smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc2c(c1)OCCO2 ZINC000329418456 835011507 /nfs/dbraw/zinc/01/15/07/835011507.db2.gz ZRHSYOJXQRNMBB-WMLDXEAASA-N 1 0 376.522 3.693 10 30 GHEERO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cn3c(n2)CCCC3)CC1 ZINC000330108924 862580446 /nfs/dbraw/zinc/58/04/46/862580446.db2.gz OJZRFYRVCCYCHD-SFHVURJKSA-N 1 0 387.572 3.610 10 30 GHEERO C=CCC[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000091868128 882192243 /nfs/dbraw/zinc/19/22/43/882192243.db2.gz XCTJDWRMJLKTSJ-VXKWHMMOSA-N 1 0 384.568 3.505 10 30 GHEERO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246876675 891319238 /nfs/dbraw/zinc/31/92/38/891319238.db2.gz FURYKSYRQRDHNU-DYESRHJHSA-N 1 0 380.492 3.679 10 30 GHEERO C=C(C)CN1C(=O)N[C@](CC)(C2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)C1=O ZINC000011782585 518602321 /nfs/dbraw/zinc/60/23/21/518602321.db2.gz IGYNSSHPUUHTLO-MZLICYQSSA-N 1 0 399.579 3.968 10 30 GHEERO C=CCC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC ZINC000036103742 570540256 /nfs/dbraw/zinc/54/02/56/570540256.db2.gz OUQNTQCSQNVZCP-LJQANCHMSA-N 1 0 399.487 3.762 10 30 GHEERO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116568352 834366428 /nfs/dbraw/zinc/36/64/28/834366428.db2.gz ONHZGEVBQFTSMO-KNQAVFIVSA-N 1 0 378.520 3.690 10 30 GHEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000329608728 835372040 /nfs/dbraw/zinc/37/20/40/835372040.db2.gz BRXLOFQDCDALMX-DYESRHJHSA-N 1 0 379.504 3.620 10 30 GHEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329552194 861650413 /nfs/dbraw/zinc/65/04/13/861650413.db2.gz CYXIWCOZXOKXLU-NMLBUPMWSA-N 1 0 385.556 3.691 10 30 GHEERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000328663054 854494831 /nfs/dbraw/zinc/49/48/31/854494831.db2.gz AWLFYPJIGSGPLN-LULLPPNCSA-N 1 0 388.508 3.697 10 30 GHEERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000328703254 854515310 /nfs/dbraw/zinc/51/53/10/854515310.db2.gz KALIPNYFENLGAB-CQEAQJRCSA-N 1 0 386.471 3.528 10 30 GHEERO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000328922832 854622773 /nfs/dbraw/zinc/62/27/73/854622773.db2.gz MSHLXVMAUQRNGA-ZLNRFVROSA-N 1 0 391.515 3.577 10 30 GHEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)n1 ZINC000329182357 861113889 /nfs/dbraw/zinc/11/38/89/861113889.db2.gz OYYTULMDFWGCEQ-NQIIRXRSSA-N 1 0 381.524 3.641 10 30 GHEERO C=CCC[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000091868130 882191733 /nfs/dbraw/zinc/19/17/33/882191733.db2.gz XCTJDWRMJLKTSJ-FGZHOGPDSA-N 1 0 384.568 3.505 10 30 GHEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC000172264969 882192836 /nfs/dbraw/zinc/19/28/36/882192836.db2.gz UERMIXCLDKRPEU-IBGZPJMESA-N 1 0 393.535 3.616 10 30 GHEERO COc1ccc2c(ccc[n+]2CC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000120291051 875784007 /nfs/dbraw/zinc/78/40/07/875784007.db2.gz UVCGNHBJARXZQH-UHFFFAOYSA-N 1 0 375.492 3.617 10 30 GHEERO N#CCCn1cc(C[N@@H+]2CCCN(c3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000184802848 883382254 /nfs/dbraw/zinc/38/22/54/883382254.db2.gz TZSFAQOUJGYNME-UHFFFAOYSA-N 1 0 386.503 3.571 10 30 GHEERO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247082080 891343812 /nfs/dbraw/zinc/34/38/12/891343812.db2.gz QMPWZOWBYAPEBW-RBUKOAKNSA-N 1 0 383.517 3.583 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)Nc1sccc1C#N ZINC000249711481 717165183 /nfs/dbraw/zinc/16/51/83/717165183.db2.gz WQWNXRAUGJFBDO-DEOSSOPVSA-O 1 0 397.480 3.826 10 30 GHEERO CCn1cc(C2CCN(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)CC2)cn1 ZINC000329852961 834923373 /nfs/dbraw/zinc/92/33/73/834923373.db2.gz RSQMITBJZZQUTI-XMSQKQJNSA-N 1 0 395.551 3.832 10 30 GHEERO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247010036 835084332 /nfs/dbraw/zinc/08/43/32/835084332.db2.gz MHIOALZPXBONOD-NZQKXSOJSA-N 1 0 392.547 3.732 10 30 GHEERO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000248234752 849555425 /nfs/dbraw/zinc/55/54/25/849555425.db2.gz SCNNDRKPXCGYBQ-UYAOXDASSA-N 1 0 392.434 3.660 10 30 GHEERO Cc1c([C@H]2OCC[C@@H]2C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cnn1C ZINC000329896403 862405137 /nfs/dbraw/zinc/40/51/37/862405137.db2.gz KWTBUCRQIOPPAZ-BUKVSMQUSA-N 1 0 396.535 3.988 10 30 GHEERO Cn1cc([C@H]2OCC[C@@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000329915989 862419932 /nfs/dbraw/zinc/41/99/32/862419932.db2.gz YQDSLUSIUIRCQI-GLHNNUHNSA-N 1 0 394.519 3.650 10 30 GHEERO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328696954 854513398 /nfs/dbraw/zinc/51/33/98/854513398.db2.gz LCEUDSXVNYDCEX-KRWDZBQOSA-N 1 0 376.545 3.720 10 30 GHEERO CC[C@@H]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000330323681 862906028 /nfs/dbraw/zinc/90/60/28/862906028.db2.gz HVHNZAAJGKSQNZ-LCLWPZTBSA-N 1 0 375.561 3.618 10 30 GHEERO Cc1ccc(S(=O)(=O)OC[C@@H]2C[N@H+](C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000098044925 525624102 /nfs/dbraw/zinc/62/41/02/525624102.db2.gz LYVSPZZHZZMALL-FXAWDEMLSA-N 1 0 377.481 3.575 10 30 GHEERO CC(C)[C@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000029414864 717118829 /nfs/dbraw/zinc/11/88/29/717118829.db2.gz QAAVJUZBXSKLLK-QFIPXVFZSA-O 1 0 375.533 3.680 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn2c1nccc2-c1ccccc1 ZINC000329170027 834502406 /nfs/dbraw/zinc/50/24/06/834502406.db2.gz JWDQZACKSLHNNP-QGZVFWFLSA-N 1 0 375.476 3.718 10 30 GHEERO COc1ccc2nc(C)cc(C(=O)NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000329648299 835524502 /nfs/dbraw/zinc/52/45/02/835524502.db2.gz FCQWEOCKEXWYNE-UHFFFAOYSA-N 1 0 383.492 3.501 10 30 GHEERO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000329672347 862003556 /nfs/dbraw/zinc/00/35/56/862003556.db2.gz UNQNYZQUJMBIPP-ZBFHGGJFSA-N 1 0 392.931 3.752 10 30 GHEERO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328745780 854525354 /nfs/dbraw/zinc/52/53/54/854525354.db2.gz PLEODRLZGBWXJE-PTGCCPEKSA-N 1 0 379.545 3.840 10 30 GHEERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000328835451 854568170 /nfs/dbraw/zinc/56/81/70/854568170.db2.gz MGILOHIWMDFRRE-UOWOHEGISA-N 1 0 376.457 3.899 10 30 GHEERO CC(C)n1cc([C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)C[C@H]2CO)cn1 ZINC000329070147 860992135 /nfs/dbraw/zinc/99/21/35/860992135.db2.gz YKKIDOHEVZJEEP-OBQKJFGGSA-N 1 0 390.572 3.641 10 30 GHEERO O=C(c1ccccc1)c1cc[n+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000160079501 863301196 /nfs/dbraw/zinc/30/11/96/863301196.db2.gz PUPWZRZCRGVJOY-HXUWFJFHSA-N 1 0 395.841 3.976 10 30 GHEERO C=C(C)CC[C@H](C)[NH+]1CCC2(CC1)[C@@H](C(=O)OC)CC(=O)N2OCCC(C)C ZINC000072152347 518589870 /nfs/dbraw/zinc/58/98/70/518589870.db2.gz FFAMSYKWWABGJZ-RBUKOAKNSA-N 1 0 394.556 3.565 10 30 GHEERO COc1ccc(C(NC(=O)C[N+](C)(C)C2CCCC2)c2ccc(OC)cc2)cc1 ZINC000029414504 717118901 /nfs/dbraw/zinc/11/89/01/717118901.db2.gz UGCNCTAUNNJECB-UHFFFAOYSA-O 1 0 397.539 3.928 10 30 GHEERO CC(C)C(=O)N1CCC(NC(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000329563968 835257805 /nfs/dbraw/zinc/25/78/05/835257805.db2.gz JYJZEVDNHITZDO-YKSBVNFPSA-N 1 0 397.563 3.892 10 30 GHEERO N#Cc1ccccc1Cn1cccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000188262018 835578118 /nfs/dbraw/zinc/57/81/18/835578118.db2.gz IRXYTRJSEXPARS-UHFFFAOYSA-N 1 0 392.547 3.533 10 30 GHEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000158990771 835672029 /nfs/dbraw/zinc/67/20/29/835672029.db2.gz MBVOIUKSGGIYIX-COPCDDAFSA-N 1 0 391.519 3.636 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCCC3(CCCCC3)C2)CCC[N@@H+]1C ZINC000329515760 861571642 /nfs/dbraw/zinc/57/16/42/861571642.db2.gz ORZDUCYBRBRLCZ-AZUAARDMSA-N 1 0 387.572 3.763 10 30 GHEERO CCc1ccc(NC(=O)c2nnc(CN3C[C@@H]4CCCC[N@@H+]4C[C@H]3C)s2)cc1 ZINC000329667985 861977203 /nfs/dbraw/zinc/97/72/03/861977203.db2.gz RUTFDPMDNMCVIE-QAPCUYQASA-N 1 0 399.564 3.795 10 30 GHEERO Cn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000329879512 862392209 /nfs/dbraw/zinc/39/22/09/862392209.db2.gz MIWMKUYXWPNGBG-IWKCEXAMSA-N 1 0 388.537 3.599 10 30 GHEERO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171891736 854265037 /nfs/dbraw/zinc/26/50/37/854265037.db2.gz JDDLKYQRCJNDNF-GOSISDBHSA-N 1 0 376.460 3.971 10 30 GHEERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000328663055 854495240 /nfs/dbraw/zinc/49/52/40/854495240.db2.gz AWLFYPJIGSGPLN-OWYHZJEWSA-N 1 0 388.508 3.697 10 30 GHEERO N#Cc1ccc(OCc2cccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)cc1 ZINC000115360351 858505535 /nfs/dbraw/zinc/50/55/35/858505535.db2.gz CODZBRKOXSJLFV-UHFFFAOYSA-N 1 0 389.499 3.838 10 30 GHEERO C=C(C)CC[C@@H](C)[NH+]1CCC2(CC1)[C@H](C(=O)OC)CC(=O)N2OCCC(C)C ZINC000072152350 518589908 /nfs/dbraw/zinc/58/99/08/518589908.db2.gz FFAMSYKWWABGJZ-MOPGFXCFSA-N 1 0 394.556 3.565 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)[C@H](C)C(=O)Nc1cc(C)on1 ZINC000249705260 717165138 /nfs/dbraw/zinc/16/51/38/717165138.db2.gz MMWDGVCAUOIVDF-YEBMWUKDSA-O 1 0 385.444 3.578 10 30 GHEERO CCOc1ccccc1[C@H](CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)NC(C)=O ZINC000329629807 835467434 /nfs/dbraw/zinc/46/74/34/835467434.db2.gz HSHGEURVIJGEHZ-QRFRQXIXSA-N 1 0 387.524 3.578 10 30 GHEERO CCc1nccn1[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329695546 862099402 /nfs/dbraw/zinc/09/94/02/862099402.db2.gz XOOGBLMUXBRKAE-GOSISDBHSA-N 1 0 375.561 3.651 10 30 GHEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000330092183 862569208 /nfs/dbraw/zinc/56/92/08/862569208.db2.gz YLCSGWMHUOHLHA-VVWQDTPRSA-N 1 0 388.537 3.599 10 30 GHEERO C[C@@H]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329195126 861125804 /nfs/dbraw/zinc/12/58/04/861125804.db2.gz SGOJSMZKDAVKRZ-AJYBTWMASA-N 1 0 375.561 3.618 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)Nc1ccccc1OC ZINC000249702036 717164838 /nfs/dbraw/zinc/16/48/38/717164838.db2.gz IXFZAECCXJFXOG-RUZDIDTESA-O 1 0 396.467 3.901 10 30 GHEERO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc(OC)c1Br ZINC000329167908 834499878 /nfs/dbraw/zinc/49/98/78/834499878.db2.gz ITKLCXYDFQUOLM-CYBMUJFWSA-N 1 0 397.313 3.788 10 30 GHEERO C[C@H]1C[N@@H+](C2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)CCO1 ZINC000180411630 838570779 /nfs/dbraw/zinc/57/07/79/838570779.db2.gz ANDOOZVAIIBYLJ-ZDUSSCGKSA-N 1 0 388.874 3.588 10 30 GHEERO CCn1cc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)cn1 ZINC000301400452 841178706 /nfs/dbraw/zinc/17/87/06/841178706.db2.gz IIUOHJKPQJJOLK-UHFFFAOYSA-N 1 0 388.519 3.652 10 30 GHEERO CC1(C)CCc2ccccc2[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000328697974 854514179 /nfs/dbraw/zinc/51/41/79/854514179.db2.gz HJBUPQSMARADFY-HXUWFJFHSA-N 1 0 385.552 3.849 10 30 GHEERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000328781836 854554346 /nfs/dbraw/zinc/55/43/46/854554346.db2.gz UYXSZXVAMPURRD-MJGOQNOKSA-N 1 0 390.572 3.919 10 30 GHEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)N[C@@H](C)c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000330281652 862719079 /nfs/dbraw/zinc/71/90/79/862719079.db2.gz ACMBFWPXBVRZFT-TXPKVOOTSA-N 1 0 389.569 3.862 10 30 GHEERO N#Cc1cccc(OCc2cccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)c1 ZINC000115360335 858505550 /nfs/dbraw/zinc/50/55/50/858505550.db2.gz VATJKCMIIPANMO-UHFFFAOYSA-N 1 0 389.499 3.838 10 30 GHEERO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329132018 861052535 /nfs/dbraw/zinc/05/25/35/861052535.db2.gz PAIFMUVOBPHDCQ-NJHPSFRLSA-N 1 0 389.588 3.659 10 30 GHEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000329165557 861091633 /nfs/dbraw/zinc/09/16/33/861091633.db2.gz HMSKEEBTINTVKO-DOTOQJQBSA-N 1 0 375.538 3.716 10 30 GHEERO CC1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C2)CC1 ZINC000132045113 887601166 /nfs/dbraw/zinc/60/11/66/887601166.db2.gz 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ISUXUGPMEUVBJQ-NJYVYQBISA-N 1 0 385.552 3.582 10 30 GHEERO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000328728336 854538622 /nfs/dbraw/zinc/53/86/22/854538622.db2.gz VOYJLBYAVXYMEW-FPOVZHCZSA-N 1 0 398.482 3.672 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329059635 860983280 /nfs/dbraw/zinc/98/32/80/860983280.db2.gz NDONPPYWBHNJFO-NJYSJTHYSA-N 1 0 387.572 3.618 10 30 GHEERO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3cccnc3)CC2)ccc1OC ZINC000180811110 883126176 /nfs/dbraw/zinc/12/61/76/883126176.db2.gz BGPAQBZRKNQKJG-NRFANRHFSA-N 1 0 394.519 3.525 10 30 GHEERO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184520677 883350996 /nfs/dbraw/zinc/35/09/96/883350996.db2.gz AMDPIRLJTSJAJA-MWTRTKDXSA-N 1 0 380.463 3.982 10 30 GHEERO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246876711 891319484 /nfs/dbraw/zinc/31/94/84/891319484.db2.gz FURYKSYRQRDHNU-LAUBAEHRSA-N 1 0 380.492 3.679 10 30 GHEERO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333710326 902284266 /nfs/dbraw/zinc/28/42/66/902284266.db2.gz SFFXRXRMDSNSOA-OXJNMPFZSA-N 1 0 388.874 3.622 10 30 GHEERO C[C@H](C(=O)Nc1ccc(I)cc1)[N+](C)(C)C1CCCC1 ZINC000029415073 717118805 /nfs/dbraw/zinc/11/88/05/717118805.db2.gz WWVDSSVCNKZWPU-GFCCVEGCSA-O 1 0 387.285 3.637 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]2C2CCCCC2)CCC[N@@H+]1C ZINC000329480305 861514222 /nfs/dbraw/zinc/51/42/22/861514222.db2.gz PFNWCQJLLKLOMJ-QKNQBKEWSA-N 1 0 387.572 3.762 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H]2C2CCCCC2)CCC[N@@H+]1C ZINC000329480303 861514908 /nfs/dbraw/zinc/51/49/08/861514908.db2.gz PFNWCQJLLKLOMJ-IRFCIJBXSA-N 1 0 387.572 3.762 10 30 GHEERO COc1ccc(C[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc1OCCCC#N ZINC000174430430 882469626 /nfs/dbraw/zinc/46/96/26/882469626.db2.gz DJKMTVHALFDMQW-UHFFFAOYSA-N 1 0 394.519 3.840 10 30 GHEERO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](NC(=O)c1ccccn1)c1ccnc2ccccc21 ZINC000096029536 914044006 /nfs/dbraw/zinc/04/40/06/914044006.db2.gz DKBSGEPCDLMFJP-XZUXRINTSA-N 1 0 398.510 3.997 10 30 GHEERO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000588577746 834565934 /nfs/dbraw/zinc/56/59/34/834565934.db2.gz IVPRROFCHLGWSV-CFKHXJFWSA-N 1 0 383.467 3.598 10 30 GHEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329676180 835653247 /nfs/dbraw/zinc/65/32/47/835653247.db2.gz VZWWPOLCCKESHZ-GJZGRUSLSA-N 1 0 393.915 3.648 10 30 GHEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000328643821 854487091 /nfs/dbraw/zinc/48/70/91/854487091.db2.gz ALSICTSILRDXAC-GOSISDBHSA-N 1 0 396.535 3.548 10 30 GHEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)N[C@@H]2CCc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000330339409 862988978 /nfs/dbraw/zinc/98/89/78/862988978.db2.gz WPSGAUSSPWKRIJ-VLCRHTCISA-N 1 0 395.551 3.726 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000329211478 861149383 /nfs/dbraw/zinc/14/93/83/861149383.db2.gz ZGHHVVJXUPVYOQ-YQVWRLOYSA-N 1 0 375.561 3.618 10 30 GHEERO CCCCn1cc[n+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000182700711 883231718 /nfs/dbraw/zinc/23/17/18/883231718.db2.gz OSTSNPMCWUXSCZ-SFHVURJKSA-N 1 0 380.434 3.958 10 30 GHEERO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3nccs3)C1)CCC2 ZINC000103473059 885024106 /nfs/dbraw/zinc/02/41/06/885024106.db2.gz DHWZVMWMJTUBIC-ZDUSSCGKSA-N 1 0 386.546 3.773 10 30 GHEERO Cc1ccc2c(ncc(C#N)c2N2CCC[C@]3(CC[NH2+]C3)C2)c1Br ZINC000333511636 902148131 /nfs/dbraw/zinc/14/81/31/902148131.db2.gz JFERKNTZEHYOTI-LJQANCHMSA-N 1 0 385.309 3.757 10 30 GHEERO CCCCCCCC(=O)O[C@@H](CN1CCCC1=O)C[N+]1(C)CCCCCC1 ZINC000103602539 519966786 /nfs/dbraw/zinc/96/67/86/519966786.db2.gz YOJSOZXRVPMQHQ-FQEVSTJZSA-N 1 0 381.581 3.902 10 30 GHEERO CCn1cc(C2CCN(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)CC2)cn1 ZINC000329852960 834922677 /nfs/dbraw/zinc/92/26/77/834922677.db2.gz RSQMITBJZZQUTI-PGRDOPGGSA-N 1 0 395.551 3.832 10 30 GHEERO CC(=O)NCC1CCN(C(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000329698138 835720124 /nfs/dbraw/zinc/72/01/24/835720124.db2.gz FNEJNMQTTGABST-GGAORHGYSA-N 1 0 383.536 3.504 10 30 GHEERO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247023940 836584059 /nfs/dbraw/zinc/58/40/59/836584059.db2.gz YBJHAWMIFCEVDE-TZIWHRDSSA-N 1 0 381.451 3.614 10 30 GHEERO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)c1 ZINC000106224887 840805851 /nfs/dbraw/zinc/80/58/51/840805851.db2.gz MWDPQMUHZYVPRP-INIZCTEOSA-N 1 0 397.548 3.669 10 30 GHEERO CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)CC1 ZINC000328703830 854515302 /nfs/dbraw/zinc/51/53/02/854515302.db2.gz KHWHJZCUNWREBB-ICSRJNTNSA-N 1 0 386.471 3.530 10 30 GHEERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328790362 854558283 /nfs/dbraw/zinc/55/82/83/854558283.db2.gz YSUJTMXDISZLBG-SQNIBIBYSA-N 1 0 376.545 3.528 10 30 GHEERO O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CCCCN1C1CCCC1 ZINC000330287776 862724478 /nfs/dbraw/zinc/72/44/78/862724478.db2.gz CPEPQFFOSNLDRR-ROUUACIJSA-N 1 0 376.522 3.659 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329059640 860983517 /nfs/dbraw/zinc/98/35/17/860983517.db2.gz NDONPPYWBHNJFO-VDRZXAFZSA-N 1 0 387.572 3.618 10 30 GHEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCOc4ccccc43)CC2)c1 ZINC000329185288 861113809 /nfs/dbraw/zinc/11/38/09/861113809.db2.gz QCCYUVTXDKYIRE-YLJYHZDGSA-N 1 0 382.508 3.772 10 30 GHEERO C=CCOc1cccc(C(=O)N2CCOc3ccc(C[NH+]4CCCC4)cc3C2)c1 ZINC000014878867 519052532 /nfs/dbraw/zinc/05/25/32/519052532.db2.gz WYMPJTYYXCZHHG-UHFFFAOYSA-N 1 0 392.499 3.882 10 30 GHEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329676181 835652717 /nfs/dbraw/zinc/65/27/17/835652717.db2.gz VZWWPOLCCKESHZ-HUUCEWRRSA-N 1 0 393.915 3.648 10 30 GHEERO CC(C)c1nnc2ccc(NC(=O)N3CCN(Cc4ccccc4)C[C@@H]3C)cn21 ZINC000328753971 840260796 /nfs/dbraw/zinc/26/07/96/840260796.db2.gz SETOCWVCERRKAG-KRWDZBQOSA-N 1 0 392.507 3.605 10 30 GHEERO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000329028430 845644818 /nfs/dbraw/zinc/64/48/18/845644818.db2.gz AELCRLGVPJULTQ-LJQANCHMSA-N 1 0 377.488 3.782 10 30 GHEERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000329630649 861850831 /nfs/dbraw/zinc/85/08/31/861850831.db2.gz QXQWODISOXRYRC-COPCDDAFSA-N 1 0 386.536 3.920 10 30 GHEERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000328720470 854503101 /nfs/dbraw/zinc/50/31/01/854503101.db2.gz QPZSNBBVVDOXDN-GEBXKSAFSA-N 1 0 398.482 3.671 10 30 GHEERO CN(C(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328711397 854518489 /nfs/dbraw/zinc/51/84/89/854518489.db2.gz BYAGVFZBSBPRRH-RTBURBONSA-N 1 0 384.524 3.538 10 30 GHEERO O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000328717961 854520742 /nfs/dbraw/zinc/52/07/42/854520742.db2.gz UVIIHXQHMCDJBB-QZTJIDSGSA-N 1 0 376.545 3.530 10 30 GHEERO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000106038445 875712346 /nfs/dbraw/zinc/71/23/46/875712346.db2.gz GTRBVJOJXNCUKR-UHFFFAOYSA-N 1 0 377.488 3.709 10 30 GHEERO N#CCCn1cc(C[NH+]2CCC(Nc3nccs3)CC2)c(-c2ccccc2)n1 ZINC000189956693 884026031 /nfs/dbraw/zinc/02/60/31/884026031.db2.gz BYBVSQZQXLOHAH-UHFFFAOYSA-N 1 0 392.532 3.997 10 30 GHEERO COc1c2c(cc3c1[C@@H](CC(=O)/C=C\c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000033776559 717122119 /nfs/dbraw/zinc/12/21/19/717122119.db2.gz XMLKRVFIXBNAEE-ZBTAVZRMSA-N 1 0 380.464 3.770 10 30 GHEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn2c1nccc2-c1ccccc1 ZINC000329170026 834502158 /nfs/dbraw/zinc/50/21/58/834502158.db2.gz JWDQZACKSLHNNP-KRWDZBQOSA-N 1 0 375.476 3.718 10 30 GHEERO C[C@@H]1C[N@@H+](C2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)CCO1 ZINC000180411613 838571312 /nfs/dbraw/zinc/57/13/12/838571312.db2.gz ANDOOZVAIIBYLJ-CYBMUJFWSA-N 1 0 388.874 3.588 10 30 GHEERO Cc1c([C@H]2OCC[C@@H]2C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cnn1C ZINC000329896404 862405245 /nfs/dbraw/zinc/40/52/45/862405245.db2.gz KWTBUCRQIOPPAZ-BUVFEPMLSA-N 1 0 396.535 3.988 10 30 GHEERO CC(C)c1nc([C@H]2CCCN(C(=O)NCC3([NH+](C)C)CCCCCC3)C2)no1 ZINC000328860737 854583120 /nfs/dbraw/zinc/58/31/20/854583120.db2.gz FDBSKNJRQADDFO-KRWDZBQOSA-N 1 0 391.560 3.941 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000329075023 860997124 /nfs/dbraw/zinc/99/71/24/860997124.db2.gz PLDCJFXPAAXCRC-QXAKKESOSA-N 1 0 375.561 3.618 10 30 GHEERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)c2ccc(F)cc2C1 ZINC000184514997 883350622 /nfs/dbraw/zinc/35/06/22/883350622.db2.gz LEEXLLGOGTWKIU-QRQCRPRQSA-N 1 0 381.451 3.872 10 30 GHEERO Cc1sc(NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c(C#N)c1C ZINC000246477550 891271837 /nfs/dbraw/zinc/27/18/37/891271837.db2.gz HHZAGLXLIBBWSA-GDBMZVCRSA-N 1 0 389.546 3.825 10 30 GHEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000246786339 891306526 /nfs/dbraw/zinc/30/65/26/891306526.db2.gz MBVOIUKSGGIYIX-BVYCBKJFSA-N 1 0 391.519 3.636 10 30 GHEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000246786408 891307311 /nfs/dbraw/zinc/30/73/11/891307311.db2.gz MBVOIUKSGGIYIX-STZQEDGTSA-N 1 0 391.519 3.636 10 30 GHEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000329806431 834560978 /nfs/dbraw/zinc/56/09/78/834560978.db2.gz LHPWMGSUYZSECM-KCXAZCMYSA-N 1 0 396.329 3.505 10 30 GHEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000329365339 834912836 /nfs/dbraw/zinc/91/28/36/834912836.db2.gz GKCQQYLKCDNPJA-RDJZCZTQSA-N 1 0 379.435 3.798 10 30 GHEERO C[C@@H]1C[NH+](CC2CCN(C([O-])=[NH+]c3nc4ccsc4s3)CC2)C[C@@H](C)O1 ZINC000329547387 835221763 /nfs/dbraw/zinc/22/17/63/835221763.db2.gz IJPOLRYQFBZRGN-CHWSQXEVSA-N 1 0 394.566 3.725 10 30 GHEERO Cn1cncc1[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCO1 ZINC000330330827 843689958 /nfs/dbraw/zinc/68/99/58/843689958.db2.gz NPFHBLPDXUYXMO-FQLMCAECSA-N 1 0 388.434 3.513 10 30 GHEERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000329630652 861850664 /nfs/dbraw/zinc/85/06/64/861850664.db2.gz QXQWODISOXRYRC-NYVOZVTQSA-N 1 0 386.536 3.920 10 30 GHEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](C[NH+]3CCCCCC3)C1)CCC2 ZINC000328658260 854492033 /nfs/dbraw/zinc/49/20/33/854492033.db2.gz QSIABXSMJZGVAC-UXHICEINSA-N 1 0 387.572 3.571 10 30 GHEERO Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)[nH]n1 ZINC000328744066 854525428 /nfs/dbraw/zinc/52/54/28/854525428.db2.gz ORIBHZQLZVYCFC-NHCUHLMSSA-N 1 0 395.551 3.866 10 30 GHEERO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)[C@@H]1c1ccccc1 ZINC000328989826 854643646 /nfs/dbraw/zinc/64/36/46/854643646.db2.gz FGADQIRRQBKLMN-ANZUNKEZSA-N 1 0 385.552 3.751 10 30 GHEERO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(Cc3cccnc3)CC2)ccc1OC ZINC000180811125 883126055 /nfs/dbraw/zinc/12/60/55/883126055.db2.gz BGPAQBZRKNQKJG-OAQYLSRUSA-N 1 0 394.519 3.525 10 30 GHEERO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329740891 835839886 /nfs/dbraw/zinc/83/98/86/835839886.db2.gz VPIUPYSNRCMJGO-WMZHIEFXSA-N 1 0 384.520 3.718 10 30 GHEERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328730479 839549917 /nfs/dbraw/zinc/54/99/17/839549917.db2.gz HZYLDAWLUSAHRS-AWRGLXIESA-N 1 0 399.579 3.828 10 30 GHEERO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329287897 861247769 /nfs/dbraw/zinc/24/77/69/861247769.db2.gz PUUWDBXEYAYZTB-SFNKJDCFSA-N 1 0 375.561 3.521 10 30 GHEERO COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCC(=O)N2C)cc1 ZINC000329452973 861456770 /nfs/dbraw/zinc/45/67/70/861456770.db2.gz MKQLVRKWLSLBQI-UCNVEGJOSA-N 1 0 399.535 3.578 10 30 GHEERO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000328810119 854544354 /nfs/dbraw/zinc/54/43/54/854544354.db2.gz MGPRVGPXMLCJRM-UWJYYQICSA-N 1 0 395.551 3.944 10 30 GHEERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328781830 854554068 /nfs/dbraw/zinc/55/40/68/854554068.db2.gz UYXSZXVAMPURRD-IEBWSBKVSA-N 1 0 390.572 3.919 10 30 GHEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329659209 835552528 /nfs/dbraw/zinc/55/25/28/835552528.db2.gz NZJCZBOARWNYLO-JNEKLRAESA-N 1 0 387.568 3.635 10 30 GHEERO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000330113533 839576057 /nfs/dbraw/zinc/57/60/57/839576057.db2.gz DBBAFNOAZSEMFW-ORAYPTAESA-N 1 0 379.888 3.828 10 30 GHEERO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000329627344 861817544 /nfs/dbraw/zinc/81/75/44/861817544.db2.gz GYFONYJTDVQIOW-UWJYYQICSA-N 1 0 395.551 3.504 10 30 GHEERO CCc1ccc(NC(=O)c2nnc(CN3C[C@H]4CCCC[N@@H+]4C[C@@H]3C)s2)cc1 ZINC000329667983 861976925 /nfs/dbraw/zinc/97/69/25/861976925.db2.gz RUTFDPMDNMCVIE-MAUKXSAKSA-N 1 0 399.564 3.795 10 30 GHEERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)C1 ZINC000328733494 854541259 /nfs/dbraw/zinc/54/12/59/854541259.db2.gz YBARKKOTUIKWCW-QRFRQXIXSA-N 1 0 386.471 3.530 10 30 GHEERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)C1 ZINC000328733493 854541425 /nfs/dbraw/zinc/54/14/25/854541425.db2.gz YBARKKOTUIKWCW-KPFFTGBYSA-N 1 0 386.471 3.530 10 30 GHEERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330340909 863022298 /nfs/dbraw/zinc/02/22/98/863022298.db2.gz YOEFDOFPMZYKKL-MJUUVYJYSA-N 1 0 389.588 3.864 10 30 GHEERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)c2ccc(F)cc2C1 ZINC000184514963 883351251 /nfs/dbraw/zinc/35/12/51/883351251.db2.gz LEEXLLGOGTWKIU-IVZQSRNASA-N 1 0 381.451 3.872 10 30 GHEERO COc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1OCCCC#N ZINC000121800114 886568744 /nfs/dbraw/zinc/56/87/44/886568744.db2.gz RILWTEGHNDRDFY-UHFFFAOYSA-N 1 0 382.508 3.566 10 30 GHEERO CC[C@H](C)C(=O)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309704 523825321 /nfs/dbraw/zinc/82/53/21/523825321.db2.gz UREFLCFUSVYYKC-KRWDZBQOSA-N 1 0 391.519 3.925 10 30 GHEERO C[C@@H](C(=O)Nc1ccccc1I)[N+](C)(C)C1CCCC1 ZINC000029415221 717118837 /nfs/dbraw/zinc/11/88/37/717118837.db2.gz SOADSVWOBYPPIE-LBPRGKRZSA-O 1 0 387.285 3.637 10 30 GHEERO O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000329361048 834915772 /nfs/dbraw/zinc/91/57/72/834915772.db2.gz IIMMMEZHYFTDGN-KRWDZBQOSA-N 1 0 399.882 3.697 10 30 GHEERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329287899 861247973 /nfs/dbraw/zinc/24/79/73/861247973.db2.gz PUUWDBXEYAYZTB-VUHPKUFZSA-N 1 0 375.561 3.521 10 30 GHEERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000328835450 854568683 /nfs/dbraw/zinc/56/86/83/854568683.db2.gz MGILOHIWMDFRRE-LUFJJVMOSA-N 1 0 376.457 3.899 10 30 GHEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000330341986 859393791 /nfs/dbraw/zinc/39/37/91/859393791.db2.gz ZZVUHRSVYOXFDX-PIKOESSRSA-N 1 0 375.561 3.618 10 30 GHEERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329132014 861053002 /nfs/dbraw/zinc/05/30/02/861053002.db2.gz PAIFMUVOBPHDCQ-FUEPZEPRSA-N 1 0 389.588 3.659 10 30 GHEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329205832 861139417 /nfs/dbraw/zinc/13/94/17/861139417.db2.gz ZJQJBHCQHLOTIR-GWVGAJKQSA-N 1 0 385.556 3.532 10 30 GHEERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000116385487 886360091 /nfs/dbraw/zinc/36/00/91/886360091.db2.gz AGUDSOZGTSTMMN-CVDCTZTESA-N 1 0 378.520 3.764 10 30 GHEERO C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000129919932 887366868 /nfs/dbraw/zinc/36/68/68/887366868.db2.gz QEHCEWVQPRGMBM-JRKSUXNKSA-N 1 0 395.528 3.863 10 30 GHEERO C=C(C)CN1C(=O)N[C@@](CC)(C2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)C1=O ZINC000011782584 518602081 /nfs/dbraw/zinc/60/20/81/518602081.db2.gz IGYNSSHPUUHTLO-SKPFHBQLSA-N 1 0 399.579 3.968 10 30 GHEERO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)s3)CC2)cc1 ZINC000179385512 835668690 /nfs/dbraw/zinc/66/86/90/835668690.db2.gz ZJLKGLPDZBFFOT-OAHLLOKOSA-N 1 0 383.517 3.974 10 30 GHEERO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)s2)CC1 ZINC000134848123 836078887 /nfs/dbraw/zinc/07/88/87/836078887.db2.gz RHIPPUSWOGSYSL-HNNXBMFYSA-N 1 0 383.517 3.513 10 30 GHEERO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329276607 861234015 /nfs/dbraw/zinc/23/40/15/861234015.db2.gz LHJWIAWGLKBARQ-AJYBTWMASA-N 1 0 389.588 3.864 10 30 GHEERO O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000328717962 854520874 /nfs/dbraw/zinc/52/08/74/854520874.db2.gz UVIIHXQHMCDJBB-ZWKOTPCHSA-N 1 0 376.545 3.530 10 30 GHEERO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000328922833 854623152 /nfs/dbraw/zinc/62/31/52/854623152.db2.gz MSHLXVMAUQRNGA-ZRBLBEILSA-N 1 0 391.515 3.577 10 30 GHEERO CC[C@@H]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1 ZINC000330323682 862905860 /nfs/dbraw/zinc/90/58/60/862905860.db2.gz HVHNZAAJGKSQNZ-PIKOESSRSA-N 1 0 375.561 3.618 10 30 GHEERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c2ccc(F)cc2C1 ZINC000185349838 883439110 /nfs/dbraw/zinc/43/91/10/883439110.db2.gz IFZCFPDZABXIHW-IVZQSRNASA-N 1 0 381.451 3.700 10 30 GHEERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccc(F)cc2C1 ZINC000185352575 883439617 /nfs/dbraw/zinc/43/96/17/883439617.db2.gz KHPBKCFIPWQZNN-HSZRJFAPSA-N 1 0 394.494 3.759 10 30 GHEERO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116568354 886365553 /nfs/dbraw/zinc/36/55/53/886365553.db2.gz ONHZGEVBQFTSMO-UGKGYDQZSA-N 1 0 378.520 3.690 10 30 GHEERO O=C(c1ccsc1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309716 526860804 /nfs/dbraw/zinc/86/08/04/526860804.db2.gz NQFXAVARBOIQAQ-UHFFFAOYSA-N 1 0 395.532 3.997 10 30 GHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000407987183 838403447 /nfs/dbraw/zinc/40/34/47/838403447.db2.gz WWIUFSKVFAFUEG-HNNXBMFYSA-N 1 0 384.911 3.758 10 30 GHEERO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329738237 862277534 /nfs/dbraw/zinc/27/75/34/862277534.db2.gz MRNQWSLILLYXQR-OHUMZHCVSA-N 1 0 384.520 3.583 10 30 GHEERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 ZINC000329915360 862419789 /nfs/dbraw/zinc/41/97/89/862419789.db2.gz YGDXDGROMUEGDA-TYCQWZJGSA-N 1 0 382.508 3.680 10 30 GHEERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000328721068 854503218 /nfs/dbraw/zinc/50/32/18/854503218.db2.gz QZMPANSOMOUSPU-WBHLOVLFSA-N 1 0 398.482 3.528 10 30 GHEERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@@H]1c1cccs1 ZINC000328731160 854539659 /nfs/dbraw/zinc/53/96/59/854539659.db2.gz GKGNCGMVGJRWQU-QGPMSJSTSA-N 1 0 390.553 3.676 10 30 GHEERO CC(C)c1nc([C@@H]2CCCN(C(=O)NCC3([NH+](C)C)CCCCCC3)C2)no1 ZINC000328860738 854583269 /nfs/dbraw/zinc/58/32/69/854583269.db2.gz FDBSKNJRQADDFO-QGZVFWFLSA-N 1 0 391.560 3.941 10 30 GHEERO CC(C)[C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[NH+]1CCC(C)CC1 ZINC000328941830 854609859 /nfs/dbraw/zinc/60/98/59/854609859.db2.gz LFBNOVJENNPAKQ-YZGWKJHDSA-N 1 0 376.545 3.601 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCCC1(C)C ZINC000329075024 860996761 /nfs/dbraw/zinc/99/67/61/860996761.db2.gz PLDCJFXPAAXCRC-YTQUADARSA-N 1 0 375.561 3.618 10 30 GHEERO C=CCc1cc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc(OC)c1O ZINC000185363505 883441328 /nfs/dbraw/zinc/44/13/28/883441328.db2.gz MOSUUSHEKZTKBE-NRFANRHFSA-N 1 0 398.478 3.852 10 30 GHEERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000116385484 886360363 /nfs/dbraw/zinc/36/03/63/886360363.db2.gz AGUDSOZGTSTMMN-XXBNENTESA-N 1 0 378.520 3.764 10 30 GHEERO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)CCC2 ZINC000029415873 717119410 /nfs/dbraw/zinc/11/94/10/717119410.db2.gz OESYWWAYFUOQDG-ZDUSSCGKSA-O 1 0 379.546 3.760 10 30 GHEERO COc1ccc(Cl)cc1CON=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000105500905 843652057 /nfs/dbraw/zinc/65/20/57/843652057.db2.gz STBNRSQKPNYLKX-UHFFFAOYSA-N 1 0 386.782 3.796 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCCC23CCCC3)CCC[N@@H+]1C ZINC000329815694 862340604 /nfs/dbraw/zinc/34/06/04/862340604.db2.gz NXPWAOQVEGSNQT-DFQSSKMNSA-N 1 0 387.572 3.810 10 30 GHEERO CC(=O)c1ccc(-n2cc[n+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)cc1 ZINC000182242681 883212738 /nfs/dbraw/zinc/21/27/38/883212738.db2.gz AFZHTSVDXVXBLV-HXUWFJFHSA-N 1 0 398.845 3.738 10 30 GHEERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c2ccc(F)cc2C1 ZINC000185349824 883437529 /nfs/dbraw/zinc/43/75/29/883437529.db2.gz IFZCFPDZABXIHW-OYHNWAKOSA-N 1 0 381.451 3.700 10 30 GHEERO C=CCC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1 ZINC000036095892 570535406 /nfs/dbraw/zinc/53/54/06/570535406.db2.gz XUIOHAAKDSHHNA-IBGZPJMESA-N 1 0 399.487 3.762 10 30 GHEERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N ZINC000187931069 835197383 /nfs/dbraw/zinc/19/73/83/835197383.db2.gz QFFSANMAMHQZOS-CPJSRVTESA-N 1 0 399.542 3.803 10 30 GHEERO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)s3)CC2)cc1 ZINC000179385502 835668516 /nfs/dbraw/zinc/66/85/16/835668516.db2.gz ZJLKGLPDZBFFOT-HNNXBMFYSA-N 1 0 383.517 3.974 10 30 GHEERO Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)c(C)c1S(=O)(=O)NC1CC1 ZINC000330208672 839330934 /nfs/dbraw/zinc/33/09/34/839330934.db2.gz BFEZXOXEVZCSSZ-OAHLLOKOSA-N 1 0 393.553 3.597 10 30 GHEERO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000330113530 839575808 /nfs/dbraw/zinc/57/58/08/839575808.db2.gz DBBAFNOAZSEMFW-DJJJIMSYSA-N 1 0 379.888 3.828 10 30 GHEERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1cccc(-n3ccnc3)c1)CC2 ZINC000329794161 862326722 /nfs/dbraw/zinc/32/67/22/862326722.db2.gz BRZPZEIVUYIXDT-QFUCXCTJSA-N 1 0 381.524 3.794 10 30 GHEERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)C1 ZINC000328923863 854623755 /nfs/dbraw/zinc/62/37/55/854623755.db2.gz VDZAQTIJUNYYGC-QGZVFWFLSA-N 1 0 379.508 3.873 10 30 GHEERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000329017962 860950685 /nfs/dbraw/zinc/95/06/85/860950685.db2.gz KUEVOZKCCNUMMG-YQVWRLOYSA-N 1 0 376.545 3.745 10 30 GHEERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC1 ZINC000329041304 860970265 /nfs/dbraw/zinc/97/02/65/860970265.db2.gz STIBMFDUQKMFHY-NSISKUIASA-N 1 0 382.508 3.680 10 30 GHEERO O=C(c1ccccc1)c1cc[n+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000182241428 883213678 /nfs/dbraw/zinc/21/36/78/883213678.db2.gz IFCNMVMBRXFTAM-FQEVSTJZSA-N 1 0 395.841 3.976 10 30 GHEERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c2ccc(F)cc2C1 ZINC000185349859 883439686 /nfs/dbraw/zinc/43/96/86/883439686.db2.gz IFZCFPDZABXIHW-NYHFZMIOSA-N 1 0 381.451 3.700 10 30 GHEERO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)c1ccccc1O2 ZINC000193931645 887859756 /nfs/dbraw/zinc/85/97/56/887859756.db2.gz OPBBXWVOKGENSM-LCCNJJIFSA-N 1 0 387.483 3.676 10 30 GHEERO O=C(Cn1cc[n+](CC(=O)c2ccc(Cl)s2)c1)c1ccc(Cl)s1 ZINC000002570424 527373015 /nfs/dbraw/zinc/37/30/15/527373015.db2.gz GHOLMIIUUXVPKW-UHFFFAOYSA-N 1 0 386.305 3.971 10 30 GHEERO CC1(C)CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000328722447 854503934 /nfs/dbraw/zinc/50/39/34/854503934.db2.gz XODHQJVOHONVKZ-SFHVURJKSA-N 1 0 384.524 3.538 10 30 GHEERO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328762923 854532329 /nfs/dbraw/zinc/53/23/29/854532329.db2.gz ZPSXAASFFQWLDY-ZWKOTPCHSA-N 1 0 376.545 3.576 10 30 GHEERO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000328810117 854544234 /nfs/dbraw/zinc/54/42/34/854544234.db2.gz MGPRVGPXMLCJRM-UTKZUKDTSA-N 1 0 395.551 3.944 10 30 GHEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000328835452 854568455 /nfs/dbraw/zinc/56/84/55/854568455.db2.gz MGILOHIWMDFRRE-VAHXTSCQSA-N 1 0 376.457 3.899 10 30 GHEERO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000328629525 206234948 /nfs/dbraw/zinc/23/49/48/206234948.db2.gz OXESSNRBVXJGCK-ISKFKSNPSA-N 1 0 375.516 3.890 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000249697646 717164656 /nfs/dbraw/zinc/16/46/56/717164656.db2.gz BGYVGDHWRLENSS-SANMLTNESA-O 1 0 397.499 3.597 10 30 GHEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000329193582 834540496 /nfs/dbraw/zinc/54/04/96/834540496.db2.gz UGNYEIFVAGQPOM-ZDUSSCGKSA-N 1 0 393.413 3.608 10 30 GHEERO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000329467989 835096067 /nfs/dbraw/zinc/09/60/67/835096067.db2.gz WOVBHRVPVYVDOP-MSOLQXFVSA-N 1 0 378.561 3.774 10 30 GHEERO N#Cc1ccc(F)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000176623283 849532813 /nfs/dbraw/zinc/53/28/13/849532813.db2.gz CLBICVXYSRWFJS-SEJPIABJSA-N 1 0 392.478 3.692 10 30 GHEERO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171891737 854265235 /nfs/dbraw/zinc/26/52/35/854265235.db2.gz JDDLKYQRCJNDNF-SFHVURJKSA-N 1 0 376.460 3.971 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000328729987 854539389 /nfs/dbraw/zinc/53/93/89/854539389.db2.gz WHCZFGAIQAWBIY-PXCRPINLSA-N 1 0 398.482 3.672 10 30 GHEERO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000330187704 862646508 /nfs/dbraw/zinc/64/65/08/862646508.db2.gz TZERBXLJFHRHHD-ZDPZECHZSA-N 1 0 395.507 3.773 10 30 GHEERO C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329049198 860976452 /nfs/dbraw/zinc/97/64/52/860976452.db2.gz VYYCHENDWHGPOR-VDZJLULYSA-N 1 0 389.544 3.685 10 30 GHEERO C[C@@H]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329195127 861126459 /nfs/dbraw/zinc/12/64/59/861126459.db2.gz SGOJSMZKDAVKRZ-DOADOZAASA-N 1 0 375.561 3.618 10 30 GHEERO CC(=O)c1ccc(-n2cc[n+]([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)cc1 ZINC000160084268 863303652 /nfs/dbraw/zinc/30/36/52/863303652.db2.gz IXZYRZSQLAUMMT-HXUWFJFHSA-N 1 0 398.845 3.738 10 30 GHEERO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000104709726 885569008 /nfs/dbraw/zinc/56/90/08/885569008.db2.gz NMOZUODOXIPFNJ-UHFFFAOYSA-N 1 0 383.517 3.620 10 30 GHEERO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116568897 886366909 /nfs/dbraw/zinc/36/69/09/886366909.db2.gz WNAJKPIBVKJXMD-GCJKJVERSA-N 1 0 396.510 3.829 10 30 GHEERO C[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1n1ccnc1 ZINC000247325309 891366999 /nfs/dbraw/zinc/36/69/99/891366999.db2.gz GFMFFBFTDPYOCY-LAUBAEHRSA-N 1 0 375.476 3.517 10 30 GHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)c2c1 ZINC000333662448 902256501 /nfs/dbraw/zinc/25/65/01/902256501.db2.gz LUFTUXDFKBUWHH-WIYYLYMNSA-N 1 0 384.911 3.791 10 30 GHEERO C[C@H](C(=O)Nc1cccc(I)c1)[N+](C)(C)C1CCCC1 ZINC000029415290 717118770 /nfs/dbraw/zinc/11/87/70/717118770.db2.gz IOTZZSADLKNZQF-GFCCVEGCSA-O 1 0 387.285 3.637 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000249697645 717164518 /nfs/dbraw/zinc/16/45/18/717164518.db2.gz BGYVGDHWRLENSS-AREMUKBSSA-O 1 0 397.499 3.597 10 30 GHEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000329365340 834912738 /nfs/dbraw/zinc/91/27/38/834912738.db2.gz GKCQQYLKCDNPJA-WBVHZDCISA-N 1 0 379.435 3.798 10 30 GHEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000329608732 835372278 /nfs/dbraw/zinc/37/22/78/835372278.db2.gz BRXLOFQDCDALMX-UTKZUKDTSA-N 1 0 379.504 3.620 10 30 GHEERO Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000329624974 861812603 /nfs/dbraw/zinc/81/26/03/861812603.db2.gz VBPYBTSOKCWIHC-RTWAWAEBSA-N 1 0 393.535 3.623 10 30 GHEERO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328696956 854513491 /nfs/dbraw/zinc/51/34/91/854513491.db2.gz LCEUDSXVNYDCEX-QGZVFWFLSA-N 1 0 376.545 3.720 10 30 GHEERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c2ccc(F)cc2C1 ZINC000185349880 883439189 /nfs/dbraw/zinc/43/91/89/883439189.db2.gz IFZCFPDZABXIHW-QRQCRPRQSA-N 1 0 381.451 3.700 10 30 GHEERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329709063 835742298 /nfs/dbraw/zinc/74/22/98/835742298.db2.gz LJPXCZDKSFSBKH-NZQKXSOJSA-N 1 0 377.488 3.743 10 30 GHEERO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000328914870 842886944 /nfs/dbraw/zinc/88/69/44/842886944.db2.gz QNEAFUNCTDBHCU-LJQANCHMSA-N 1 0 387.549 3.962 10 30 GHEERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000328703252 854515578 /nfs/dbraw/zinc/51/55/78/854515578.db2.gz KALIPNYFENLGAB-BIJSTVTOSA-N 1 0 386.471 3.528 10 30 GHEERO Cc1cccc(Cl)c1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330327224 862908338 /nfs/dbraw/zinc/90/83/38/862908338.db2.gz KULISZRNUAUDLD-HNAYVOBHSA-N 1 0 389.931 3.942 10 30 GHEERO O=C(c1ccccc1)c1cc[n+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000182241404 883213483 /nfs/dbraw/zinc/21/34/83/883213483.db2.gz IFCNMVMBRXFTAM-HXUWFJFHSA-N 1 0 395.841 3.976 10 30 GHEERO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247050109 891338379 /nfs/dbraw/zinc/33/83/79/891338379.db2.gz ONHZGEVBQFTSMO-SIKLNZKXSA-N 1 0 378.520 3.690 10 30 GHEERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)C1 ZINC000329714262 862209114 /nfs/dbraw/zinc/20/91/14/862209114.db2.gz STBJBIYMNWKGKO-ABSDTBQOSA-N 1 0 386.471 3.530 10 30 GHEERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328790360 854557683 /nfs/dbraw/zinc/55/76/83/854557683.db2.gz YSUJTMXDISZLBG-FGTMMUONSA-N 1 0 376.545 3.528 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC[N@@H+]1C ZINC000329045631 860973439 /nfs/dbraw/zinc/97/34/39/860973439.db2.gz PQLJLKDOLBIJDI-NJYSJTHYSA-N 1 0 387.572 3.666 10 30 GHEERO COc1cc(/C=C/C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1OCC#N ZINC000177256108 882777836 /nfs/dbraw/zinc/77/78/36/882777836.db2.gz SPFDFNJVDLHXIZ-CSKARUKUSA-N 1 0 397.519 3.524 10 30 GHEERO CC(=O)c1ccc(-n2cc[n+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)cc1 ZINC000182242704 883213323 /nfs/dbraw/zinc/21/33/23/883213323.db2.gz AFZHTSVDXVXBLV-FQEVSTJZSA-N 1 0 398.845 3.738 10 30 GHEERO COc1ccccc1CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000104709372 885562842 /nfs/dbraw/zinc/56/28/42/885562842.db2.gz ARKLRXZSUFKNIB-KRWDZBQOSA-N 1 0 383.467 3.644 10 30 GHEERO C=CCC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC ZINC000036103744 570540279 /nfs/dbraw/zinc/54/02/79/570540279.db2.gz OUQNTQCSQNVZCP-IBGZPJMESA-N 1 0 399.487 3.762 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000329193581 834540675 /nfs/dbraw/zinc/54/06/75/834540675.db2.gz UGNYEIFVAGQPOM-CYBMUJFWSA-N 1 0 393.413 3.608 10 30 GHEERO CC(=O)N[C@H](CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)c1ccc(Cl)cc1 ZINC000329685330 835679296 /nfs/dbraw/zinc/67/92/96/835679296.db2.gz ZWUFLXHEEOGSRI-MDASCCDHSA-N 1 0 377.916 3.833 10 30 GHEERO CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000329270323 861229295 /nfs/dbraw/zinc/22/92/95/861229295.db2.gz HITKLKGMRFVQPQ-IEBWSBKVSA-N 1 0 395.551 3.651 10 30 GHEERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000329114748 848585459 /nfs/dbraw/zinc/58/54/59/848585459.db2.gz HVYNITJYPFBQLI-YVSFHVDLSA-N 1 0 377.554 3.676 10 30 GHEERO C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000328667650 854496985 /nfs/dbraw/zinc/49/69/85/854496985.db2.gz KYRXKVWLDIICPI-DOTOQJQBSA-N 1 0 390.503 3.884 10 30 GHEERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000328697973 854514208 /nfs/dbraw/zinc/51/42/08/854514208.db2.gz HJBUPQSMARADFY-FQEVSTJZSA-N 1 0 385.552 3.849 10 30 GHEERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cn3c(n2)CCCC3)CC1 ZINC000330108923 862580298 /nfs/dbraw/zinc/58/02/98/862580298.db2.gz OJZRFYRVCCYCHD-GOSISDBHSA-N 1 0 387.572 3.610 10 30 GHEERO O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CCCCN1C1CCCC1 ZINC000330287777 862724074 /nfs/dbraw/zinc/72/40/74/862724074.db2.gz CPEPQFFOSNLDRR-ZWKOTPCHSA-N 1 0 376.522 3.659 10 30 GHEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184520663 883350828 /nfs/dbraw/zinc/35/08/28/883350828.db2.gz AMDPIRLJTSJAJA-HJPURHCSSA-N 1 0 380.463 3.982 10 30 GHEERO C=CCOc1cccc(C(=O)N2CCC[C@H]([N@H+](CC)Cc3ccncc3)C2)c1 ZINC000012192771 206245889 /nfs/dbraw/zinc/24/58/89/206245889.db2.gz XIHBAYAQRJUHNH-NRFANRHFSA-N 1 0 379.504 3.773 10 30 GHEERO C=CCC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1 ZINC000036095890 570535354 /nfs/dbraw/zinc/53/53/54/570535354.db2.gz XUIOHAAKDSHHNA-LJQANCHMSA-N 1 0 399.487 3.762 10 30 GHEERO CC(C)[C@@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000029414861 717118917 /nfs/dbraw/zinc/11/89/17/717118917.db2.gz QAAVJUZBXSKLLK-JOCHJYFZSA-O 1 0 375.533 3.680 10 30 GHEERO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329738238 835822215 /nfs/dbraw/zinc/82/22/15/835822215.db2.gz MRNQWSLILLYXQR-PRTQVNTJSA-N 1 0 384.520 3.583 10 30 GHEERO C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329262286 861217534 /nfs/dbraw/zinc/21/75/34/861217534.db2.gz BDFWENLLXHMWDY-DOADOZAASA-N 1 0 389.588 3.864 10 30 GHEERO O=C(Nc1sccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000329269059 861222000 /nfs/dbraw/zinc/22/20/00/861222000.db2.gz GSFNLLHOOHDCNW-ZDUSSCGKSA-N 1 0 389.908 3.958 10 30 GHEERO Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000329624975 861813122 /nfs/dbraw/zinc/81/31/22/861813122.db2.gz VBPYBTSOKCWIHC-SFTDATJTSA-N 1 0 393.535 3.623 10 30 GHEERO N#Cc1cnc2c(Br)cccc2c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333897205 852822734 /nfs/dbraw/zinc/82/27/34/852822734.db2.gz IDGPFYBRTIODAQ-CQSZACIVSA-N 1 0 385.309 3.695 10 30 GHEERO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000056757778 888377247 /nfs/dbraw/zinc/37/72/47/888377247.db2.gz ILIJEGILQAILGV-UHFFFAOYSA-N 1 0 396.535 3.593 10 30 GHEERO N#CCCn1cc(C[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c(-c2ccccc2)n1 ZINC000194815537 888624293 /nfs/dbraw/zinc/62/42/93/888624293.db2.gz ZLDUKRPYQNBNCP-HXUWFJFHSA-N 1 0 385.471 3.679 10 30 GHEERO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247082099 891343887 /nfs/dbraw/zinc/34/38/87/891343887.db2.gz QMPWZOWBYAPEBW-RTBURBONSA-N 1 0 383.517 3.583 10 30 GHEERO Cc1cccc(C)c1NC(=O)C[N+](C)(C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000002038040 717094506 /nfs/dbraw/zinc/09/45/06/717094506.db2.gz CDUXEPFCRIVUQS-IBGZPJMESA-O 1 0 382.528 3.962 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)NCc1cccs1 ZINC000249698487 717164844 /nfs/dbraw/zinc/16/48/44/717164844.db2.gz CRXRVERTWNFBPS-HSZRJFAPSA-O 1 0 386.497 3.632 10 30 GHEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000329806432 834561032 /nfs/dbraw/zinc/56/10/32/834561032.db2.gz 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C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000116491600 886363867 /nfs/dbraw/zinc/36/38/67/886363867.db2.gz FURYKSYRQRDHNU-UTKZUKDTSA-N 1 0 380.492 3.679 10 30 GHEERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N ZINC000187931047 835186826 /nfs/dbraw/zinc/18/68/26/835186826.db2.gz QFFSANMAMHQZOS-NLFFAJNJSA-N 1 0 399.542 3.803 10 30 GHEERO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000329691410 835700210 /nfs/dbraw/zinc/70/02/10/835700210.db2.gz GQQATYFXUQFTEQ-WPFOTENUSA-N 1 0 399.579 3.830 10 30 GHEERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329710549 835745968 /nfs/dbraw/zinc/74/59/68/835745968.db2.gz MICJKWIXDVSKTG-NZQKXSOJSA-N 1 0 377.488 3.743 10 30 GHEERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328730480 839549518 /nfs/dbraw/zinc/54/95/18/839549518.db2.gz HZYLDAWLUSAHRS-ZFGGDYGUSA-N 1 0 399.579 3.828 10 30 GHEERO Cn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000329879513 862392773 /nfs/dbraw/zinc/39/27/73/862392773.db2.gz MIWMKUYXWPNGBG-TWKWOARYSA-N 1 0 388.537 3.599 10 30 GHEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000328749352 854527116 /nfs/dbraw/zinc/52/71/16/854527116.db2.gz QTVGHCKXRDDICZ-ATNRFADISA-N 1 0 379.545 3.697 10 30 GHEERO CC(=O)c1ccc(-n2cc[n+]([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)cc1 ZINC000160084392 863301472 /nfs/dbraw/zinc/30/14/72/863301472.db2.gz IXZYRZSQLAUMMT-FQEVSTJZSA-N 1 0 398.845 3.738 10 30 GHEERO N#CCSc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000176026051 882658501 /nfs/dbraw/zinc/65/85/01/882658501.db2.gz GGBBVVWFZQIYLT-UHFFFAOYSA-N 1 0 383.492 3.836 10 30 GHEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000246786377 891307120 /nfs/dbraw/zinc/30/71/20/891307120.db2.gz MBVOIUKSGGIYIX-QIJUGHKUSA-N 1 0 391.519 3.636 10 30 GHEERO N#Cc1cnc2c(Br)cccc2c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333814324 902344291 /nfs/dbraw/zinc/34/42/91/902344291.db2.gz GEYHQFZSSZFJLU-KBPBESRZSA-N 1 0 385.309 3.695 10 30 GHEERO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000329598326 861735080 /nfs/dbraw/zinc/73/50/80/861735080.db2.gz PPCQWFVWOGSGJT-CEWLAPEOSA-N 1 0 395.551 3.832 10 30 GHEERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)C1 ZINC000329714263 862208750 /nfs/dbraw/zinc/20/87/50/862208750.db2.gz STBJBIYMNWKGKO-FUHIMQAGSA-N 1 0 386.471 3.530 10 30 GHEERO O=C(Nc1ccc(N2CCCCC2)c2ncccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329914648 862418666 /nfs/dbraw/zinc/41/86/66/862418666.db2.gz PETZVPWNAMNPQJ-KRWDZBQOSA-N 1 0 379.508 3.551 10 30 GHEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)N[C@H]2CCc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000330339410 862988914 /nfs/dbraw/zinc/98/89/14/862988914.db2.gz WPSGAUSSPWKRIJ-YUXAGFNASA-N 1 0 395.551 3.726 10 30 GHEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000116483720 873515022 /nfs/dbraw/zinc/51/50/22/873515022.db2.gz OWPLXCBVIXPZHG-UWJYYQICSA-N 1 0 391.519 3.915 10 30 GHEERO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247570190 891388633 /nfs/dbraw/zinc/38/86/33/891388633.db2.gz WNAJKPIBVKJXMD-XMSQKQJNSA-N 1 0 396.510 3.829 10 30 GHEERO N#Cc1cnc2c(Br)cccc2c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333569435 902195486 /nfs/dbraw/zinc/19/54/86/902195486.db2.gz RSKURXLRRGMEMF-KRWDZBQOSA-N 1 0 385.309 3.837 10 30 GHEERO C=C(C)CC[C@@H](C)[NH+]1CCC2(CC1)[C@@H](C(=O)OC)CC(=O)N2OCCC(C)C ZINC000072152349 518589667 /nfs/dbraw/zinc/58/96/67/518589667.db2.gz FFAMSYKWWABGJZ-RTBURBONSA-N 1 0 394.556 3.565 10 30 GHEERO CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000329468610 835097847 /nfs/dbraw/zinc/09/78/47/835097847.db2.gz XKQWUFJVABPRBL-OAQYLSRUSA-N 1 0 386.540 3.917 10 30 GHEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000247020083 836570792 /nfs/dbraw/zinc/57/07/92/836570792.db2.gz XXHNFLGQCGQHIZ-JJXUHFIVSA-N 1 0 381.451 3.612 10 30 GHEERO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000329009898 844358858 /nfs/dbraw/zinc/35/88/58/844358858.db2.gz HSLKMUAJADWUKA-JOCBIADPSA-N 1 0 388.537 3.599 10 30 GHEERO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)sc2C1 ZINC000329377130 861349137 /nfs/dbraw/zinc/34/91/37/861349137.db2.gz LWKPKADPOJUWJO-OWCLPIDISA-N 1 0 386.565 3.891 10 30 GHEERO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000329437009 861423300 /nfs/dbraw/zinc/42/33/00/861423300.db2.gz JYBFZMNQCWCXKH-KRWDZBQOSA-N 1 0 382.464 3.516 10 30 GHEERO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000329109904 861025839 /nfs/dbraw/zinc/02/58/39/861025839.db2.gz GDZSXXROLMPEKM-UYAOXDASSA-N 1 0 388.556 3.891 10 30 GHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)c2c1 ZINC000333662445 902255453 /nfs/dbraw/zinc/25/54/53/902255453.db2.gz LUFTUXDFKBUWHH-GHTZIAJQSA-N 1 0 384.911 3.791 10 30 GHEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000329676179 835653270 /nfs/dbraw/zinc/65/32/70/835653270.db2.gz VZWWPOLCCKESHZ-CABCVRRESA-N 1 0 393.915 3.648 10 30 GHEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247020110 836570752 /nfs/dbraw/zinc/57/07/52/836570752.db2.gz XXHNFLGQCGQHIZ-MFMILTCTSA-N 1 0 381.451 3.612 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC3(CCC3)c3ccccc32)CCC[N@@H+]1C ZINC000329490539 861535740 /nfs/dbraw/zinc/53/57/40/861535740.db2.gz HXXJKRCMDZDMDX-LAUBAEHRSA-N 1 0 393.535 3.659 10 30 GHEERO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]1c1cccs1 ZINC000329513981 861571369 /nfs/dbraw/zinc/57/13/69/861571369.db2.gz CSDVEDDVWCAUOP-AOIWGVFYSA-N 1 0 391.581 3.813 10 30 GHEERO Cc1ccc2ncc(C#N)c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)c2c1 ZINC000330123668 860479029 /nfs/dbraw/zinc/47/90/29/860479029.db2.gz ATNDCXBQMTVTDA-HTAPYJJXSA-N 1 0 388.519 3.668 10 30 GHEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000329182376 861113911 /nfs/dbraw/zinc/11/39/11/861113911.db2.gz OZMFUHYSPZRGAN-HKUYNNGSSA-N 1 0 387.499 3.651 10 30 GHEERO COc1ccccc1CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000102410484 882733233 /nfs/dbraw/zinc/73/32/33/882733233.db2.gz BMLYZSFYHMMYFO-UHFFFAOYSA-N 1 0 377.488 3.850 10 30 GHEERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000069254392 879933569 /nfs/dbraw/zinc/93/35/69/879933569.db2.gz CVBUKINOKUTISI-GASCZTMLSA-N 1 0 390.915 3.565 10 30 GHEERO COc1ccc(C[NH2+]CC[C@H]2c3ccccc3NC2=O)cc1OCCCC#N ZINC000194938141 888632337 /nfs/dbraw/zinc/63/23/37/888632337.db2.gz KIQUTRRDVYFGML-SFHVURJKSA-N 1 0 379.460 3.593 10 30 GHEERO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333710327 902284007 /nfs/dbraw/zinc/28/40/07/902284007.db2.gz SFFXRXRMDSNSOA-OXQOHEQNSA-N 1 0 388.874 3.622 10 30 GHEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329659207 835552690 /nfs/dbraw/zinc/55/26/90/835552690.db2.gz NZJCZBOARWNYLO-CGVQKBNFSA-N 1 0 387.568 3.635 10 30 GHEERO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000329627343 861817159 /nfs/dbraw/zinc/81/71/59/861817159.db2.gz GYFONYJTDVQIOW-UTKZUKDTSA-N 1 0 395.551 3.504 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000329823954 862348537 /nfs/dbraw/zinc/34/85/37/862348537.db2.gz QMVSJWQGMAQGLH-JKSUJKDBSA-N 1 0 399.564 3.881 10 30 GHEERO Cc1ccc(C(=O)C[n+]2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000004831584 856641441 /nfs/dbraw/zinc/64/14/41/856641441.db2.gz DIEMOFYBLGEENS-UHFFFAOYSA-O 1 0 376.392 3.710 10 30 GHEERO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCc4cncnc4C3)sc2C1 ZINC000329168609 861093867 /nfs/dbraw/zinc/09/38/67/861093867.db2.gz JEBPNJSRBXZFNT-ZDUSSCGKSA-N 1 0 381.505 3.571 10 30 GHEERO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184520642 883350549 /nfs/dbraw/zinc/35/05/49/883350549.db2.gz AMDPIRLJTSJAJA-WAIKUNEKSA-N 1 0 380.463 3.982 10 30 GHEERO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1OC ZINC000185362215 883441005 /nfs/dbraw/zinc/44/10/05/883441005.db2.gz DUPITEVZTBPERJ-NRFANRHFSA-N 1 0 398.478 3.982 10 30 GHEERO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116568899 886367416 /nfs/dbraw/zinc/36/74/16/886367416.db2.gz WNAJKPIBVKJXMD-AVRDEDQJSA-N 1 0 396.510 3.829 10 30 GHEERO Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)C2)c1 ZINC000329366765 834927941 /nfs/dbraw/zinc/92/79/41/834927941.db2.gz KPPCLRFKQLGAOA-HMXCVIKNSA-N 1 0 381.524 3.578 10 30 GHEERO Cc1cnn([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)c1 ZINC000106224885 840805596 /nfs/dbraw/zinc/80/55/96/840805596.db2.gz MWDPQMUHZYVPRP-MRXNPFEDSA-N 1 0 397.548 3.669 10 30 GHEERO C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329262284 861218303 /nfs/dbraw/zinc/21/83/03/861218303.db2.gz BDFWENLLXHMWDY-AJYBTWMASA-N 1 0 389.588 3.864 10 30 GHEERO O=C(CC1(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCCC1)Nc1nccs1 ZINC000329340475 861304812 /nfs/dbraw/zinc/30/48/12/861304812.db2.gz ZKNLRFIEBOXXKW-INIZCTEOSA-N 1 0 390.553 3.768 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN1c1ncnc2sccc21 ZINC000329135920 861056113 /nfs/dbraw/zinc/05/61/13/861056113.db2.gz CLFNANZFCSQGEG-RHSMWYFYSA-N 1 0 385.537 3.634 10 30 GHEERO CCCCn1cc[n+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000182700693 883232225 /nfs/dbraw/zinc/23/22/25/883232225.db2.gz OSTSNPMCWUXSCZ-GOSISDBHSA-N 1 0 380.434 3.958 10 30 GHEERO CCn1cc(C2CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)cn1 ZINC000329441585 835045898 /nfs/dbraw/zinc/04/58/98/835045898.db2.gz NCKZWNWSFKSXTM-UHFFFAOYSA-N 1 0 375.561 3.651 10 30 GHEERO C[C@@H]1C[N@@H+](CC2CCN(C([O-])=[NH+]c3nc4ccsc4s3)CC2)C[C@H](C)O1 ZINC000329547385 835221959 /nfs/dbraw/zinc/22/19/59/835221959.db2.gz IJPOLRYQFBZRGN-BETUJISGSA-N 1 0 394.566 3.725 10 30 GHEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000329618732 835432636 /nfs/dbraw/zinc/43/26/36/835432636.db2.gz QPGWKLNAIWLSMN-YJBOKZPZSA-N 1 0 375.900 3.666 10 30 GHEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000328835449 854568722 /nfs/dbraw/zinc/56/87/22/854568722.db2.gz MGILOHIWMDFRRE-LQBHMHGISA-N 1 0 376.457 3.899 10 30 GHEERO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000328921556 854623021 /nfs/dbraw/zinc/62/30/21/854623021.db2.gz CFSOBVUECODJEI-WIYYLYMNSA-N 1 0 397.523 3.952 10 30 GHEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000330358935 863066222 /nfs/dbraw/zinc/06/62/22/863066222.db2.gz VNJBENSBBYQMFI-ZAWLATJESA-N 1 0 376.545 3.694 10 30 GHEERO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000106035271 884935801 /nfs/dbraw/zinc/93/58/01/884935801.db2.gz HHFOVCGCPCNVNW-UHFFFAOYSA-N 1 0 379.342 3.883 10 30 GHEERO CC(=O)N[C@H](C)C1CCN(C(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000328601307 836502578 /nfs/dbraw/zinc/50/25/78/836502578.db2.gz FGGAYYNKRMVDEE-XANCMCCPSA-N 1 0 397.563 3.892 10 30 GHEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000328654337 854491478 /nfs/dbraw/zinc/49/14/78/854491478.db2.gz LRWUVSXDKHMKRZ-CTNGQTDRSA-N 1 0 395.551 3.579 10 30 GHEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[N@@H+](Cc3ccccc3)C[C@@H]1C)CCC2 ZINC000328654338 854491613 /nfs/dbraw/zinc/49/16/13/854491613.db2.gz LRWUVSXDKHMKRZ-FPOVZHCZSA-N 1 0 395.551 3.579 10 30 GHEERO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(-c2ccc(C#N)cc2)n1 ZINC000245976122 857209057 /nfs/dbraw/zinc/20/90/57/857209057.db2.gz OSOAXQBQJMHAPP-VQTJNVASSA-N 1 0 376.460 3.640 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)NC1CCC(C)(C)CC1 ZINC000329061533 860985388 /nfs/dbraw/zinc/98/53/88/860985388.db2.gz NQYLYUDSLVNDED-QFBILLFUSA-N 1 0 375.561 3.618 10 30 GHEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)N[C@H]3CCOc4ccccc43)CC2)c1 ZINC000329185284 861114067 /nfs/dbraw/zinc/11/40/67/861114067.db2.gz QCCYUVTXDKYIRE-XLIONFOSSA-N 1 0 382.508 3.772 10 30 GHEERO C=CCc1cc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc(OC)c1O ZINC000185363520 883441430 /nfs/dbraw/zinc/44/14/30/883441430.db2.gz MOSUUSHEKZTKBE-OAQYLSRUSA-N 1 0 398.478 3.852 10 30 GHEERO N#CCCn1cc(C[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c(-c2ccccc2)n1 ZINC000194815549 888624452 /nfs/dbraw/zinc/62/44/52/888624452.db2.gz ZLDUKRPYQNBNCP-FQEVSTJZSA-N 1 0 385.471 3.679 10 30 GHEERO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000191949856 891727082 /nfs/dbraw/zinc/72/70/82/891727082.db2.gz PJBVGXGVHADAIP-UHFFFAOYSA-N 1 0 389.908 3.501 10 30 GHEERO O=C(CCNC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000329406703 834978336 /nfs/dbraw/zinc/97/83/36/834978336.db2.gz CBBOXZBITVAAIW-OFNKIYASSA-N 1 0 383.536 3.648 10 30 GHEERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1 ZINC000328700839 838722861 /nfs/dbraw/zinc/72/28/61/838722861.db2.gz MYJDHLHYMCWOFR-CVEARBPZSA-N 1 0 377.554 3.820 10 30 GHEERO O=C(Nc1sccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000329269046 861221465 /nfs/dbraw/zinc/22/14/65/861221465.db2.gz GSFNLLHOOHDCNW-CYBMUJFWSA-N 1 0 389.908 3.958 10 30 GHEERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 ZINC000329915359 862420205 /nfs/dbraw/zinc/42/02/05/862420205.db2.gz YGDXDGROMUEGDA-ORYQWCPZSA-N 1 0 382.508 3.680 10 30 GHEERO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185354447 883439362 /nfs/dbraw/zinc/43/93/62/883439362.db2.gz NCKHFTILJJTYFX-HSZRJFAPSA-N 1 0 380.463 3.811 10 30 GHEERO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116491602 886363305 /nfs/dbraw/zinc/36/33/05/886363305.db2.gz FURYKSYRQRDHNU-UWJYYQICSA-N 1 0 380.492 3.679 10 30 GHEERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000329597370 861733509 /nfs/dbraw/zinc/73/35/09/861733509.db2.gz WAHDUIODGKDZPP-QRQLOZEOSA-N 1 0 392.927 3.931 10 30 GHEERO CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329604850 861753263 /nfs/dbraw/zinc/75/32/63/861753263.db2.gz HCCYODVNSRBLAU-MVCQKVDPSA-N 1 0 378.561 3.630 10 30 GHEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000248234750 849555834 /nfs/dbraw/zinc/55/58/34/849555834.db2.gz SCNNDRKPXCGYBQ-QUCCMNQESA-N 1 0 392.434 3.660 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000328729985 854539915 /nfs/dbraw/zinc/53/99/15/854539915.db2.gz WHCZFGAIQAWBIY-JTJHWIPRSA-N 1 0 398.482 3.672 10 30 GHEERO O=C(c1ccccc1)c1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000160079230 863301134 /nfs/dbraw/zinc/30/11/34/863301134.db2.gz YVKIORTZOZNEER-OAQYLSRUSA-N 1 0 375.423 3.712 10 30 GHEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)CC1 ZINC000172264972 882192409 /nfs/dbraw/zinc/19/24/09/882192409.db2.gz UERMIXCLDKRPEU-LJQANCHMSA-N 1 0 393.535 3.616 10 30 GHEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000116483718 873515044 /nfs/dbraw/zinc/51/50/44/873515044.db2.gz OWPLXCBVIXPZHG-UTKZUKDTSA-N 1 0 391.519 3.915 10 30 GHEERO C[C@H](C(=O)Nc1ccccc1I)[N+](C)(C)C1CCCC1 ZINC000029415224 717118913 /nfs/dbraw/zinc/11/89/13/717118913.db2.gz SOADSVWOBYPPIE-GFCCVEGCSA-O 1 0 387.285 3.637 10 30 GHEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000113222441 836855603 /nfs/dbraw/zinc/85/56/03/836855603.db2.gz GKCQQYLKCDNPJA-DOTOQJQBSA-N 1 0 379.435 3.798 10 30 GHEERO CCc1ccc(NC(=O)c2nnc(CN3C[C@H]4CCCC[N@@H+]4C[C@H]3C)s2)cc1 ZINC000329667981 861977365 /nfs/dbraw/zinc/97/73/65/861977365.db2.gz RUTFDPMDNMCVIE-CRAIPNDOSA-N 1 0 399.564 3.795 10 30 GHEERO O=C(c1ccccc1)c1cc[n+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000160079636 863300758 /nfs/dbraw/zinc/30/07/58/863300758.db2.gz PUPWZRZCRGVJOY-FQEVSTJZSA-N 1 0 395.841 3.976 10 30 GHEERO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4cc[nH]n4)CC3)sc2C1 ZINC000103473456 885023946 /nfs/dbraw/zinc/02/39/46/885023946.db2.gz DTEDAEVHWLFBRV-AWEZNQCLSA-N 1 0 397.548 3.676 10 30 GHEERO Cc1ccc2c(ncc(C#N)c2N2CCC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC000333511627 902148230 /nfs/dbraw/zinc/14/82/30/902148230.db2.gz JFERKNTZEHYOTI-IBGZPJMESA-N 1 0 385.309 3.757 10 30 GHEERO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333710328 902284502 /nfs/dbraw/zinc/28/45/02/902284502.db2.gz SFFXRXRMDSNSOA-UZLBHIALSA-N 1 0 388.874 3.622 10 30 GHEERO C#CCOC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000004376391 518312019 /nfs/dbraw/zinc/31/20/19/518312019.db2.gz VOAIJUOHWAQWAD-XMMPIXPASA-N 1 0 394.559 3.809 10 30 GHEERO COc1c2c(cc3c1[C@H](CC(=O)/C=C\c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000033776558 717121936 /nfs/dbraw/zinc/12/19/36/717121936.db2.gz XMLKRVFIXBNAEE-VJIACCKLSA-N 1 0 380.464 3.770 10 30 GHEERO CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000329270324 861229144 /nfs/dbraw/zinc/22/91/44/861229144.db2.gz HITKLKGMRFVQPQ-PKOBYXMFSA-N 1 0 395.551 3.651 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000329135919 861055593 /nfs/dbraw/zinc/05/55/93/861055593.db2.gz CLFNANZFCSQGEG-PBHICJAKSA-N 1 0 385.537 3.634 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000329182378 861113937 /nfs/dbraw/zinc/11/39/37/861113937.db2.gz OZMFUHYSPZRGAN-PKOBYXMFSA-N 1 0 387.499 3.651 10 30 GHEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329205837 861138752 /nfs/dbraw/zinc/13/87/52/861138752.db2.gz ZJQJBHCQHLOTIR-WEWRAIFCSA-N 1 0 385.556 3.532 10 30 GHEERO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1OC ZINC000185362234 883441066 /nfs/dbraw/zinc/44/10/66/883441066.db2.gz DUPITEVZTBPERJ-OAQYLSRUSA-N 1 0 398.478 3.982 10 30 GHEERO CC(=O)c1ccc(-n2cc[n+]([C@@H]3CCN(c4c(C)cc(C)cc4C)C3=O)c2)cc1 ZINC000188685468 883869597 /nfs/dbraw/zinc/86/95/97/883869597.db2.gz FRUJMYSAPPURBM-JOCHJYFZSA-N 1 0 388.491 3.871 10 30 GHEERO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000116569177 886367029 /nfs/dbraw/zinc/36/70/29/886367029.db2.gz MHIOALZPXBONOD-OFNKIYASSA-N 1 0 392.547 3.732 10 30 GHEERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C2)CC1 ZINC000132044916 887601332 /nfs/dbraw/zinc/60/13/32/887601332.db2.gz XHUIVHWBABVRGD-JLXBBBJOSA-N 1 0 381.520 3.573 10 30 GHEERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328916335 854621317 /nfs/dbraw/zinc/62/13/17/854621317.db2.gz AJQCTJVIIXEAFR-YWTNHNAXSA-N 1 0 376.545 3.601 10 30 GHEERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000246786517 857461953 /nfs/dbraw/zinc/46/19/53/857461953.db2.gz AAQRWKAYLNZCIF-AUUYWEPGSA-N 1 0 383.883 3.639 10 30 GHEERO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000116067318 873264133 /nfs/dbraw/zinc/26/41/33/873264133.db2.gz CPMFDMZXCXYLDH-DLENHJPASA-N 1 0 389.499 3.944 10 30 GHEERO COc1ccccc1CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000102410605 882729694 /nfs/dbraw/zinc/72/96/94/882729694.db2.gz FZZITNWXARVMSP-UHFFFAOYSA-N 1 0 383.517 3.912 10 30 GHEERO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121033882 876454602 /nfs/dbraw/zinc/45/46/02/876454602.db2.gz QMZGHENJKHTJOU-UHFFFAOYSA-N 1 0 383.536 3.984 10 30 GHEERO N#CCCn1cc(C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000246940423 891324499 /nfs/dbraw/zinc/32/44/99/891324499.db2.gz UCVNPBWZRDGGGI-PGRDOPGGSA-N 1 0 390.531 3.686 10 30 GHEERO Cc1cc2c(cc1C)[N@@+](CC(=O)NC1CCOCC1)(Cc1ccc(F)cc1)C=N2 ZINC000246137296 717164174 /nfs/dbraw/zinc/16/41/74/717164174.db2.gz QMCRFUGJOPGYBE-HHHXNRCGSA-O 1 0 396.486 3.919 10 30 GHEERO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cnc(-c2ccsc2)s1 ZINC000329247341 834620635 /nfs/dbraw/zinc/62/06/35/834620635.db2.gz RRGCIYDOXJZRFD-UHFFFAOYSA-N 1 0 377.535 3.821 10 30 GHEERO Cc1nc2ccc(NC(=O)[C@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)cn2n1 ZINC000329000933 844114569 /nfs/dbraw/zinc/11/45/69/844114569.db2.gz LCAUNXJVEZWHJG-GCJKJVERSA-N 1 0 375.476 3.928 10 30 GHEERO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)s2)CC1 ZINC000134848140 836078710 /nfs/dbraw/zinc/07/87/10/836078710.db2.gz RHIPPUSWOGSYSL-OAHLLOKOSA-N 1 0 383.517 3.513 10 30 GHEERO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000189583843 838280707 /nfs/dbraw/zinc/28/07/07/838280707.db2.gz ZOPAFRNNPGZLLT-UHFFFAOYSA-N 1 0 396.498 3.830 10 30 GHEERO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000189829830 838417105 /nfs/dbraw/zinc/41/71/05/838417105.db2.gz MDHHMSPJJWXRKZ-HSZRJFAPSA-N 1 0 379.504 3.568 10 30 GHEERO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)[C@@H](c2ccccc2)C1 ZINC000329016524 860950474 /nfs/dbraw/zinc/95/04/74/860950474.db2.gz KHHAKTDQRBZGSI-UNEWFSDZSA-N 1 0 392.425 3.588 10 30 GHEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000330358934 863066826 /nfs/dbraw/zinc/06/68/26/863066826.db2.gz VNJBENSBBYQMFI-OGWHTMIXSA-N 1 0 376.545 3.694 10 30 GHEERO C=CCC[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000091868132 882192537 /nfs/dbraw/zinc/19/25/37/882192537.db2.gz XCTJDWRMJLKTSJ-FCHUYYIVSA-N 1 0 384.568 3.505 10 30 GHEERO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000069254393 879933051 /nfs/dbraw/zinc/93/30/51/879933051.db2.gz CVBUKINOKUTISI-GJZGRUSLSA-N 1 0 390.915 3.565 10 30 GHEERO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000066533870 891124375 /nfs/dbraw/zinc/12/43/75/891124375.db2.gz SQGMMVQOMFTJSQ-QGZVFWFLSA-N 1 0 386.565 3.580 10 30 GHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c2c1 ZINC000333662447 902255976 /nfs/dbraw/zinc/25/59/76/902255976.db2.gz LUFTUXDFKBUWHH-RXVVDRJESA-N 1 0 384.911 3.791 10 30 GHEERO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000588577747 834566364 /nfs/dbraw/zinc/56/63/64/834566364.db2.gz IVPRROFCHLGWSV-DEYGKZMTSA-N 1 0 383.467 3.598 10 30 GHEERO C[C@H]1C[NH+](CC2CCN(C([O-])=[NH+]c3nc4ccsc4s3)CC2)C[C@H](C)O1 ZINC000329547389 835221783 /nfs/dbraw/zinc/22/17/83/835221783.db2.gz IJPOLRYQFBZRGN-STQMWFEESA-N 1 0 394.566 3.725 10 30 GHEERO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000328914869 842886202 /nfs/dbraw/zinc/88/62/02/842886202.db2.gz QNEAFUNCTDBHCU-IBGZPJMESA-N 1 0 387.549 3.962 10 30 GHEERO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CCc3ccccc32)CC1 ZINC000329028426 845645404 /nfs/dbraw/zinc/64/54/04/845645404.db2.gz AELCRLGVPJULTQ-IBGZPJMESA-N 1 0 377.488 3.782 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000329823953 862348504 /nfs/dbraw/zinc/34/85/04/862348504.db2.gz QMVSJWQGMAQGLH-HZPDHXFCSA-N 1 0 399.564 3.881 10 30 GHEERO Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)[nH]n1 ZINC000328744067 854525197 /nfs/dbraw/zinc/52/51/97/854525197.db2.gz ORIBHZQLZVYCFC-RTWAWAEBSA-N 1 0 395.551 3.866 10 30 GHEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000328749353 854526831 /nfs/dbraw/zinc/52/68/31/854526831.db2.gz QTVGHCKXRDDICZ-QKDSSNGWSA-N 1 0 379.545 3.697 10 30 GHEERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)c2ccc(F)cc2C1 ZINC000184514982 883351694 /nfs/dbraw/zinc/35/16/94/883351694.db2.gz LEEXLLGOGTWKIU-NYHFZMIOSA-N 1 0 381.451 3.872 10 30 GHEERO COc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1OCCCC#N ZINC000189958825 884027983 /nfs/dbraw/zinc/02/79/83/884027983.db2.gz UNULIJQCCGGSID-UHFFFAOYSA-N 1 0 386.521 3.911 10 30 GHEERO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1OC ZINC000121040739 886538081 /nfs/dbraw/zinc/53/80/81/886538081.db2.gz OHJWGFGTEVAXAZ-UHFFFAOYSA-N 1 0 386.536 3.875 10 30 GHEERO C=C(C)CC[C@H](C)[NH+]1CCC2(CC1)[C@H](C(=O)OC)CC(=O)N2OCCC(C)C ZINC000072152348 518589609 /nfs/dbraw/zinc/58/96/09/518589609.db2.gz FFAMSYKWWABGJZ-OALUTQOASA-N 1 0 394.556 3.565 10 30 GHEERO Cc1ccc(S(=O)(=O)OC[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000097975689 525623274 /nfs/dbraw/zinc/62/32/74/525623274.db2.gz LYVSPZZHZZMALL-YLJYHZDGSA-N 1 0 377.481 3.575 10 30 GHEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000330092182 862569750 /nfs/dbraw/zinc/56/97/50/862569750.db2.gz YLCSGWMHUOHLHA-OHDICMOHSA-N 1 0 388.537 3.599 10 30 GHEERO C[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000328774673 854536180 /nfs/dbraw/zinc/53/61/80/854536180.db2.gz KKDLQMURYJXDBJ-JKSUJKDBSA-N 1 0 390.503 3.742 10 30 GHEERO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000328942988 854610996 /nfs/dbraw/zinc/61/09/96/854610996.db2.gz LLSYHTJPFKEUIX-BRSBDYLESA-N 1 0 376.545 3.694 10 30 GHEERO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329142305 861062892 /nfs/dbraw/zinc/06/28/92/861062892.db2.gz UWIRLBUOCFLTNA-QFCZJPRCSA-N 1 0 389.588 3.659 10 30 GHEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184520630 883351839 /nfs/dbraw/zinc/35/18/39/883351839.db2.gz AMDPIRLJTSJAJA-QMHKHESXSA-N 1 0 380.463 3.982 10 30 GHEERO Cc1cc(C)nc(-n2cc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)c(C(C)C)n2)n1 ZINC000329821497 834645410 /nfs/dbraw/zinc/64/54/10/834645410.db2.gz PUYXBDOWAYZEJR-QGZVFWFLSA-N 1 0 396.539 3.724 10 30 GHEERO Cc1cc(C)nc(-n2cc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)c(C(C)C)n2)n1 ZINC000329821492 834645570 /nfs/dbraw/zinc/64/55/70/834645570.db2.gz PUYXBDOWAYZEJR-KRWDZBQOSA-N 1 0 396.539 3.724 10 30 GHEERO Cn1cncc1[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CCO1 ZINC000330330829 843689793 /nfs/dbraw/zinc/68/97/93/843689793.db2.gz NPFHBLPDXUYXMO-NHIYQJMISA-N 1 0 388.434 3.513 10 30 GHEERO CC(C)[C@H](C(=O)NC1CCC(C(=O)N2CCSCC2)CC1)[NH+]1CCCCC1 ZINC000329085749 847772249 /nfs/dbraw/zinc/77/22/49/847772249.db2.gz GMGAHAUOBKKTOU-CTWPCTMYSA-N 1 0 395.613 3.588 10 30 GHEERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000328663056 854495108 /nfs/dbraw/zinc/49/51/08/854495108.db2.gz AWLFYPJIGSGPLN-YSHGAJCASA-N 1 0 388.508 3.697 10 30 GHEERO CN(C(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328711395 854518680 /nfs/dbraw/zinc/51/86/80/854518680.db2.gz BYAGVFZBSBPRRH-RBUKOAKNSA-N 1 0 384.524 3.538 10 30 GHEERO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000328810115 854544124 /nfs/dbraw/zinc/54/41/24/854544124.db2.gz MGPRVGPXMLCJRM-LAUBAEHRSA-N 1 0 395.551 3.944 10 30 GHEERO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cccs1 ZINC000330320409 862901267 /nfs/dbraw/zinc/90/12/67/862901267.db2.gz FBMOQBVPSMZPHS-KVSKMBFKSA-N 1 0 389.569 3.862 10 30 GHEERO O=C(c1ccccc1)c1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000160079356 863301380 /nfs/dbraw/zinc/30/13/80/863301380.db2.gz YVKIORTZOZNEER-NRFANRHFSA-N 1 0 375.423 3.712 10 30 GHEERO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4cc[nH]n4)CC3)sc2C1 ZINC000103473454 885023695 /nfs/dbraw/zinc/02/36/95/885023695.db2.gz DTEDAEVHWLFBRV-CQSZACIVSA-N 1 0 397.548 3.676 10 30 GHEERO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000104709376 885563090 /nfs/dbraw/zinc/56/30/90/885563090.db2.gz ARKLRXZSUFKNIB-QGZVFWFLSA-N 1 0 383.467 3.644 10 30 GHEERO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247570181 891387231 /nfs/dbraw/zinc/38/72/31/891387231.db2.gz WNAJKPIBVKJXMD-PGRDOPGGSA-N 1 0 396.510 3.829 10 30 GHEERO C[C@@H](C(=O)Nc1cccc(I)c1)[N+](C)(C)C1CCCC1 ZINC000029415288 717118931 /nfs/dbraw/zinc/11/89/31/717118931.db2.gz IOTZZSADLKNZQF-LBPRGKRZSA-O 1 0 387.285 3.637 10 30 GHEERO Cc1cccc(N2CCC([NH2+]Cc3cccn3Cc3ccccc3C#N)CC2)n1 ZINC000187932155 835238066 /nfs/dbraw/zinc/23/80/66/835238066.db2.gz DSSAMRLJXFSMAW-UHFFFAOYSA-N 1 0 385.515 3.870 10 30 GHEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247020138 836570564 /nfs/dbraw/zinc/57/05/64/836570564.db2.gz XXHNFLGQCGQHIZ-QFIXIFRTSA-N 1 0 381.451 3.612 10 30 GHEERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@H]1c1cccs1 ZINC000328731159 854539436 /nfs/dbraw/zinc/53/94/36/854539436.db2.gz GKGNCGMVGJRWQU-KYJSFNMBSA-N 1 0 390.553 3.676 10 30 GHEERO Cc1ccccc1[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330282254 862721379 /nfs/dbraw/zinc/72/13/79/862721379.db2.gz AMQOIALSJIRZML-BBTUJRGHSA-N 1 0 383.540 3.718 10 30 GHEERO COc1ccc(C[NH2+]CC[C@@H]2c3ccccc3NC2=O)cc1OCCCC#N ZINC000194938127 888632633 /nfs/dbraw/zinc/63/26/33/888632633.db2.gz KIQUTRRDVYFGML-GOSISDBHSA-N 1 0 379.460 3.593 10 30 GHEERO O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000329361051 834915738 /nfs/dbraw/zinc/91/57/38/834915738.db2.gz IIMMMEZHYFTDGN-QGZVFWFLSA-N 1 0 399.882 3.697 10 30 GHEERO CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000330089604 839363185 /nfs/dbraw/zinc/36/31/85/839363185.db2.gz OWILKGFLMRANTJ-KRWDZBQOSA-N 1 0 389.565 3.987 10 30 GHEERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329568327 861672667 /nfs/dbraw/zinc/67/26/67/861672667.db2.gz HZVICONDBJISJF-KSSFIOAISA-N 1 0 389.521 3.596 10 30 GHEERO CCc1nccn1[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329695547 862098893 /nfs/dbraw/zinc/09/88/93/862098893.db2.gz XOOGBLMUXBRKAE-SFHVURJKSA-N 1 0 375.561 3.651 10 30 GHEERO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000330187703 862646593 /nfs/dbraw/zinc/64/65/93/862646593.db2.gz TZERBXLJFHRHHD-LBUQITIBSA-N 1 0 395.507 3.773 10 30 GHEERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccc(F)cc2C1 ZINC000185352554 883439661 /nfs/dbraw/zinc/43/96/61/883439661.db2.gz KHPBKCFIPWQZNN-QHCPKHFHSA-N 1 0 394.494 3.759 10 30 GHEERO Cc1cc(C)c(N2CC[C@@H]([n+]3ccn(C)c3C(=O)c3cccs3)C2=O)c(C)c1 ZINC000188685941 883869991 /nfs/dbraw/zinc/86/99/91/883869991.db2.gz BSBAHSVTXLVJFB-QGZVFWFLSA-N 1 0 394.520 3.508 10 30 GHEERO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)sc2C1 ZINC000329377131 861348739 /nfs/dbraw/zinc/34/87/39/861348739.db2.gz LWKPKADPOJUWJO-PMPSAXMXSA-N 1 0 386.565 3.891 10 30 GHEERO Cc1ccccc1[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330282255 862721048 /nfs/dbraw/zinc/72/10/48/862721048.db2.gz AMQOIALSJIRZML-LVCYWYKZSA-N 1 0 383.540 3.718 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000329188090 861117229 /nfs/dbraw/zinc/11/72/29/861117229.db2.gz QYQPPQAFOVTIMV-IEBWSBKVSA-N 1 0 384.524 3.918 10 30 GHEERO N#CCCn1cc(C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000246940392 891325069 /nfs/dbraw/zinc/32/50/69/891325069.db2.gz UCVNPBWZRDGGGI-AVRDEDQJSA-N 1 0 390.531 3.686 10 30 GHEERO CC[C@@H](C)C(=O)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309703 521904474 /nfs/dbraw/zinc/90/44/74/521904474.db2.gz UREFLCFUSVYYKC-QGZVFWFLSA-N 1 0 391.519 3.925 10 30 GHEERO CCOC(=O)Nc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cc1C#N ZINC000180745292 837513526 /nfs/dbraw/zinc/51/35/26/837513526.db2.gz MIXHJJCNUQSJND-UHFFFAOYSA-N 1 0 379.464 3.598 10 30 GHEERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCOc2ccc(Cl)cc21 ZINC000329597371 861733729 /nfs/dbraw/zinc/73/37/29/861733729.db2.gz WAHDUIODGKDZPP-UHOSZYNNSA-N 1 0 392.927 3.931 10 30 GHEERO CC(C)[C@@H](C(=O)NC1CCC(C(=O)N2CCSCC2)CC1)[NH+]1CCCCC1 ZINC000329085748 847771223 /nfs/dbraw/zinc/77/12/23/847771223.db2.gz GMGAHAUOBKKTOU-ACBHZAAOSA-N 1 0 395.613 3.588 10 30 GHEERO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000330324711 862907414 /nfs/dbraw/zinc/90/74/14/862907414.db2.gz IRNSEGLZMPEOGV-SLYNCCJLSA-N 1 0 383.540 3.718 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNc2ccc(Br)cc2C#N)CCC[N@@H+]1C ZINC000328943005 860262003 /nfs/dbraw/zinc/26/20/03/860262003.db2.gz LMQILEFVLVMQGE-SCLBCKFNSA-N 1 0 388.313 3.549 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000329211477 861150029 /nfs/dbraw/zinc/15/00/29/861150029.db2.gz ZGHHVVJXUPVYOQ-JENIJYKNSA-N 1 0 375.561 3.618 10 30 GHEERO COc1ccc(C[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1OCCCC#N ZINC000116924624 873792624 /nfs/dbraw/zinc/79/26/24/873792624.db2.gz GFBGZCJXWSZHBT-UHFFFAOYSA-N 1 0 394.519 3.840 10 30 GHEERO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328914405 842886436 /nfs/dbraw/zinc/88/64/36/842886436.db2.gz IXFOKJJVTOWNDS-SQNIBIBYSA-N 1 0 377.916 3.678 10 30 GHEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000328663053 854495031 /nfs/dbraw/zinc/49/50/31/854495031.db2.gz AWLFYPJIGSGPLN-BVBHFADKSA-N 1 0 388.508 3.697 10 30 GHEERO CCN(C(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328720827 854503055 /nfs/dbraw/zinc/50/30/55/854503055.db2.gz WJHHMFYDPNVVQA-RBUKOAKNSA-N 1 0 384.524 3.538 10 30 GHEERO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cccs1 ZINC000330320410 862901384 /nfs/dbraw/zinc/90/13/84/862901384.db2.gz FBMOQBVPSMZPHS-VDZJLULYSA-N 1 0 389.569 3.862 10 30 GHEERO CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000330334013 862977173 /nfs/dbraw/zinc/97/71/73/862977173.db2.gz QFECSLJWKZGCNZ-PIKOESSRSA-N 1 0 375.561 3.618 10 30 GHEERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000116067322 873264713 /nfs/dbraw/zinc/26/47/13/873264713.db2.gz CPMFDMZXCXYLDH-VSRDTVRMSA-N 1 0 389.499 3.944 10 30 GHEERO Cc1cc(C)c(N2CC[C@H]([n+]3ccn(C)c3C(=O)c3cccs3)C2=O)c(C)c1 ZINC000188685919 883869878 /nfs/dbraw/zinc/86/98/78/883869878.db2.gz BSBAHSVTXLVJFB-KRWDZBQOSA-N 1 0 394.520 3.508 10 30 GHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c2c1 ZINC000333662446 902255257 /nfs/dbraw/zinc/25/52/57/902255257.db2.gz LUFTUXDFKBUWHH-NQIIRXRSSA-N 1 0 384.911 3.791 10 30 GHEERO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([N@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000407987184 838403615 /nfs/dbraw/zinc/40/36/15/838403615.db2.gz WWIUFSKVFAFUEG-OAHLLOKOSA-N 1 0 384.911 3.758 10 30 GHEERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000328720471 854502894 /nfs/dbraw/zinc/50/28/94/854502894.db2.gz QPZSNBBVVDOXDN-YEXOJATBSA-N 1 0 398.482 3.671 10 30 GHEERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2C)C1 ZINC000330127539 862597943 /nfs/dbraw/zinc/59/79/43/862597943.db2.gz JCBAVOWALNLIDH-WFXMLNOXSA-N 1 0 382.508 3.699 10 30 GHEERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000246786535 857461889 /nfs/dbraw/zinc/46/18/89/857461889.db2.gz AAQRWKAYLNZCIF-IFXJQAMLSA-N 1 0 383.883 3.639 10 30 GHEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)Nc1cccc2c1CCCC2 ZINC000330338403 862987786 /nfs/dbraw/zinc/98/77/86/862987786.db2.gz VIZMMRSSVPSVSV-PGRDOPGGSA-N 1 0 395.551 3.859 10 30 GHEERO C=CCC[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000091868126 882192438 /nfs/dbraw/zinc/19/24/38/882192438.db2.gz XCTJDWRMJLKTSJ-YADHBBJMSA-N 1 0 384.568 3.505 10 30 GHEERO Cc1cccc(C)c1NC(=O)C[N+](C)(C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000002038041 717094753 /nfs/dbraw/zinc/09/47/53/717094753.db2.gz CDUXEPFCRIVUQS-LJQANCHMSA-O 1 0 382.528 3.962 10 30 GHEERO COCc1cccc2sc(=NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)[nH]c21 ZINC000329832229 834822298 /nfs/dbraw/zinc/82/22/98/834822298.db2.gz KIRIFDAMCSMKPQ-UHFFFAOYSA-N 1 0 388.537 3.939 10 30 GHEERO Cc1ccc(N2CCC([NH2+]Cc3cccn3Cc3ccccc3C#N)CC2)nc1 ZINC000188023487 835354160 /nfs/dbraw/zinc/35/41/60/835354160.db2.gz WQXLQYUCWZHSOO-UHFFFAOYSA-N 1 0 385.515 3.870 10 30 GHEERO C[C@H](CNC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CCCCC1=O ZINC000328788442 841414958 /nfs/dbraw/zinc/41/49/58/841414958.db2.gz XRZXYYYWXPPWRH-XQFWAAQXSA-N 1 0 383.536 3.646 10 30 GHEERO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCCCCC1 ZINC000328887813 842821237 /nfs/dbraw/zinc/82/12/37/842821237.db2.gz PTODPLASGAUVIR-INIZCTEOSA-N 1 0 377.554 3.964 10 30 GHEERO Cn1nccc1[C@H]1[C@H](CNc2cccc(Br)c2C#N)CCC[N@@H+]1C ZINC000329723634 860421409 /nfs/dbraw/zinc/42/14/09/860421409.db2.gz NSJLKBAGGOATCA-SCLBCKFNSA-N 1 0 388.313 3.549 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000329188092 861118249 /nfs/dbraw/zinc/11/82/49/861118249.db2.gz QYQPPQAFOVTIMV-PKOBYXMFSA-N 1 0 384.524 3.918 10 30 GHEERO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000066533868 891123949 /nfs/dbraw/zinc/12/39/49/891123949.db2.gz SQGMMVQOMFTJSQ-KRWDZBQOSA-N 1 0 386.565 3.580 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)Nc1sccc1C#N ZINC000249711484 717165005 /nfs/dbraw/zinc/16/50/05/717165005.db2.gz WQWNXRAUGJFBDO-XMMPIXPASA-O 1 0 397.480 3.826 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329188584 834525963 /nfs/dbraw/zinc/52/59/63/834525963.db2.gz RCBSOZVCOZXXEF-LJQANCHMSA-N 1 0 384.524 3.918 10 30 GHEERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329568326 861673382 /nfs/dbraw/zinc/67/33/82/861673382.db2.gz HZVICONDBJISJF-KDOFPFPSSA-N 1 0 389.521 3.596 10 30 GHEERO O=C(Nc1ccc(N2CCCCC2)c2ncccc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329914649 862417949 /nfs/dbraw/zinc/41/79/49/862417949.db2.gz PETZVPWNAMNPQJ-QGZVFWFLSA-N 1 0 379.508 3.551 10 30 GHEERO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCc4cncnc4C3)sc2C1 ZINC000329168608 861093333 /nfs/dbraw/zinc/09/33/33/861093333.db2.gz JEBPNJSRBXZFNT-CYBMUJFWSA-N 1 0 381.505 3.571 10 30 GHEERO C[NH+]1CCC2(CC1)C[C@H](NC(=O)/C=C/c1cccc(C#N)c1)c1ccccc1O2 ZINC000193931628 887859640 /nfs/dbraw/zinc/85/96/40/887859640.db2.gz OPBBXWVOKGENSM-GLCJEOIMSA-N 1 0 387.483 3.676 10 30 GHEERO N#CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248198241 891416136 /nfs/dbraw/zinc/41/61/36/891416136.db2.gz XUAXKIINXMUJBX-RBBKRZOGSA-N 1 0 389.499 3.716 10 30 GHEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000329618728 835432779 /nfs/dbraw/zinc/43/27/79/835432779.db2.gz QPGWKLNAIWLSMN-QAPCUYQASA-N 1 0 375.900 3.666 10 30 GHEERO C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000328667651 854496471 /nfs/dbraw/zinc/49/64/71/854496471.db2.gz KYRXKVWLDIICPI-RDJZCZTQSA-N 1 0 390.503 3.884 10 30 GHEERO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000328810113 854544376 /nfs/dbraw/zinc/54/43/76/854544376.db2.gz MGPRVGPXMLCJRM-DYESRHJHSA-N 1 0 395.551 3.944 10 30 GHEERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccn1Cc1ccccc1C#N ZINC000249856639 856519654 /nfs/dbraw/zinc/51/96/54/856519654.db2.gz QFFSANMAMHQZOS-CJFMBICVSA-N 1 0 399.542 3.803 10 30 GHEERO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)o2)cc1 ZINC000246486621 857389778 /nfs/dbraw/zinc/38/97/78/857389778.db2.gz GVRPPLLHDSLVRH-VQTJNVASSA-N 1 0 392.434 3.835 10 30 GHEERO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000114686067 858167764 /nfs/dbraw/zinc/16/77/64/858167764.db2.gz ISOFYFHSJBMLEX-UHFFFAOYSA-N 1 0 389.499 3.838 10 30 GHEERO C[C@@H]1CCC[C@H](NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[C@H]1C ZINC000329113204 861031310 /nfs/dbraw/zinc/03/13/10/861031310.db2.gz HIJJDXXZBZZRPX-NOYKIMNZSA-N 1 0 389.588 3.516 10 30 GHEERO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116569180 886367115 /nfs/dbraw/zinc/36/71/15/886367115.db2.gz MHIOALZPXBONOD-REWPJTCUSA-N 1 0 392.547 3.732 10 30 GHEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329552196 861649835 /nfs/dbraw/zinc/64/98/35/861649835.db2.gz CYXIWCOZXOKXLU-YRPNKDGESA-N 1 0 385.556 3.691 10 30 GHEERO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(-c2ccc(C#N)cc2)n1 ZINC000245976126 857208900 /nfs/dbraw/zinc/20/89/00/857208900.db2.gz OSOAXQBQJMHAPP-WOJBJXKFSA-N 1 0 376.460 3.640 10 30 GHEERO Cc1sc(NC(=O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)c(C#N)c1C ZINC000246477568 891271791 /nfs/dbraw/zinc/27/17/91/891271791.db2.gz HHZAGLXLIBBWSA-GOEBONIOSA-N 1 0 389.546 3.825 10 30 GHEERO [NH2+]=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)NC1CCCCC1 ZINC000104179230 904549009 /nfs/dbraw/zinc/54/90/09/904549009.db2.gz NMNZVFHRCUYLPT-UHFFFAOYSA-N 1 0 383.458 3.991 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)NCc1cccs1 ZINC000249698488 717164544 /nfs/dbraw/zinc/16/45/44/717164544.db2.gz CRXRVERTWNFBPS-QHCPKHFHSA-O 1 0 386.497 3.632 10 30 GHEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)Nc1ccccc1OC ZINC000249702037 717164637 /nfs/dbraw/zinc/16/46/37/717164637.db2.gz IXFZAECCXJFXOG-VWLOTQADSA-O 1 0 396.467 3.901 10 30 GHEERO CCOc1ccccc1[C@H](CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)NC(C)=O ZINC000329629806 835467212 /nfs/dbraw/zinc/46/72/12/835467212.db2.gz HSHGEURVIJGEHZ-KPFFTGBYSA-N 1 0 387.524 3.578 10 30 GHEERO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000189829811 838417151 /nfs/dbraw/zinc/41/71/51/838417151.db2.gz MDHHMSPJJWXRKZ-QHCPKHFHSA-N 1 0 379.504 3.568 10 30 GHEERO Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)c(C)c1S(=O)(=O)NC1CC1 ZINC000330208671 839331202 /nfs/dbraw/zinc/33/12/02/839331202.db2.gz BFEZXOXEVZCSSZ-HNNXBMFYSA-N 1 0 393.553 3.597 10 30 GHEERO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCCCNC3=O)cc2)C[C@H](C)O1 ZINC000329243601 861194642 /nfs/dbraw/zinc/19/46/42/861194642.db2.gz PFUXLCLVYZXFQU-QKLQHJQFSA-N 1 0 387.524 3.899 10 30 GHEERO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCCCNC3=O)cc2)C[C@@H](C)O1 ZINC000329243599 861194747 /nfs/dbraw/zinc/19/47/47/861194747.db2.gz PFUXLCLVYZXFQU-HLIPFELVSA-N 1 0 387.524 3.899 10 30 GHEERO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H]4CCC[N@@H+]4C[C@H]3C)sc2C1 ZINC000329377127 861349188 /nfs/dbraw/zinc/34/91/88/861349188.db2.gz LWKPKADPOJUWJO-BZUAXINKSA-N 1 0 386.565 3.891 10 30 GHEERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000328700564 854514945 /nfs/dbraw/zinc/51/49/45/854514945.db2.gz ISUXUGPMEUVBJQ-HKBOAZHASA-N 1 0 385.552 3.582 10 30 GHEERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328981996 854640672 /nfs/dbraw/zinc/64/06/72/854640672.db2.gz YJPBDGHOBOZWGB-XLBJILASSA-N 1 0 382.508 3.680 10 30 GHEERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000330341987 859393193 /nfs/dbraw/zinc/39/31/93/859393193.db2.gz ZZVUHRSVYOXFDX-RAUXBKROSA-N 1 0 375.561 3.618 10 30 GHEERO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000245503342 888809077 /nfs/dbraw/zinc/80/90/77/888809077.db2.gz HWUMWEKIIGDMQY-HXUWFJFHSA-N 1 0 392.551 3.734 10 30 GHEERO CCCCCCCC(=O)O[C@H](CN1CCCC1=O)C[N+]1(C)CCCCCC1 ZINC000103602542 519966245 /nfs/dbraw/zinc/96/62/45/519966245.db2.gz YOJSOZXRVPMQHQ-HXUWFJFHSA-N 1 0 381.581 3.902 10 30 GHEERO