOYWJINU-PMAPCBKXSA-N 1 0 419.541 2.558 20 10 HFCDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000806280047 1079542546 /nfs/dbraw/zinc/54/25/46/1079542546.db2.gz IJISUBUJVPQDFC-WBVHZDCISA-N 1 0 418.588 2.521 20 10 HFCDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000806280044 1079542576 /nfs/dbraw/zinc/54/25/76/1079542576.db2.gz IJISUBUJVPQDFC-DOTOQJQBSA-N 1 0 418.588 2.521 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCCC[C@@H]3CCO)CC2)cc1 ZINC000806332743 1079604291 /nfs/dbraw/zinc/60/42/91/1079604291.db2.gz ARNMMTQAMFLCDH-OAQYLSRUSA-N 1 0 418.582 2.544 20 10 HFCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2CC2)cc1 ZINC000806391128 1079640966 /nfs/dbraw/zinc/64/09/66/1079640966.db2.gz SRSYQDZPYDDCFS-FQEVSTJZSA-N 1 0 402.583 2.726 20 10 HFCDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000806458399 1079728793 /nfs/dbraw/zinc/72/87/93/1079728793.db2.gz XYZIEGOFRASYJG-UHFFFAOYSA-N 1 0 412.509 2.688 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3CC(F)F)cc2F)CC1 ZINC000806750547 1079964535 /nfs/dbraw/zinc/96/45/35/1079964535.db2.gz UXYVPNIDIYYYKL-INIZCTEOSA-N 1 0 414.472 2.533 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807096976 1080274624 /nfs/dbraw/zinc/27/46/24/1080274624.db2.gz JFYWZOSQUXSARU-HSZRJFAPSA-N 1 0 422.573 2.704 20 10 HFCDRO CN(C)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000793011673 1078047893 /nfs/dbraw/zinc/04/78/93/1078047893.db2.gz KEJHDRVVHWUZJL-UHFFFAOYSA-N 1 0 405.486 2.818 20 10 HFCDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000790607726 1078074081 /nfs/dbraw/zinc/07/40/81/1078074081.db2.gz JUIOMVPNIWXQKE-UHFFFAOYSA-N 1 0 412.227 2.734 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000793727996 1078268495 /nfs/dbraw/zinc/26/84/95/1078268495.db2.gz XIXRNZOKGYZLFN-JOCHJYFZSA-N 1 0 424.589 2.779 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793838649 1078311275 /nfs/dbraw/zinc/31/12/75/1078311275.db2.gz AZNYHBLDZOAKAU-TZIWHRDSSA-N 1 0 422.573 2.958 20 10 HFCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793838645 1078311309 /nfs/dbraw/zinc/31/13/09/1078311309.db2.gz AZNYHBLDZOAKAU-FPOVZHCZSA-N 1 0 422.573 2.958 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793932435 1078341742 /nfs/dbraw/zinc/34/17/42/1078341742.db2.gz TZHDMYOXKJSGMB-UGKGYDQZSA-N 1 0 418.541 2.631 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000793928423 1078340361 /nfs/dbraw/zinc/34/03/61/1078340361.db2.gz BKZOTGKRFFUMPO-WAOWUJCRSA-N 1 0 408.546 2.882 20 10 HFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805024988 1078836204 /nfs/dbraw/zinc/83/62/04/1078836204.db2.gz YSULSQASUDVCBG-NRFANRHFSA-N 1 0 414.594 2.729 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](C)[C@H](C)C3)cc2F)CC1 ZINC000805007577 1078852316 /nfs/dbraw/zinc/85/23/16/1078852316.db2.gz MMFQODDWVZBKLG-YQVWRLOYSA-N 1 0 418.557 2.525 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[C@@H](C)CC3)cc2F)CC1 ZINC000805008060 1078853295 /nfs/dbraw/zinc/85/32/95/1078853295.db2.gz ZEICYALFUDZXRQ-MJGOQNOKSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000805636482 1079189676 /nfs/dbraw/zinc/18/96/76/1079189676.db2.gz RTVVFUBMNNQWEZ-SFHVURJKSA-N 1 0 414.594 2.702 20 10 HFCDRO C[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000787322452 1076765785 /nfs/dbraw/zinc/76/57/85/1076765785.db2.gz KHQLQHQVSYZSRB-RXVVDRJESA-N 1 0 412.578 2.530 20 10 HFCDRO 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CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787617869 1076880313 /nfs/dbraw/zinc/88/03/13/1076880313.db2.gz UPLGVAWFKWGSGE-NQIIRXRSSA-N 1 0 402.583 2.803 20 10 HFCDRO CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[N@@H+]1CCc2ccccc2C1 ZINC000787630996 1076884225 /nfs/dbraw/zinc/88/42/25/1076884225.db2.gz GHFOFDJOAAYGDY-JOCHJYFZSA-N 1 0 422.573 2.630 20 10 HFCDRO COc1ccc(N2CC[NH+]([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)cc1 ZINC000787731999 1076934328 /nfs/dbraw/zinc/93/43/28/1076934328.db2.gz VBQHEGGBGRAMHO-KNQAVFIVSA-N 1 0 405.539 2.578 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@H](OCC)C13CCCCC3)cc2=O ZINC000787994682 1077021495 /nfs/dbraw/zinc/02/14/95/1077021495.db2.gz FARUZWWGJBLMFJ-IRXDYDNUSA-N 1 0 402.495 2.829 20 10 HFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000788607716 1077222433 /nfs/dbraw/zinc/22/24/33/1077222433.db2.gz MHFOSRGHOFDXNL-RCCFBDPRSA-N 1 0 400.972 2.955 20 10 HFCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000788929467 1077339324 /nfs/dbraw/zinc/33/93/24/1077339324.db2.gz JPENYYHGLGCBEB-UGKGYDQZSA-N 1 0 420.557 2.682 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000788929496 1077339696 /nfs/dbraw/zinc/33/96/96/1077339696.db2.gz KJWGUMRKRWBYCJ-IBGZPJMESA-N 1 0 408.546 2.540 20 10 HFCDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788909247 1077349219 /nfs/dbraw/zinc/34/92/19/1077349219.db2.gz FEIIGVREEIBLDT-NRFANRHFSA-N 1 0 400.567 2.674 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000788954476 1077361372 /nfs/dbraw/zinc/36/13/72/1077361372.db2.gz KGOXLCMEVKEZJP-OTWHNJEPSA-N 1 0 402.583 2.632 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000788954285 1077361555 /nfs/dbraw/zinc/36/15/55/1077361555.db2.gz JKSPSRTVYXQVPW-YADHBBJMSA-N 1 0 408.546 2.711 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)CCC(=O)OC(C)C)cc2F)CC1 ZINC000792076589 1077682800 /nfs/dbraw/zinc/68/28/00/1077682800.db2.gz UMEHMZNCQJNLNF-QGZVFWFLSA-N 1 0 422.545 2.887 20 10 HFCDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCCCSc3nccs3)cccc21 ZINC000789609212 1077707381 /nfs/dbraw/zinc/70/73/81/1077707381.db2.gz MHLNNDUGCUMECG-OAHLLOKOSA-N 1 0 420.560 2.765 20 10 HFCDRO C[N@H+](CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CC1 ZINC000746843632 1077717340 /nfs/dbraw/zinc/71/73/40/1077717340.db2.gz HZGJHKXLZYYLBU-NTCAYCPXSA-N 1 0 409.602 2.940 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000789706013 1077746658 /nfs/dbraw/zinc/74/66/58/1077746658.db2.gz KJMUIROHXSCCRJ-UHFFFAOYSA-N 1 0 419.591 2.609 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccoc3)cc2F)CC1 ZINC000789933890 1077858182 /nfs/dbraw/zinc/85/81/82/1077858182.db2.gz GUZLANQRVITTNR-UHFFFAOYSA-N 1 0 411.481 2.891 20 10 HFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000772797015 1077879793 /nfs/dbraw/zinc/87/97/93/1077879793.db2.gz ASJWOQJYQPXAJA-MRXNPFEDSA-N 1 0 419.547 2.882 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C[NH+]1CCCC1 ZINC000790191855 1077967258 /nfs/dbraw/zinc/96/72/58/1077967258.db2.gz XIKGSBMPKRQHSS-SFHVURJKSA-N 1 0 401.551 2.902 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CC[C@]4(C3)CCCOC4)cc2F)C[C@@H](C)O1 ZINC000792940763 1078022382 /nfs/dbraw/zinc/02/23/82/1078022382.db2.gz PVQKZZYOYWJINU-PNCHPQGNSA-N 1 0 419.541 2.558 20 10 HFCDRO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000792978024 1078031204 /nfs/dbraw/zinc/03/12/04/1078031204.db2.gz QGWPOCOVFMGRRV-UHFFFAOYSA-N 1 0 410.543 2.705 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000806279447 1079542897 /nfs/dbraw/zinc/54/28/97/1079542897.db2.gz ORERYNXDTPDRGM-HUUCEWRRSA-N 1 0 410.609 2.511 20 10 HFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000806253105 1079549083 /nfs/dbraw/zinc/54/90/83/1079549083.db2.gz ADCOAROABBACTM-FQEVSTJZSA-N 1 0 402.583 2.870 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C3CC3)C(F)(F)F)CC2)cc1 ZINC000806334953 1079605614 /nfs/dbraw/zinc/60/56/14/1079605614.db2.gz XYSLSWBFUJUKCP-GOSISDBHSA-N 1 0 414.472 2.847 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000806505769 1079756875 /nfs/dbraw/zinc/75/68/75/1079756875.db2.gz XMLPREHUNINIJF-FPOVZHCZSA-N 1 0 400.567 2.624 20 10 HFCDRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000806511286 1079760742 /nfs/dbraw/zinc/76/07/42/1079760742.db2.gz GOECXEHRMALJIX-OAQYLSRUSA-N 1 0 400.498 2.764 20 10 HFCDRO CCC[C@@]1(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCOC1 ZINC000807062589 1080244057 /nfs/dbraw/zinc/24/40/57/1080244057.db2.gz HNVYDDJGBXXXLW-HSZRJFAPSA-N 1 0 400.567 2.977 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@@]2(C1)CCCOC2 ZINC000807063371 1080246193 /nfs/dbraw/zinc/24/61/93/1080246193.db2.gz SUGZHQQSFUHXFF-XMMPIXPASA-N 1 0 412.578 2.931 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000807098288 1080277579 /nfs/dbraw/zinc/27/75/79/1080277579.db2.gz VRALXVUHKGMOAU-QHCPKHFHSA-N 1 0 422.573 2.800 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807099359 1080279056 /nfs/dbraw/zinc/27/90/56/1080279056.db2.gz SUUOUEDMYVZQHM-WMZHIEFXSA-N 1 0 422.573 2.704 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807102684 1080281742 /nfs/dbraw/zinc/28/17/42/1080281742.db2.gz HPECNUIEMQMEGS-OAQYLSRUSA-N 1 0 422.573 2.658 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000807363456 1080525692 /nfs/dbraw/zinc/52/56/92/1080525692.db2.gz GZSDPVQSCAMKPJ-VCSGRIEYSA-N 1 0 400.567 2.623 20 10 HFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3-n3cncn3)cc2)C1 ZINC000793043306 1078054496 /nfs/dbraw/zinc/05/44/96/1078054496.db2.gz LPTNJLZDEGUOIM-SFHVURJKSA-N 1 0 424.936 2.912 20 10 HFCDRO C[NH+]1CCN(c2ccc(CN[C@H](C(N)=O)c3ccc(Br)cc3)cc2)CC1 ZINC000793265821 1078113618 /nfs/dbraw/zinc/11/36/18/1078113618.db2.gz LZIMOGQUSMCQCF-IBGZPJMESA-N 1 0 417.351 2.517 20 10 HFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790787474 1078134619 /nfs/dbraw/zinc/13/46/19/1078134619.db2.gz FDWGZEZUZUDVLM-YLJYHZDGSA-N 1 0 414.893 2.714 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000793717678 1078264237 /nfs/dbraw/zinc/26/42/37/1078264237.db2.gz GLCNPSYBGHXLJZ-QFIPXVFZSA-N 1 0 410.562 2.829 20 10 HFCDRO C[C@H]1CCC[C@](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)([NH+](C)C)C1 ZINC000793810161 1078313938 /nfs/dbraw/zinc/31/39/38/1078313938.db2.gz JRGXVAKDIPVLPP-UUOWRZLLSA-N 1 0 414.594 2.870 20 10 HFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901246 1078332795 /nfs/dbraw/zinc/33/27/95/1078332795.db2.gz LULMZICZZDWYSW-VQTJNVASSA-N 1 0 414.594 2.776 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000793916110 1078337455 /nfs/dbraw/zinc/33/74/55/1078337455.db2.gz XBPNRIHQNKEDRV-KURKYZTESA-N 1 0 402.583 2.803 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCC[C@H]3C)cc2F)CC1 ZINC000793945381 1078353997 /nfs/dbraw/zinc/35/39/97/1078353997.db2.gz XVCVKGJJFDWONX-IEBWSBKVSA-N 1 0 418.557 2.526 20 10 HFCDRO CCn1nc(C)c(CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1C ZINC000794293775 1078402868 /nfs/dbraw/zinc/40/28/68/1078402868.db2.gz BRXAPQQFVUCMPC-UHFFFAOYSA-N 1 0 401.530 2.660 20 10 HFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000804424260 1078470879 /nfs/dbraw/zinc/47/08/79/1078470879.db2.gz CQIBKUJTVOXFRN-OAQYLSRUSA-N 1 0 400.567 2.626 20 10 HFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804851792 1078720313 /nfs/dbraw/zinc/72/03/13/1078720313.db2.gz PBFHXUQSCRTLRW-GOSISDBHSA-N 1 0 406.546 2.669 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000804852269 1078722388 /nfs/dbraw/zinc/72/23/88/1078722388.db2.gz FNBBPNQCPZFLHQ-SFHVURJKSA-N 1 0 406.546 2.621 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](C)[C@@H](C)C3)cc2F)CC1 ZINC000805007579 1078852509 /nfs/dbraw/zinc/85/25/09/1078852509.db2.gz MMFQODDWVZBKLG-ZIFCJYIRSA-N 1 0 418.557 2.525 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000805637223 1079190221 /nfs/dbraw/zinc/19/02/21/1079190221.db2.gz JVDHBXXHYVHVFZ-IBGZPJMESA-N 1 0 414.594 2.920 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO)cc2=O ZINC000805820374 1079292033 /nfs/dbraw/zinc/29/20/33/1079292033.db2.gz LNXJULPTBMUDLP-CVEARBPZSA-N 1 0 412.490 2.598 20 10 HFCDRO C[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805821634 1079292650 /nfs/dbraw/zinc/29/26/50/1079292650.db2.gz LWCDSRSZUJVPJF-WIYYLYMNSA-N 1 0 400.567 2.690 20 10 HFCDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000806171323 1079462729 /nfs/dbraw/zinc/46/27/29/1079462729.db2.gz YVOFYESRVZOOMA-FUHWJXTLSA-N 1 0 412.575 2.737 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](Cc3ccccc3)CC[C@H]1C)cc2=O ZINC000746678448 1076769426 /nfs/dbraw/zinc/76/94/26/1076769426.db2.gz XFIDHBQZRHSQPB-QGZVFWFLSA-N 1 0 423.517 2.708 20 10 HFCDRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787617871 1076880625 /nfs/dbraw/zinc/88/06/25/1076880625.db2.gz UPLGVAWFKWGSGE-WIYYLYMNSA-N 1 0 402.583 2.803 20 10 HFCDRO CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000787630943 1076884142 /nfs/dbraw/zinc/88/41/42/1076884142.db2.gz FHNGUVLGDOOJJO-JOCHJYFZSA-N 1 0 422.573 2.664 20 10 HFCDRO C[N@H+](CCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000787673669 1076889877 /nfs/dbraw/zinc/88/98/77/1076889877.db2.gz BJEHMRBGXFPNFE-UHFFFAOYSA-N 1 0 400.567 2.674 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000787705300 1076919155 /nfs/dbraw/zinc/91/91/55/1076919155.db2.gz JUIPAXJHQASAIT-RTBURBONSA-N 1 0 414.594 2.728 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787754697 1076928337 /nfs/dbraw/zinc/92/83/37/1076928337.db2.gz GKOLHEBZMIXFNJ-QHCPKHFHSA-N 1 0 418.541 2.632 20 10 HFCDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000746751379 1077204844 /nfs/dbraw/zinc/20/48/44/1077204844.db2.gz NSYQLDJLFXQEKZ-NRFANRHFSA-N 1 0 420.623 2.882 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](COC)c3ccco3)cc2F)CC1 ZINC000746760997 1077278284 /nfs/dbraw/zinc/27/82/84/1077278284.db2.gz OPLLTKAVIFVFPD-SFHVURJKSA-N 1 0 404.486 2.748 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788928561 1077338838 /nfs/dbraw/zinc/33/88/38/1077338838.db2.gz AKQOXYAKBBAMJN-KDURUIRLSA-N 1 0 414.594 2.776 20 10 HFCDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000788929466 1077339411 /nfs/dbraw/zinc/33/94/11/1077339411.db2.gz JPENYYHGLGCBEB-SIKLNZKXSA-N 1 0 420.557 2.682 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000788953487 1077360817 /nfs/dbraw/zinc/36/08/17/1077360817.db2.gz BJXQFOVVHKWQCV-UGKGYDQZSA-N 1 0 422.573 2.928 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000788954470 1077361469 /nfs/dbraw/zinc/36/14/69/1077361469.db2.gz KGOXLCMEVKEZJP-CEXWTWQISA-N 1 0 402.583 2.632 20 10 HFCDRO C[C@H](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000788933527 1077367419 /nfs/dbraw/zinc/36/74/19/1077367419.db2.gz QEXWGXFDEMQMNQ-HXUWFJFHSA-N 1 0 422.573 2.930 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000788977798 1077381996 /nfs/dbraw/zinc/38/19/96/1077381996.db2.gz MYEBDMQRMRTAJD-NRFANRHFSA-N 1 0 414.525 2.707 20 10 HFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000792157840 1077725592 /nfs/dbraw/zinc/72/55/92/1077725592.db2.gz NFHYTGKWVITBFG-JPYJTQIMSA-N 1 0 412.578 2.928 20 10 HFCDRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC000792828922 1078006972 /nfs/dbraw/zinc/00/69/72/1078006972.db2.gz LDZLZZNJCPBURP-OAQYLSRUSA-N 1 0 412.534 2.579 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000792924111 1078026945 /nfs/dbraw/zinc/02/69/45/1078026945.db2.gz HVQOMLATOXBCMJ-WOSNLTMFSA-N 1 0 419.541 2.699 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2F)C[C@@H](C)O1 ZINC000792924129 1078027209 /nfs/dbraw/zinc/02/72/09/1078027209.db2.gz HVQOMLATOXBCMJ-XWOARTFESA-N 1 0 419.541 2.699 20 10 HFCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436442 1078030585 /nfs/dbraw/zinc/03/05/85/1078030585.db2.gz YLZLWLWGXZTUIO-PNYFIKQUSA-N 1 0 421.557 2.681 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(OC)c(Cl)c3)cc2F)CC1 ZINC000790457367 1078037781 /nfs/dbraw/zinc/03/77/81/1078037781.db2.gz TVRLNWPLYZYUFH-UHFFFAOYSA-N 1 0 406.889 2.955 20 10 HFCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277336 1079540916 /nfs/dbraw/zinc/54/09/16/1079540916.db2.gz YMDJBPVGHSMRDK-IRXDYDNUSA-N 1 0 424.636 2.855 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccc(C)nc3Cl)CC2)cc1 ZINC000806320376 1079592456 /nfs/dbraw/zinc/59/24/56/1079592456.db2.gz GYICKSXNKRNWQD-UHFFFAOYSA-N 1 0 416.953 2.923 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@H]3[C@@H]3CCCO3)CC2)cc1 ZINC000806334391 1079606275 /nfs/dbraw/zinc/60/62/75/1079606275.db2.gz NMMRCYPHIZWCOH-VXKWHMMOSA-N 1 0 416.566 2.560 20 10 HFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000807062690 1080244073 /nfs/dbraw/zinc/24/40/73/1080244073.db2.gz JCGWSGJWJUKZBW-KVFBUXGHSA-N 1 0 424.589 2.783 20 10 HFCDRO NC(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1Cl ZINC000807107579 1080285963 /nfs/dbraw/zinc/28/59/63/1080285963.db2.gz IAUULSKPAOVLCM-ZDUSSCGKSA-N 1 0 423.300 2.587 20 10 HFCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807291216 1080457272 /nfs/dbraw/zinc/45/72/72/1080457272.db2.gz UWDJTWVHWTVDJR-UHFFFAOYSA-N 1 0 420.557 2.789 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807546669 1080763929 /nfs/dbraw/zinc/76/39/29/1080763929.db2.gz QJFPTNNQTJRKCV-WMZHIEFXSA-N 1 0 422.573 2.738 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@H]3C[C@@H](C)O)CC2)cc1 ZINC000790643869 1078091591 /nfs/dbraw/zinc/09/15/91/1078091591.db2.gz SCNKLQONIRTSKZ-CTNGQTDRSA-N 1 0 418.582 2.542 20 10 HFCDRO CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2)C1=O ZINC000793345725 1078132204 /nfs/dbraw/zinc/13/22/04/1078132204.db2.gz FDAWFPRATSCKGO-OAQYLSRUSA-N 1 0 407.518 2.885 20 10 HFCDRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793838647 1078311263 /nfs/dbraw/zinc/31/12/63/1078311263.db2.gz AZNYHBLDZOAKAU-PZJWPPBQSA-N 1 0 422.573 2.958 20 10 HFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793912204 1078335961 /nfs/dbraw/zinc/33/59/61/1078335961.db2.gz DHAFDXRPNTXMLV-HDICACEKSA-N 1 0 402.583 2.584 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793933236 1078342221 /nfs/dbraw/zinc/34/22/21/1078342221.db2.gz ZLNJTCRQQFZKPE-WBVHZDCISA-N 1 0 418.588 2.693 20 10 HFCDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000804697516 1078538610 /nfs/dbraw/zinc/53/86/10/1078538610.db2.gz JEIIJBGWPMAHAN-SFHVURJKSA-N 1 0 410.562 2.957 20 10 HFCDRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643843 1078699462 /nfs/dbraw/zinc/69/94/62/1078699462.db2.gz PYVLLRCUZAIQER-SIKLNZKXSA-N 1 0 422.573 2.880 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000804852268 1078721930 /nfs/dbraw/zinc/72/19/30/1078721930.db2.gz FNBBPNQCPZFLHQ-GOSISDBHSA-N 1 0 406.546 2.621 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC000804853110 1078724763 /nfs/dbraw/zinc/72/47/63/1078724763.db2.gz SZXWHUPXUKIEPJ-IBGZPJMESA-N 1 0 406.546 2.525 20 10 HFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@@H]1C ZINC000805024093 1078837242 /nfs/dbraw/zinc/83/72/42/1078837242.db2.gz ACYPBHYTVDMHNO-UGKGYDQZSA-N 1 0 414.594 2.870 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCCC3(C)C)cc2F)CC1 ZINC000805009122 1078854143 /nfs/dbraw/zinc/85/41/43/1078854143.db2.gz GZPUBJMRWYNMSB-FQEVSTJZSA-N 1 0 418.557 2.669 20 10 HFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170618 1079461368 /nfs/dbraw/zinc/46/13/68/1079461368.db2.gz XLGUDFHRHMTHIN-AUUYWEPGSA-N 1 0 400.475 2.870 20 10 HFCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000787615633 1076879851 /nfs/dbraw/zinc/87/98/51/1076879851.db2.gz JJQAOGCWSPKBFA-FQEVSTJZSA-N 1 0 416.591 2.972 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000787640817 1076892934 /nfs/dbraw/zinc/89/29/34/1076892934.db2.gz QXZRFFRVRGPMBA-LJQANCHMSA-N 1 0 402.564 2.582 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000787705842 1076919565 /nfs/dbraw/zinc/91/95/65/1076919565.db2.gz LRKJZIBDHGZENW-OALUTQOASA-N 1 0 402.583 2.585 20 10 HFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000787708783 1076921295 /nfs/dbraw/zinc/92/12/95/1076921295.db2.gz JIBUWKDQWSWBDN-UHFFFAOYSA-N 1 0 409.530 2.695 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787908839 1076991250 /nfs/dbraw/zinc/99/12/50/1076991250.db2.gz GYKLDWDEHZCUAK-CEXWTWQISA-N 1 0 402.583 2.804 20 10 HFCDRO CC1CC[NH+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000787896917 1077003514 /nfs/dbraw/zinc/00/35/14/1077003514.db2.gz ZKTCJJIVXNNXHE-UHFFFAOYSA-N 1 0 400.567 2.531 20 10 HFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000788481272 1077174184 /nfs/dbraw/zinc/17/41/84/1077174184.db2.gz ANXZNTGFSWLOCP-UHFFFAOYSA-N 1 0 412.578 2.626 20 10 HFCDRO c1nc([C@@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2cccnc2)n[nH]1 ZINC000788690462 1077251838 /nfs/dbraw/zinc/25/18/38/1077251838.db2.gz JOTXRCYQOQFCNZ-QFIPXVFZSA-N 1 0 403.534 2.611 20 10 HFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCN1Cc1ccc(F)cc1 ZINC000791007619 1077266035 /nfs/dbraw/zinc/26/60/35/1077266035.db2.gz NKYUMAUDGTYXAN-HXUWFJFHSA-N 1 0 401.457 2.692 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CO)c3ccccc3C)cc2F)CC1 ZINC000746760440 1077276686 /nfs/dbraw/zinc/27/66/86/1077276686.db2.gz NTCNLYWRRULSAR-NRFANRHFSA-N 1 0 414.525 2.809 20 10 HFCDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788928533 1077338766 /nfs/dbraw/zinc/33/87/66/1077338766.db2.gz ACCLOSUBGGKIOQ-UHFFFAOYSA-N 1 0 414.575 2.555 20 10 HFCDRO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)cc1S(N)(=O)=O ZINC000772769596 1077344244 /nfs/dbraw/zinc/34/42/44/1077344244.db2.gz BOLJPHQEUPEFME-UHFFFAOYSA-N 1 0 417.531 2.731 20 10 HFCDRO Cc1cnc2c(N(CC[NH3+])c3cnc4c(c3)C3(CC3)C(=O)N4)nc3ccc(C)cc3n12 ZINC001170151901 1077350691 /nfs/dbraw/zinc/35/06/91/1077350691.db2.gz WQPKRUPHUXGECY-UHFFFAOYSA-N 1 0 413.485 2.975 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)c3ncccc3F)CC2)cc1 ZINC000791299582 1077361686 /nfs/dbraw/zinc/36/16/86/1077361686.db2.gz BYPFQFZYJQVFPF-KRWDZBQOSA-N 1 0 400.498 2.661 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000788975457 1077380774 /nfs/dbraw/zinc/38/07/74/1077380774.db2.gz OUAZHGPEJIRAFQ-QUCCMNQESA-N 1 0 414.594 2.918 20 10 HFCDRO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000789461028 1077582828 /nfs/dbraw/zinc/58/28/28/1077582828.db2.gz CJBNLLBDQOHALB-SCLBCKFNSA-N 1 0 413.474 2.602 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)cc2F)CC1 ZINC000792072767 1077679366 /nfs/dbraw/zinc/67/93/66/1077679366.db2.gz AEBQZOCRSFAVNW-HRAATJIYSA-N 1 0 404.530 2.677 20 10 HFCDRO CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000789985071 1077885256 /nfs/dbraw/zinc/88/52/56/1077885256.db2.gz YBQDUOBXAJBAAA-UYAOXDASSA-N 1 0 418.557 2.669 20 10 HFCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)ccc1OCC(N)=O ZINC000792936218 1078029119 /nfs/dbraw/zinc/02/91/19/1078029119.db2.gz NAMJOSZLLPWNMZ-UHFFFAOYSA-N 1 0 411.424 2.934 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCCC[C@H]3CCO)CC2)cc1 ZINC000806332742 1079604416 /nfs/dbraw/zinc/60/44/16/1079604416.db2.gz ARNMMTQAMFLCDH-NRFANRHFSA-N 1 0 418.582 2.544 20 10 HFCDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)(C)C ZINC000806391107 1079640898 /nfs/dbraw/zinc/64/08/98/1079640898.db2.gz QRDOROFPPQRYSV-HXUWFJFHSA-N 1 0 415.534 2.997 20 10 HFCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2CC2)cc1 ZINC000806391129 1079641016 /nfs/dbraw/zinc/64/10/16/1079641016.db2.gz SRSYQDZPYDDCFS-HXUWFJFHSA-N 1 0 402.583 2.726 20 10 HFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806457093 1079727269 /nfs/dbraw/zinc/72/72/69/1079727269.db2.gz CKZQKUWMAMSTQW-JXFKEZNVSA-N 1 0 404.530 2.555 20 10 HFCDRO CN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806457027 1079727793 /nfs/dbraw/zinc/72/77/93/1079727793.db2.gz BZCXTVAPHUGRAF-JWTNVVGKSA-N 1 0 404.530 2.553 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3CC(F)F)cc2F)CC1 ZINC000806750548 1079964508 /nfs/dbraw/zinc/96/45/08/1079964508.db2.gz UXYVPNIDIYYYKL-MRXNPFEDSA-N 1 0 414.472 2.533 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000807103878 1080282425 /nfs/dbraw/zinc/28/24/25/1080282425.db2.gz WQBMVUUZJYERQA-HSZRJFAPSA-N 1 0 424.589 2.950 20 10 HFCDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000807387115 1080581713 /nfs/dbraw/zinc/58/17/13/1080581713.db2.gz ZVOBLSYWFZWYAI-UHFFFAOYSA-N 1 0 420.307 2.514 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000807552515 1080767630 /nfs/dbraw/zinc/76/76/30/1080767630.db2.gz BCZWVQWHSIBPEU-UHFFFAOYSA-N 1 0 400.567 2.624 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@@H]3C[C@@H](C)O)CC2)cc1 ZINC000790643875 1078091483 /nfs/dbraw/zinc/09/14/83/1078091483.db2.gz SCNKLQONIRTSKZ-TZIWHRDSSA-N 1 0 418.582 2.542 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3C[C@@H](C)O)cc2F)CC1 ZINC000790718415 1078107133 /nfs/dbraw/zinc/10/71/33/1078107133.db2.gz JUJJPQRYDBPPCW-MJGOQNOKSA-N 1 0 406.546 2.803 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(C(=O)OC)cc3[N+](=O)[O-])cc2F)CC1 ZINC000790768660 1078121346 /nfs/dbraw/zinc/12/13/46/1078121346.db2.gz WOGKYUPXWICYHW-UHFFFAOYSA-N 1 0 417.441 2.670 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000793714760 1078262755 /nfs/dbraw/zinc/26/27/55/1078262755.db2.gz FSNPBIMTAVTVJI-IBGZPJMESA-N 1 0 400.567 2.626 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000793736808 1078285459 /nfs/dbraw/zinc/28/54/59/1078285459.db2.gz CLRSZAWVYDLMBI-UHFFFAOYSA-N 1 0 402.583 2.870 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000793738471 1078285667 /nfs/dbraw/zinc/28/56/67/1078285667.db2.gz RHKLZVKDDXTTRJ-UHFFFAOYSA-N 1 0 406.546 2.667 20 10 HFCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C2CC2)cc1 ZINC000793745703 1078289379 /nfs/dbraw/zinc/28/93/79/1078289379.db2.gz XNOARHNGVVBLMH-UHFFFAOYSA-N 1 0 400.567 2.623 20 10 HFCDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)([NH+](C)C)C1 ZINC000793810158 1078313888 /nfs/dbraw/zinc/31/38/88/1078313888.db2.gz JRGXVAKDIPVLPP-HOYKHHGWSA-N 1 0 414.594 2.870 20 10 HFCDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)([NH+](C)C)C1 ZINC000793810160 1078313892 /nfs/dbraw/zinc/31/38/92/1078313892.db2.gz JRGXVAKDIPVLPP-MHECFPHRSA-N 1 0 414.594 2.870 20 10 HFCDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)([NH+](C)C)C1 ZINC000793810159 1078313931 /nfs/dbraw/zinc/31/39/31/1078313931.db2.gz JRGXVAKDIPVLPP-KOSHJBKYSA-N 1 0 414.594 2.870 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000793815649 1078316204 /nfs/dbraw/zinc/31/62/04/1078316204.db2.gz WXLNFIYYLVOCMP-JPYJTQIMSA-N 1 0 402.583 2.728 20 10 HFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905154 1078333866 /nfs/dbraw/zinc/33/38/66/1078333866.db2.gz ZYRSLXZCMNVFFN-QZTJIDSGSA-N 1 0 413.518 2.751 20 10 HFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793932432 1078341712 /nfs/dbraw/zinc/34/17/12/1078341712.db2.gz TZHDMYOXKJSGMB-DENIHFKCSA-N 1 0 418.541 2.631 20 10 HFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000793900088 1078343955 /nfs/dbraw/zinc/34/39/55/1078343955.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000787640814 1076892890 /nfs/dbraw/zinc/89/28/90/1076892890.db2.gz QXZRFFRVRGPMBA-IBGZPJMESA-N 1 0 402.564 2.582 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000787643152 1076894031 /nfs/dbraw/zinc/89/40/31/1076894031.db2.gz XPHSOUXEEJNVBS-OAQYLSRUSA-N 1 0 414.525 2.659 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000787705845 1076919853 /nfs/dbraw/zinc/91/98/53/1076919853.db2.gz LRKJZIBDHGZENW-RTBURBONSA-N 1 0 402.583 2.585 20 10 HFCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000787751678 1076927077 /nfs/dbraw/zinc/92/70/77/1076927077.db2.gz ODTZZJYLLDQXAT-GCJKJVERSA-N 1 0 408.546 2.883 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000787903185 1076987965 /nfs/dbraw/zinc/98/79/65/1076987965.db2.gz KKIFRSOUTWJSSY-LJQANCHMSA-N 1 0 402.583 2.872 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000787910408 1076991472 /nfs/dbraw/zinc/99/14/72/1076991472.db2.gz MBMALWRLIWYMBX-PMACEKPBSA-N 1 0 412.578 2.553 20 10 HFCDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000787913590 1076992689 /nfs/dbraw/zinc/99/26/89/1076992689.db2.gz WBJKNVTZNYGUED-IBGZPJMESA-N 1 0 400.567 2.531 20 10 HFCDRO CC(C)(C)OC(=O)N1CCN(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000788019662 1077030195 /nfs/dbraw/zinc/03/01/95/1077030195.db2.gz MAYPKHCZPIFSBJ-FQEVSTJZSA-N 1 0 419.566 2.926 20 10 HFCDRO O=C([C@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1cccc(F)c1)N1CCOCC1 ZINC000788529341 1077204072 /nfs/dbraw/zinc/20/40/72/1077204072.db2.gz LJVMITDTIIGHGE-INIZCTEOSA-N 1 0 406.885 2.992 20 10 HFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CC1CCCC1 ZINC000788821028 1077308693 /nfs/dbraw/zinc/30/86/93/1077308693.db2.gz QPELJXMRVLVIOO-FQEVSTJZSA-N 1 0 413.541 2.973 20 10 HFCDRO Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[NH+](C)C)cc1 ZINC000788935153 1077368969 /nfs/dbraw/zinc/36/89/69/1077368969.db2.gz BFADDQAVLYUFHB-JOCHJYFZSA-N 1 0 408.546 2.631 20 10 HFCDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)([NH+](C)C)C1 ZINC000788935762 1077369772 /nfs/dbraw/zinc/36/97/72/1077369772.db2.gz DXYOKHHBACAJGO-WZONZLPQSA-N 1 0 400.567 2.530 20 10 HFCDRO CC1CCC([NH+]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC000788935831 1077369783 /nfs/dbraw/zinc/36/97/83/1077369783.db2.gz GYYZIIHCRXDATM-UHFFFAOYSA-N 1 0 412.578 2.626 20 10 HFCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C[C@H](C2CC2)O1 ZINC000792157837 1077725599 /nfs/dbraw/zinc/72/55/99/1077725599.db2.gz NFHYTGKWVITBFG-FDDCHVKYSA-N 1 0 412.578 2.928 20 10 HFCDRO NC(=O)c1ccccc1CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000792238306 1077759505 /nfs/dbraw/zinc/75/95/05/1077759505.db2.gz OUWHBTBSHQBGAP-GOSISDBHSA-N 1 0 415.921 2.858 20 10 HFCDRO COc1ccc(CNC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c(O)c1 ZINC000792790481 1077991964 /nfs/dbraw/zinc/99/19/64/1077991964.db2.gz RKQIJZZQZWEONV-KRWDZBQOSA-N 1 0 403.479 2.520 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)Cc3cnccc3C)CC2)cc1 ZINC000792791246 1077992388 /nfs/dbraw/zinc/99/23/88/1077992388.db2.gz HLXZQDPBAMGFJS-UHFFFAOYSA-N 1 0 411.550 2.752 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@@](C)(OC)CC3)CC2)cc1 ZINC000792794208 1077993489 /nfs/dbraw/zinc/99/34/89/1077993489.db2.gz XRVNVDKUENBVJC-HSZRJFAPSA-N 1 0 418.582 2.808 20 10 HFCDRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792913711 1078024781 /nfs/dbraw/zinc/02/47/81/1078024781.db2.gz NZVQMKDFBDYPFG-UHFFFAOYSA-N 1 0 400.489 2.852 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806423600 1079669265 /nfs/dbraw/zinc/66/92/65/1079669265.db2.gz BPUBNERXPCJGQY-QHCPKHFHSA-N 1 0 422.573 2.882 20 10 HFCDRO C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806510931 1079751836 /nfs/dbraw/zinc/75/18/36/1079751836.db2.gz BNSHEQRWPLYFKU-AUSIDOKSSA-N 1 0 408.546 2.985 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000807097024 1080274046 /nfs/dbraw/zinc/27/40/46/1080274046.db2.gz NBKDWXAFULIECG-FQEVSTJZSA-N 1 0 416.953 2.750 20 10 HFCDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000807099923 1080277538 /nfs/dbraw/zinc/27/75/38/1080277538.db2.gz HKEPQGBAHUKQNW-UHFFFAOYSA-N 1 0 402.583 2.648 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807099360 1080278819 /nfs/dbraw/zinc/27/88/19/1080278819.db2.gz SUUOUEDMYVZQHM-XXBNENTESA-N 1 0 422.573 2.704 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807102683 1080281806 /nfs/dbraw/zinc/28/18/06/1080281806.db2.gz HPECNUIEMQMEGS-NRFANRHFSA-N 1 0 422.573 2.658 20 10 HFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CN(CC(F)(F)F)C1 ZINC000807106760 1080285370 /nfs/dbraw/zinc/28/53/70/1080285370.db2.gz AXPVKZOSNMLDNB-OAHLLOKOSA-N 1 0 405.848 2.620 20 10 HFCDRO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807554105 1080804374 /nfs/dbraw/zinc/80/43/74/1080804374.db2.gz BABCFWISCXKASQ-UHFFFAOYSA-N 1 0 411.502 2.647 20 10 HFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000793020548 1078051314 /nfs/dbraw/zinc/05/13/14/1078051314.db2.gz GRMNKLIZEFOKHW-CQSZACIVSA-N 1 0 422.494 2.757 20 10 HFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000793043038 1078054787 /nfs/dbraw/zinc/05/47/87/1078054787.db2.gz VHUOCPYYDDPCLQ-PBHICJAKSA-N 1 0 406.470 2.597 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@H]3C[C@H](C)O)CC2)cc1 ZINC000790643872 1078091496 /nfs/dbraw/zinc/09/14/96/1078091496.db2.gz SCNKLQONIRTSKZ-FPOVZHCZSA-N 1 0 418.582 2.542 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCO[C@H](C(C)(C)C)C3)CC2)cc1 ZINC000790643966 1078091303 /nfs/dbraw/zinc/09/13/03/1078091303.db2.gz UTOYLZVYFRUACT-NRFANRHFSA-N 1 0 418.582 2.664 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)(F)C1CCOCC1 ZINC000790837961 1078140642 /nfs/dbraw/zinc/14/06/42/1078140642.db2.gz JPCSMPNZGUHIRF-UHFFFAOYSA-N 1 0 407.505 2.897 20 10 HFCDRO CCc1nn(C)c(CC)c1CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000790837810 1078140740 /nfs/dbraw/zinc/14/07/40/1078140740.db2.gz HAMFUDNZEPYWEO-UHFFFAOYSA-N 1 0 423.605 2.936 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+]1CCCCC1 ZINC000793710739 1078260602 /nfs/dbraw/zinc/26/06/02/1078260602.db2.gz UDGWODAFQDVAEU-IBGZPJMESA-N 1 0 400.567 2.530 20 10 HFCDRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000793714762 1078262617 /nfs/dbraw/zinc/26/26/17/1078262617.db2.gz FSNPBIMTAVTVJI-LJQANCHMSA-N 1 0 400.567 2.626 20 10 HFCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000793907516 1078334335 /nfs/dbraw/zinc/33/43/35/1078334335.db2.gz FHEOIIRRRBAJLM-GOSISDBHSA-N 1 0 414.594 2.870 20 10 HFCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000793912245 1078335927 /nfs/dbraw/zinc/33/59/27/1078335927.db2.gz ORKFLTUYADARDZ-OTWHNJEPSA-N 1 0 414.594 2.726 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000793914256 1078336617 /nfs/dbraw/zinc/33/66/17/1078336617.db2.gz MTMWZFJSWZEZMU-IAGOWNOFSA-N 1 0 402.583 2.550 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000793916111 1078337429 /nfs/dbraw/zinc/33/74/29/1078337429.db2.gz XBPNRIHQNKEDRV-KZNAEPCWSA-N 1 0 402.583 2.803 20 10 HFCDRO C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000793916109 1078337463 /nfs/dbraw/zinc/33/74/63/1078337463.db2.gz XBPNRIHQNKEDRV-KSZLIROESA-N 1 0 402.583 2.803 20 10 HFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793933233 1078342187 /nfs/dbraw/zinc/34/21/87/1078342187.db2.gz ZLNJTCRQQFZKPE-RDJZCZTQSA-N 1 0 418.588 2.693 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000793900157 1078343896 /nfs/dbraw/zinc/34/38/96/1078343896.db2.gz GSWXNKOYUBXZGH-OALUTQOASA-N 1 0 402.583 2.726 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000793900158 1078344011 /nfs/dbraw/zinc/34/40/11/1078344011.db2.gz GSWXNKOYUBXZGH-RBUKOAKNSA-N 1 0 402.583 2.726 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCC[C@H]3C)cc2F)CC1 ZINC000793945383 1078354039 /nfs/dbraw/zinc/35/40/39/1078354039.db2.gz XVCVKGJJFDWONX-MJGOQNOKSA-N 1 0 418.557 2.526 20 10 HFCDRO CC(C)(C)CCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000804526550 1078565812 /nfs/dbraw/zinc/56/58/12/1078565812.db2.gz JARCOBPFTDMFLR-UHFFFAOYSA-N 1 0 414.594 2.777 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H]3c3ccccc3)cc2F)CC1 ZINC000805007481 1078851952 /nfs/dbraw/zinc/85/19/52/1078851952.db2.gz SPFOQOTZNMSAHX-NRFANRHFSA-N 1 0 424.520 2.557 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](C)[C@@H](C)C3)cc2F)CC1 ZINC000805007576 1078852215 /nfs/dbraw/zinc/85/22/15/1078852215.db2.gz MMFQODDWVZBKLG-JENIJYKNSA-N 1 0 418.557 2.525 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](C)[C@H](C)C3)cc2F)CC1 ZINC000805007578 1078852257 /nfs/dbraw/zinc/85/22/57/1078852257.db2.gz MMFQODDWVZBKLG-ZHALLVOQSA-N 1 0 418.557 2.525 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2F)CC1 ZINC000805007076 1078852486 /nfs/dbraw/zinc/85/24/86/1078852486.db2.gz MPELKLNXEOJQLT-HKUYNNGSSA-N 1 0 418.557 2.621 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[C@H](C)CC3)cc2F)CC1 ZINC000805008058 1078853304 /nfs/dbraw/zinc/85/33/04/1078853304.db2.gz ZEICYALFUDZXRQ-HKUYNNGSSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)cc2F)CC1 ZINC000805008073 1078853313 /nfs/dbraw/zinc/85/33/13/1078853313.db2.gz ZHFVGQHNLLNTQP-KRWDZBQOSA-N 1 0 420.573 2.915 20 10 HFCDRO CCOC(=O)C(C)(C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805194878 1078969595 /nfs/dbraw/zinc/96/95/95/1078969595.db2.gz RYNFWPUWXJSKFI-UHFFFAOYSA-N 1 0 401.551 2.814 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000805636329 1079189157 /nfs/dbraw/zinc/18/91/57/1079189157.db2.gz NSIDJQGCZSTHBU-INIZCTEOSA-N 1 0 406.546 2.525 20 10 HFCDRO CCOC1CC([N@H+](C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000805820653 1079292110 /nfs/dbraw/zinc/29/21/10/1079292110.db2.gz SXRANECSYFJMQJ-FDCMFXBMSA-N 1 0 407.530 2.555 20 10 HFCDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787302232 1076751200 /nfs/dbraw/zinc/75/12/00/1076751200.db2.gz HLEJBRRKEUHYNP-UYAOXDASSA-N 1 0 409.571 2.932 20 10 HFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000787318036 1076760691 /nfs/dbraw/zinc/76/06/91/1076760691.db2.gz BSACBLWSSRHGGK-IEBWSBKVSA-N 1 0 415.500 2.841 20 10 HFCDRO C[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000787322451 1076765678 /nfs/dbraw/zinc/76/56/78/1076765678.db2.gz KHQLQHQVSYZSRB-NQIIRXRSSA-N 1 0 412.578 2.530 20 10 HFCDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)c1N ZINC000787997853 1077023790 /nfs/dbraw/zinc/02/37/90/1077023790.db2.gz BDZOQMJELWBJRS-UHFFFAOYSA-N 1 0 404.442 2.526 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000788458738 1077166069 /nfs/dbraw/zinc/16/60/69/1077166069.db2.gz DVUAISZCWCLBAS-UHFFFAOYSA-N 1 0 412.578 2.530 20 10 HFCDRO CCOc1cccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c1O ZINC000788528914 1077203252 /nfs/dbraw/zinc/20/32/52/1077203252.db2.gz JQZKPQMLKWDJSS-LJQANCHMSA-N 1 0 416.493 2.737 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCC(=O)c2cccn21 ZINC000788758159 1077278323 /nfs/dbraw/zinc/27/83/23/1077278323.db2.gz FJTCBVPPFLTKIT-QFIPXVFZSA-N 1 0 406.530 2.854 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788928568 1077338797 /nfs/dbraw/zinc/33/87/97/1077338797.db2.gz AKQOXYAKBBAMJN-RTBURBONSA-N 1 0 414.594 2.776 20 10 HFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788928627 1077339083 /nfs/dbraw/zinc/33/90/83/1077339083.db2.gz AWYRYLJGLZGNCK-WMZHIEFXSA-N 1 0 420.557 2.540 20 10 HFCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000788929497 1077339767 /nfs/dbraw/zinc/33/97/67/1077339767.db2.gz KJWGUMRKRWBYCJ-LJQANCHMSA-N 1 0 408.546 2.540 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000788952399 1077360385 /nfs/dbraw/zinc/36/03/85/1077360385.db2.gz SKMHQTNSBXXDFP-UHFFFAOYSA-N 1 0 402.583 2.729 20 10 HFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)O[C@@H](C4CC4)C3)cc2F)C[C@H](C)O1 ZINC000791554030 1077475992 /nfs/dbraw/zinc/47/59/92/1077475992.db2.gz QFPLLJSFWFRFNZ-NRVIRDBHSA-N 1 0 419.541 2.555 20 10 HFCDRO C[C@@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000789745047 1077777873 /nfs/dbraw/zinc/77/78/73/1077777873.db2.gz WJCRTFGGJBABQS-FOIQADDNSA-N 1 0 410.518 2.954 20 10 HFCDRO CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000789985069 1077885108 /nfs/dbraw/zinc/88/51/08/1077885108.db2.gz YBQDUOBXAJBAAA-ICSRJNTNSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000772799389 1077902909 /nfs/dbraw/zinc/90/29/09/1077902909.db2.gz ZBAWGZABBSKRPK-LLVKDONJSA-N 1 0 400.317 2.989 20 10 HFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798974 1077904309 /nfs/dbraw/zinc/90/43/09/1077904309.db2.gz VNCCWPDLGTWMLO-CVEARBPZSA-N 1 0 419.547 2.518 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccn(CC(F)F)n1 ZINC000790008366 1077910668 /nfs/dbraw/zinc/91/06/68/1077910668.db2.gz BSQAFIRJAOQXDW-UHFFFAOYSA-N 1 0 403.477 2.610 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc([C@@H]4CCOC4)cc3)CC2)cc1 ZINC000790135106 1077953800 /nfs/dbraw/zinc/95/38/00/1077953800.db2.gz LSIRWWPGQCCGPG-IFMALSPDSA-N 1 0 412.530 2.761 20 10 HFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc([C@@H]4CCOC4)cc3)CC2)cc1 ZINC000790135109 1077953827 /nfs/dbraw/zinc/95/38/27/1077953827.db2.gz LSIRWWPGQCCGPG-IRLDBZIGSA-N 1 0 412.530 2.761 20 10 HFCDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000792927481 1078027446 /nfs/dbraw/zinc/02/74/46/1078027446.db2.gz GDZDAEARYHYWNN-UHFFFAOYSA-N 1 0 415.513 2.621 20 10 HFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000806253946 1079522662 /nfs/dbraw/zinc/52/26/62/1079522662.db2.gz YCCIBQNMZHHGEY-HXUWFJFHSA-N 1 0 402.583 2.872 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806789112 1080010424 /nfs/dbraw/zinc/01/04/24/1080010424.db2.gz MRDYOPGHUSRYMU-JOCHJYFZSA-N 1 0 410.562 2.592 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807113374 1080291084 /nfs/dbraw/zinc/29/10/84/1080291084.db2.gz CXPTXQZOMVFYAO-SELNLUPBSA-N 1 0 422.573 2.957 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000807289596 1080456044 /nfs/dbraw/zinc/45/60/44/1080456044.db2.gz AZPIPHKLGPZMGR-UHFFFAOYSA-N 1 0 424.589 2.794 20 10 HFCDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807291072 1080457225 /nfs/dbraw/zinc/45/72/25/1080457225.db2.gz FJMNECCRVYXODC-UHFFFAOYSA-N 1 0 412.578 2.553 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000807291740 1080479643 /nfs/dbraw/zinc/47/96/43/1080479643.db2.gz MUDVHSNMVLSCGT-UHFFFAOYSA-N 1 0 410.562 2.592 20 10 HFCDRO COc1c(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775011604 1126109281 /nfs/dbraw/zinc/10/92/81/1126109281.db2.gz LSSKSCCGDYXBRO-SUMWQHHRSA-N 1 0 400.353 2.933 20 10 HFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC001474258358 1126204057 /nfs/dbraw/zinc/20/40/57/1126204057.db2.gz VXUBRUZOORDXKP-HSZRJFAPSA-N 1 0 418.509 2.763 20 10 HFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(C(F)(F)F)c1 ZINC000793043048 1078054777 /nfs/dbraw/zinc/05/47/77/1078054777.db2.gz VHUOCPYYDDPCLQ-WMLDXEAASA-N 1 0 406.470 2.597 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H](CO)CC1CCC1 ZINC000793131121 1078086861 /nfs/dbraw/zinc/08/68/61/1078086861.db2.gz HNQMXQLLNHARKE-NRFANRHFSA-N 1 0 400.567 2.569 20 10 HFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 ZINC000793247801 1078109528 /nfs/dbraw/zinc/10/95/28/1078109528.db2.gz SXQGGZHYGJAIIR-JOCHJYFZSA-N 1 0 412.582 2.843 20 10 HFCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1O ZINC000793247968 1078109547 /nfs/dbraw/zinc/10/95/47/1078109547.db2.gz XDLGKIVDWZZLEO-SFHVURJKSA-N 1 0 405.930 2.665 20 10 HFCDRO O=C1c2ccccc2C(=O)N1CCC1=CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000793306754 1078123515 /nfs/dbraw/zinc/12/35/15/1078123515.db2.gz XQZIFUUEHRSRLN-UHFFFAOYSA-N 1 0 406.438 2.939 20 10 HFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790787428 1078134590 /nfs/dbraw/zinc/13/45/90/1078134590.db2.gz FDWGZEZUZUDVLM-PXNSSMCTSA-N 1 0 414.893 2.714 20 10 HFCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C2CC2)cc1 ZINC000793717852 1078263935 /nfs/dbraw/zinc/26/39/35/1078263935.db2.gz KSKPHFOHBKICFD-OAQYLSRUSA-N 1 0 422.573 2.533 20 10 HFCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000793912242 1078335944 /nfs/dbraw/zinc/33/59/44/1078335944.db2.gz ORKFLTUYADARDZ-GUDVDZBRSA-N 1 0 414.594 2.726 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000793914257 1078336672 /nfs/dbraw/zinc/33/66/72/1078336672.db2.gz MTMWZFJSWZEZMU-IRXDYDNUSA-N 1 0 402.583 2.550 20 10 HFCDRO COc1ccc(N2CC[NH+](CCNc3nn4c(C)nnc4c4ccccc43)CC2)cc1 ZINC000804387675 1078446707 /nfs/dbraw/zinc/44/67/07/1078446707.db2.gz FHPOHJFAIFOTBU-UHFFFAOYSA-N 1 0 417.517 2.829 20 10 HFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446621 1078513783 /nfs/dbraw/zinc/51/37/83/1078513783.db2.gz LVQPOVKNKDESHK-WFNSPDMASA-N 1 0 407.514 2.530 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804644238 1078697368 /nfs/dbraw/zinc/69/73/68/1078697368.db2.gz ZPCMZWKXIVGENP-DENIHFKCSA-N 1 0 422.573 2.847 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1F ZINC000804852757 1078721422 /nfs/dbraw/zinc/72/14/22/1078721422.db2.gz FWZITUCTHKAVPK-UHFFFAOYSA-N 1 0 418.557 2.765 20 10 HFCDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805026367 1078839396 /nfs/dbraw/zinc/83/93/96/1078839396.db2.gz KYHSMWPWAAUKLH-UHFFFAOYSA-N 1 0 414.594 2.874 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cc2)CC1 ZINC000805026269 1078839414 /nfs/dbraw/zinc/83/94/14/1078839414.db2.gz HXNGVTYJZZRZFK-QFIPXVFZSA-N 1 0 412.578 2.672 20 10 HFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805024990 1078836380 /nfs/dbraw/zinc/83/63/80/1078836380.db2.gz YSULSQASUDVCBG-OAQYLSRUSA-N 1 0 414.594 2.729 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)C3CCCCCC3)cc2F)CC1 ZINC000805006752 1078850557 /nfs/dbraw/zinc/85/05/57/1078850557.db2.gz DJMIZQOKZOJUNL-UHFFFAOYSA-N 1 0 418.557 2.765 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000805007077 1078852237 /nfs/dbraw/zinc/85/22/37/1078852237.db2.gz MPELKLNXEOJQLT-IEBWSBKVSA-N 1 0 418.557 2.621 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CCC(C)(C)CC3)cc2F)CC1 ZINC000805009531 1078853679 /nfs/dbraw/zinc/85/36/79/1078853679.db2.gz LERBGQOBTFCGJX-UHFFFAOYSA-N 1 0 418.557 2.669 20 10 HFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000805637542 1079190638 /nfs/dbraw/zinc/19/06/38/1079190638.db2.gz UFAQRAAXTIQWHJ-HNNXBMFYSA-N 1 0 412.625 2.758 20 10 HFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO)cc2=O ZINC000805820375 1079291873 /nfs/dbraw/zinc/29/18/73/1079291873.db2.gz LNXJULPTBMUDLP-HOTGVXAUSA-N 1 0 412.490 2.598 20 10 HFCDRO CCOC1CC([N@H+](C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000805820652 1079291916 /nfs/dbraw/zinc/29/19/16/1079291916.db2.gz SXRANECSYFJMQJ-CCZBSFLLSA-N 1 0 407.530 2.555 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000806039867 1079410518 /nfs/dbraw/zinc/41/05/18/1079410518.db2.gz BPQAAQZZZNPNHQ-UHFFFAOYSA-N 1 0 414.525 2.618 20 10 HFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806130624 1079459104 /nfs/dbraw/zinc/45/91/04/1079459104.db2.gz CCXRCWMGGMXDNC-XLIONFOSSA-N 1 0 404.518 2.820 20 10 HFCDRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787617868 1076880409 /nfs/dbraw/zinc/88/04/09/1076880409.db2.gz UPLGVAWFKWGSGE-GHTZIAJQSA-N 1 0 402.583 2.803 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1F ZINC000788464999 1077168359 /nfs/dbraw/zinc/16/83/59/1077168359.db2.gz XAPPIAOXEKVLOE-UHFFFAOYSA-N 1 0 414.525 2.666 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CO)c3ccccc3C)cc2F)CC1 ZINC000746760452 1077276795 /nfs/dbraw/zinc/27/67/95/1077276795.db2.gz NTCNLYWRRULSAR-OAQYLSRUSA-N 1 0 414.525 2.809 20 10 HFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCC(=O)c2cccn21 ZINC000788758157 1077278274 /nfs/dbraw/zinc/27/82/74/1077278274.db2.gz FJTCBVPPFLTKIT-JOCHJYFZSA-N 1 0 406.530 2.854 20 10 HFCDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cccc21 ZINC000789533380 1077628376 /nfs/dbraw/zinc/62/83/76/1077628376.db2.gz FPAPCRFCMXZKHA-OAQYLSRUSA-N 1 0 420.513 2.703 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789657768 1077722983 /nfs/dbraw/zinc/72/29/83/1077722983.db2.gz BROVEHWNIGTHAH-JOCHJYFZSA-N 1 0 422.573 2.882 20 10 HFCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000789657560 1077723286 /nfs/dbraw/zinc/72/32/86/1077723286.db2.gz AJCSTXXASIJJMV-WIYYLYMNSA-N 1 0 408.546 2.711 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3snnc3C(C)(C)C)CC2)cc1 ZINC000789946708 1077863391 /nfs/dbraw/zinc/86/33/91/1077863391.db2.gz KFXZBJRYERJHRI-UHFFFAOYSA-N 1 0 417.579 2.786 20 10 HFCDRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000747077014 1077881742 /nfs/dbraw/zinc/88/17/42/1077881742.db2.gz CMPZARMSMAZTPW-GOSISDBHSA-N 1 0 417.550 2.734 20 10 HFCDRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000792711333 1077980075 /nfs/dbraw/zinc/98/00/75/1077980075.db2.gz IZDRPQNCPJTRAJ-GOSISDBHSA-N 1 0 412.596 2.871 20 10 HFCDRO COc1ccc(CNC(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c(O)c1 ZINC000792790482 1077991919 /nfs/dbraw/zinc/99/19/19/1077991919.db2.gz RKQIJZZQZWEONV-QGZVFWFLSA-N 1 0 403.479 2.520 20 10 HFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000806389218 1079639339 /nfs/dbraw/zinc/63/93/39/1079639339.db2.gz NQAOYTCTBWULRZ-FQEVSTJZSA-N 1 0 404.599 2.972 20 10 HFCDRO O=C(NCc1cc(Br)ccc1O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806814294 1080027413 /nfs/dbraw/zinc/02/74/13/1080027413.db2.gz NMGQLUKQOBDKQW-INIZCTEOSA-N 1 0 412.328 2.597 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000807099140 1080279513 /nfs/dbraw/zinc/27/95/13/1080279513.db2.gz LFFSYRXOMMFJME-UHFFFAOYSA-N 1 0 414.594 2.837 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000807103879 1080282545 /nfs/dbraw/zinc/28/25/45/1080282545.db2.gz WQBMVUUZJYERQA-QHCPKHFHSA-N 1 0 424.589 2.950 20 10 HFCDRO C[C@@H](OCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nccn1C ZINC000807107167 1080285833 /nfs/dbraw/zinc/28/58/33/1080285833.db2.gz GEDIJCCVEAYXDS-RHSMWYFYSA-N 1 0 406.914 2.638 20 10 HFCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807286803 1080449547 /nfs/dbraw/zinc/44/95/47/1080449547.db2.gz AJGQFSZENVJWKU-IRLDBZIGSA-N 1 0 424.589 2.792 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807289670 1080456612 /nfs/dbraw/zinc/45/66/12/1080456612.db2.gz DQWVKDGGTPGCEZ-UHFFFAOYSA-N 1 0 410.562 2.592 20 10 HFCDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807545701 1080762031 /nfs/dbraw/zinc/76/20/31/1080762031.db2.gz JNDCUDLCGVINFX-NPPFBWRTSA-N 1 0 408.546 2.567 20 10 HFCDRO Cn1c2ccc(C[NH2+]Cc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2sc1=O ZINC000793045189 1078055062 /nfs/dbraw/zinc/05/50/62/1078055062.db2.gz WVVOMSWINOCTFK-QGZVFWFLSA-N 1 0 410.543 2.592 20 10 HFCDRO Cn1c2ccc(C[NH2+]Cc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2sc1=O ZINC000793045188 1078055216 /nfs/dbraw/zinc/05/52/16/1078055216.db2.gz WVVOMSWINOCTFK-KRWDZBQOSA-N 1 0 410.543 2.592 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3C[C@H](C)O)cc2F)CC1 ZINC000790718408 1078107142 /nfs/dbraw/zinc/10/71/42/1078107142.db2.gz JUJJPQRYDBPPCW-HKUYNNGSSA-N 1 0 406.546 2.803 20 10 HFCDRO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793589387 1078217022 /nfs/dbraw/zinc/21/70/22/1078217022.db2.gz OMHBNCZIGZXKKM-AWEZNQCLSA-N 1 0 413.337 2.774 20 10 HFCDRO CCC[NH+]1CCC(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000793827299 1078318928 /nfs/dbraw/zinc/31/89/28/1078318928.db2.gz WILAFRMSCLIWDN-UHFFFAOYSA-N 1 0 413.518 2.752 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793930779 1078341475 /nfs/dbraw/zinc/34/14/75/1078341475.db2.gz LHKUXSFQXZAJLO-GHTZIAJQSA-N 1 0 408.546 2.629 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793909422 1078334862 /nfs/dbraw/zinc/33/48/62/1078334862.db2.gz GUBSUEOKDIJYMF-ROUUACIJSA-N 1 0 414.594 2.558 20 10 HFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793914506 1078336625 /nfs/dbraw/zinc/33/66/25/1078336625.db2.gz ULSCMKXOIUKTLI-OALUTQOASA-N 1 0 412.578 2.552 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[N@H+](C)C1CC1 ZINC000804430189 1078474963 /nfs/dbraw/zinc/47/49/63/1078474963.db2.gz WYHVGHUJMSNWBV-HOTGVXAUSA-N 1 0 420.985 2.791 20 10 HFCDRO CCCN1C[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1=O ZINC001129861722 1078540257 /nfs/dbraw/zinc/54/02/57/1078540257.db2.gz SFHITCBHJIKVAZ-GOSISDBHSA-N 1 0 410.562 2.783 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2)CC1 ZINC000805026398 1078839359 /nfs/dbraw/zinc/83/93/59/1078839359.db2.gz MAJUEZJLFZPKHC-UHFFFAOYSA-N 1 0 414.594 2.872 20 10 HFCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000805023768 1078835127 /nfs/dbraw/zinc/83/51/27/1078835127.db2.gz LFBHQIWNXHVLQV-UHFFFAOYSA-N 1 0 412.578 2.530 20 10 HFCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000805025672 1078838036 /nfs/dbraw/zinc/83/80/36/1078838036.db2.gz TUTSUYKUGUKJJY-UXHICEINSA-N 1 0 414.594 2.776 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3(C(F)(F)F)CC3)CC2)cc1 ZINC000805815540 1079288663 /nfs/dbraw/zinc/28/86/63/1079288663.db2.gz RDGDVFUYOVVUTM-UHFFFAOYSA-N 1 0 414.472 2.849 20 10 HFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000805940952 1079344384 /nfs/dbraw/zinc/34/43/84/1079344384.db2.gz IOOAMVLDCGLAAL-IBGZPJMESA-N 1 0 410.562 2.738 20 10 HFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806130622 1079459150 /nfs/dbraw/zinc/45/91/50/1079459150.db2.gz CCXRCWMGGMXDNC-PXNSSMCTSA-N 1 0 404.518 2.820 20 10 HFCDRO COc1cc(O)c(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000787438099 1076810991 /nfs/dbraw/zinc/81/09/91/1076810991.db2.gz HUZXKBUSFMEBQI-KRWDZBQOSA-N 1 0 406.429 2.968 20 10 HFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000787910411 1076991490 /nfs/dbraw/zinc/99/14/90/1076991490.db2.gz MBMALWRLIWYMBX-WOJBJXKFSA-N 1 0 412.578 2.553 20 10 HFCDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCCO1 ZINC000788359029 1077124542 /nfs/dbraw/zinc/12/45/42/1077124542.db2.gz LWYFGWIHHDJLEV-VOBQZIQPSA-N 1 0 422.481 2.573 20 10 HFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C ZINC000788529996 1077203854 /nfs/dbraw/zinc/20/38/54/1077203854.db2.gz UQJJDTOJHRLGLJ-HXUWFJFHSA-N 1 0 400.494 2.955 20 10 HFCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000791147376 1077307905 /nfs/dbraw/zinc/30/79/05/1077307905.db2.gz YFSWDWUEIPRXSO-UHFFFAOYSA-N 1 0 400.567 2.626 20 10 HFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CC1CCCC1 ZINC000788821031 1077308708 /nfs/dbraw/zinc/30/87/08/1077308708.db2.gz QPELJXMRVLVIOO-HXUWFJFHSA-N 1 0 413.541 2.973 20 10 HFCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000788929464 1077339355 /nfs/dbraw/zinc/33/93/55/1077339355.db2.gz JPENYYHGLGCBEB-DENIHFKCSA-N 1 0 420.557 2.682 20 10 HFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000788953169 1077361204 /nfs/dbraw/zinc/36/12/04/1077361204.db2.gz ZFTCNEDRIGEQKO-XXBNENTESA-N 1 0 422.573 2.786 20 10 HFCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000788934345 1077368069 /nfs/dbraw/zinc/36/80/69/1077368069.db2.gz WIBBHXHCBABENE-FQEVSTJZSA-N 1 0 412.534 2.695 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(CO)CC4(CCC4)C3)cc2F)CC1 ZINC000788979640 1077381925 /nfs/dbraw/zinc/38/19/25/1077381925.db2.gz GSWGVRKCPALTHI-UHFFFAOYSA-N 1 0 418.557 2.710 20 10 HFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3oc(CC4CC4)nc3C)CC2)cc1 ZINC000789611867 1077708231 /nfs/dbraw/zinc/70/82/31/1077708231.db2.gz SYKAYBGLGIGLSQ-UHFFFAOYSA-N 1 0 412.534 2.886 20 10 HFCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000806425861 1079671097 /nfs/dbraw/zinc/67/10/97/1079671097.db2.gz QWWJOTZEMTYMBS-XMSQKQJNSA-N 1 0 408.546 2.711 20 10 HFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806789114 1080010610 /nfs/dbraw/zinc/01/06/10/1080010610.db2.gz MRDYOPGHUSRYMU-QFIPXVFZSA-N 1 0 410.562 2.592 20 10 HFCDRO CC1(C)CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC[C@@H]1O ZINC000807062810 1080244127 /nfs/dbraw/zinc/24/41/27/1080244127.db2.gz KBLJXPXEYFAEIK-NRFANRHFSA-N 1 0 400.567 2.521 20 10 HFCDRO CCOC1CC(N(C)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000807063207 1080246078 /nfs/dbraw/zinc/24/60/78/1080246078.db2.gz QFBCOFIABBFVGJ-UHFFFAOYSA-N 1 0 400.567 2.928 20 10 HFCDRO Cc1noc(C(C)(C)NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000807063181 1080246114 /nfs/dbraw/zinc/24/61/14/1080246114.db2.gz PWBORJMGNWFBER-UHFFFAOYSA-N 1 0 412.538 2.645 20 10 HFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000807099421 1080279093 /nfs/dbraw/zinc/27/90/93/1080279093.db2.gz VBPUSBGROIAERX-HXUWFJFHSA-N 1 0 422.573 2.800 20 10 HFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807113100 1080289909 /nfs/dbraw/zinc/28/99/09/1080289909.db2.gz AZZCUBVSIMODTK-XXBNENTESA-N 1 0 422.573 2.738 20 10 HFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807113098 1080290038 /nfs/dbraw/zinc/29/00/38/1080290038.db2.gz AZZCUBVSIMODTK-CVDCTZTESA-N 1 0 422.573 2.738 20 10 HFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)nc(C(C)C)[nH]c3=O)cc2F)CC1 ZINC000747384071 1080441699 /nfs/dbraw/zinc/44/16/99/1080441699.db2.gz RCHJXABVMQDHHO-UHFFFAOYSA-N 1 0 415.513 2.825 20 10 HFCDRO COc1c(O)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775011600 1126109250 /nfs/dbraw/zinc/10/92/50/1126109250.db2.gz LSSKSCCGDYXBRO-DYVFJYSZSA-N 1 0 400.353 2.933 20 10 HFCDRO